smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001266540631 895289448 /nfs/dbraw/zinc/28/94/48/895289448.db2.gz ARWISCVUTDHORA-HNNXBMFYSA-N 2 2 285.391 1.834 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001480883106 895324105 /nfs/dbraw/zinc/32/41/05/895324105.db2.gz DTJXZSCARSXEBO-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001480883106 895324116 /nfs/dbraw/zinc/32/41/16/895324116.db2.gz DTJXZSCARSXEBO-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266819623 896118196 /nfs/dbraw/zinc/11/81/96/896118196.db2.gz CGTAUOTZCGRTDK-ZDUSSCGKSA-N 2 2 276.384 1.275 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001266874956 896260808 /nfs/dbraw/zinc/26/08/08/896260808.db2.gz ULOSOMOJJOTPMD-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCCCCC ZINC001267712554 899347123 /nfs/dbraw/zinc/34/71/23/899347123.db2.gz BHYNWFRQWRRKIK-HOTGVXAUSA-N 2 2 293.455 1.970 10 30 CDEELP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCCCCC ZINC001267712554 899347132 /nfs/dbraw/zinc/34/71/32/899347132.db2.gz BHYNWFRQWRRKIK-HOTGVXAUSA-N 2 2 293.455 1.970 10 30 CDEELP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCCCCC ZINC001267712554 899347145 /nfs/dbraw/zinc/34/71/45/899347145.db2.gz BHYNWFRQWRRKIK-HOTGVXAUSA-N 2 2 293.455 1.970 10 30 CDEELP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCCCCC ZINC001267712554 899347155 /nfs/dbraw/zinc/34/71/55/899347155.db2.gz BHYNWFRQWRRKIK-HOTGVXAUSA-N 2 2 293.455 1.970 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481461534 900767005 /nfs/dbraw/zinc/76/70/05/900767005.db2.gz DOHXUEBWSNSWCB-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481461534 900767014 /nfs/dbraw/zinc/76/70/14/900767014.db2.gz DOHXUEBWSNSWCB-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001268384962 901969564 /nfs/dbraw/zinc/96/95/64/901969564.db2.gz SFYXTYRGRQAABX-ZDUSSCGKSA-N 2 2 264.373 1.334 10 30 CDEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269784527 904111605 /nfs/dbraw/zinc/11/16/05/904111605.db2.gz HMANPCDTBHSMCP-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C#CC[NH2+]CCN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273458057 909589488 /nfs/dbraw/zinc/58/94/88/909589488.db2.gz MLWJAJFFOWUWRP-UHFFFAOYSA-N 2 2 270.336 1.248 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001483241067 910720161 /nfs/dbraw/zinc/72/01/61/910720161.db2.gz XTXTYKFLRHQNCF-LBPRGKRZSA-N 2 2 278.400 1.597 10 30 CDEELP C#CC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001568043916 1169126146 /nfs/dbraw/zinc/12/61/46/1169126146.db2.gz QMVGXRAPQBECID-GOEBONIOSA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484175683 915492694 /nfs/dbraw/zinc/49/26/94/915492694.db2.gz SUMOHZHSMCAVKY-HNNXBMFYSA-N 2 2 276.384 1.357 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001484351355 915660034 /nfs/dbraw/zinc/66/00/34/915660034.db2.gz BPSSWJSPQGHKGB-QWHCGFSZSA-N 2 2 288.395 1.147 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001486082433 920683727 /nfs/dbraw/zinc/68/37/27/920683727.db2.gz CHCQRBLULNBYFQ-GXTWGEPZSA-N 2 2 296.374 1.779 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001568498300 1169330187 /nfs/dbraw/zinc/33/01/87/1169330187.db2.gz AVQBIVIPOITDJY-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001568498300 1169330198 /nfs/dbraw/zinc/33/01/98/1169330198.db2.gz AVQBIVIPOITDJY-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001568498300 1169330208 /nfs/dbraw/zinc/33/02/08/1169330208.db2.gz AVQBIVIPOITDJY-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001568498300 1169330216 /nfs/dbraw/zinc/33/02/16/1169330216.db2.gz AVQBIVIPOITDJY-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275310049 931730990 /nfs/dbraw/zinc/73/09/90/931730990.db2.gz XSTZZDCWSNGRQB-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP CC#CC[N@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275828126 932072906 /nfs/dbraw/zinc/07/29/06/932072906.db2.gz SXEPZOCUQLNVCW-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275828126 932072911 /nfs/dbraw/zinc/07/29/11/932072911.db2.gz SXEPZOCUQLNVCW-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273455975 932852450 /nfs/dbraw/zinc/85/24/50/932852450.db2.gz CSYHUYAAMXJSSQ-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273455975 932852456 /nfs/dbraw/zinc/85/24/56/932852456.db2.gz CSYHUYAAMXJSSQ-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273455975 932852458 /nfs/dbraw/zinc/85/24/58/932852458.db2.gz CSYHUYAAMXJSSQ-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273455975 932852462 /nfs/dbraw/zinc/85/24/62/932852462.db2.gz CSYHUYAAMXJSSQ-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001568685778 1169430624 /nfs/dbraw/zinc/43/06/24/1169430624.db2.gz ALDKHZVQCPVQDK-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001568685778 1169430630 /nfs/dbraw/zinc/43/06/30/1169430630.db2.gz ALDKHZVQCPVQDK-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001280139238 942419922 /nfs/dbraw/zinc/41/99/22/942419922.db2.gz GGBKERHECOIHJJ-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284027657 943054236 /nfs/dbraw/zinc/05/42/36/943054236.db2.gz XDBCQRLUZZPXCX-OCCSQVGLSA-N 2 2 290.411 1.806 10 30 CDEELP C=CC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001284700617 943245460 /nfs/dbraw/zinc/24/54/60/943245460.db2.gz ZJKJUQQJEGNNLJ-GFCCVEGCSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265002451 944198182 /nfs/dbraw/zinc/19/81/82/944198182.db2.gz GRCVPLSUWYZHPL-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265002451 944198185 /nfs/dbraw/zinc/19/81/85/944198185.db2.gz GRCVPLSUWYZHPL-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1CC ZINC001479645306 971355897 /nfs/dbraw/zinc/35/58/97/971355897.db2.gz NQBXJRHUAUVAGP-LSDHHAIUSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1CC ZINC001479645306 971355900 /nfs/dbraw/zinc/35/59/00/971355900.db2.gz NQBXJRHUAUVAGP-LSDHHAIUSA-N 2 2 290.411 1.508 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001317020914 957208868 /nfs/dbraw/zinc/20/88/68/957208868.db2.gz WLROKTCSEJFRDH-CQSZACIVSA-N 2 2 296.374 1.456 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332183157 957469586 /nfs/dbraw/zinc/46/95/86/957469586.db2.gz AUQQIKHCCCZADI-DZGCQCFKSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001332183157 957469590 /nfs/dbraw/zinc/46/95/90/957469590.db2.gz AUQQIKHCCCZADI-DZGCQCFKSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001332183157 957469594 /nfs/dbraw/zinc/46/95/94/957469594.db2.gz AUQQIKHCCCZADI-DZGCQCFKSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001332183157 957469598 /nfs/dbraw/zinc/46/95/98/957469598.db2.gz AUQQIKHCCCZADI-DZGCQCFKSA-N 2 2 288.395 1.335 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317452173 957484152 /nfs/dbraw/zinc/48/41/52/957484152.db2.gz WTHZRXXMNMDIKT-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317452173 957484154 /nfs/dbraw/zinc/48/41/54/957484154.db2.gz WTHZRXXMNMDIKT-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001494840644 972320671 /nfs/dbraw/zinc/32/06/71/972320671.db2.gz ZQBBAZJYXLLBJI-ZDUSSCGKSA-N 2 2 276.384 1.071 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001494840644 972320673 /nfs/dbraw/zinc/32/06/73/972320673.db2.gz ZQBBAZJYXLLBJI-ZDUSSCGKSA-N 2 2 276.384 1.071 10 30 CDEELP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001494852683 972322710 /nfs/dbraw/zinc/32/27/10/972322710.db2.gz NRDMMQXQOXGVQD-HIFRSBDPSA-N 2 2 288.395 1.144 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001494852683 972322714 /nfs/dbraw/zinc/32/27/14/972322714.db2.gz NRDMMQXQOXGVQD-HIFRSBDPSA-N 2 2 288.395 1.144 10 30 CDEELP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494852683 972322715 /nfs/dbraw/zinc/32/27/15/972322715.db2.gz NRDMMQXQOXGVQD-HIFRSBDPSA-N 2 2 288.395 1.144 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494852683 972322718 /nfs/dbraw/zinc/32/27/18/972322718.db2.gz NRDMMQXQOXGVQD-HIFRSBDPSA-N 2 2 288.395 1.144 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001321532824 959838090 /nfs/dbraw/zinc/83/80/90/959838090.db2.gz PUMPMZJYJOMFTE-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001321532824 959838105 /nfs/dbraw/zinc/83/81/05/959838105.db2.gz PUMPMZJYJOMFTE-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001322554736 960259763 /nfs/dbraw/zinc/25/97/63/960259763.db2.gz LDYNQSLEOQPZCF-VXGBXAGGSA-N 2 2 262.357 1.137 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001322554736 960259774 /nfs/dbraw/zinc/25/97/74/960259774.db2.gz LDYNQSLEOQPZCF-VXGBXAGGSA-N 2 2 262.357 1.137 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001349822081 966485174 /nfs/dbraw/zinc/48/51/74/966485174.db2.gz FDKSTMTVBQBRCJ-CQSZACIVSA-N 2 2 289.383 1.458 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cnc(N(C)C)s2)CC1 ZINC001461159870 969603081 /nfs/dbraw/zinc/60/30/81/969603081.db2.gz KRBFARYRLDTGIT-UHFFFAOYSA-N 2 2 280.441 1.949 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496082114 972788651 /nfs/dbraw/zinc/78/86/51/972788651.db2.gz XMAWMSBGHNGPMA-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496082114 972788660 /nfs/dbraw/zinc/78/86/60/972788660.db2.gz XMAWMSBGHNGPMA-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCC[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001496607560 972987940 /nfs/dbraw/zinc/98/79/40/972987940.db2.gz MEVMBKJFESXZNV-CYBMUJFWSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001499853898 974314620 /nfs/dbraw/zinc/31/46/20/974314620.db2.gz QBKAYYBKLAHDQJ-GXTWGEPZSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001506010160 975084047 /nfs/dbraw/zinc/08/40/47/975084047.db2.gz QZLYDHGIIIRLGO-KGLIPLIRSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001506010160 975084052 /nfs/dbraw/zinc/08/40/52/975084052.db2.gz QZLYDHGIIIRLGO-KGLIPLIRSA-N 2 2 278.400 1.847 10 30 CDEELP C=C(C)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001506744457 975213181 /nfs/dbraw/zinc/21/31/81/975213181.db2.gz OHYQQRBMMUDTAH-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001674759095 1174005800 /nfs/dbraw/zinc/00/58/00/1174005800.db2.gz ASETWFRMYYPWKZ-RYUDHWBXSA-N 2 2 278.400 1.710 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811407 1174293003 /nfs/dbraw/zinc/29/30/03/1174293003.db2.gz FBTMNMYDPPEONF-UHFFFAOYSA-N 2 2 250.346 1.267 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811407 1174293007 /nfs/dbraw/zinc/29/30/07/1174293007.db2.gz FBTMNMYDPPEONF-UHFFFAOYSA-N 2 2 250.346 1.267 10 30 CDEELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729471 342245649 /nfs/dbraw/zinc/24/56/49/342245649.db2.gz HGOOQPZQFZCOGY-MRVWCRGKSA-N 2 2 263.385 1.113 10 30 CDEELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729471 342245650 /nfs/dbraw/zinc/24/56/50/342245650.db2.gz HGOOQPZQFZCOGY-MRVWCRGKSA-N 2 2 263.385 1.113 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC000594923554 342988567 /nfs/dbraw/zinc/98/85/67/342988567.db2.gz ZCYJPBUUXAOWHR-KWCYVHTRSA-N 2 2 266.385 1.424 10 30 CDEELP 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/nfs/dbraw/zinc/27/08/53/1172270853.db2.gz PGDURGCOLHUEBJ-SOUVJXGZSA-N 2 2 253.434 1.955 10 30 CDEELP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352852851 374360489 /nfs/dbraw/zinc/36/04/89/374360489.db2.gz KXNZMVMCTYFWIF-NSHDSACASA-N 2 2 264.398 1.836 10 30 CDEELP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352852851 374360494 /nfs/dbraw/zinc/36/04/94/374360494.db2.gz KXNZMVMCTYFWIF-NSHDSACASA-N 2 2 264.398 1.836 10 30 CDEELP COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1C#N ZINC000377778723 374619389 /nfs/dbraw/zinc/61/93/89/374619389.db2.gz LZZBLELDJPBPIU-ZDUSSCGKSA-N 2 2 282.347 1.937 10 30 CDEELP COc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1C#N ZINC000377778723 374619394 /nfs/dbraw/zinc/61/93/94/374619394.db2.gz LZZBLELDJPBPIU-ZDUSSCGKSA-N 2 2 282.347 1.937 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361971 376334850 /nfs/dbraw/zinc/33/48/50/376334850.db2.gz HKNDGBMBCCDWJI-MRXNPFEDSA-N 2 2 277.412 1.263 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361971 376334857 /nfs/dbraw/zinc/33/48/57/376334857.db2.gz HKNDGBMBCCDWJI-MRXNPFEDSA-N 2 2 277.412 1.263 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001662940361 1172618393 /nfs/dbraw/zinc/61/83/93/1172618393.db2.gz NTDCELSUDSACAS-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663208993 1172655295 /nfs/dbraw/zinc/65/52/95/1172655295.db2.gz CVLSFZDWZKSHPN-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663208993 1172655301 /nfs/dbraw/zinc/65/53/01/1172655301.db2.gz CVLSFZDWZKSHPN-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP COCC[N@@H+]1CCC[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425224722 392997960 /nfs/dbraw/zinc/99/79/60/392997960.db2.gz LFEFMXUQDAESEB-AWEZNQCLSA-N 2 2 274.368 1.206 10 30 CDEELP COCC[N@H+]1CCC[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425224722 392997969 /nfs/dbraw/zinc/99/79/69/392997969.db2.gz LFEFMXUQDAESEB-AWEZNQCLSA-N 2 2 274.368 1.206 10 30 CDEELP C#CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001665809288 1173065495 /nfs/dbraw/zinc/06/54/95/1173065495.db2.gz JEUQBJATLPTAKY-AWEZNQCLSA-N 2 2 290.411 1.434 10 30 CDEELP N#CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686155 175231726 /nfs/dbraw/zinc/23/17/26/175231726.db2.gz YDVJQVXRBZSMDM-CQSZACIVSA-N 2 2 271.364 1.915 10 30 CDEELP N#CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686155 175231727 /nfs/dbraw/zinc/23/17/27/175231727.db2.gz YDVJQVXRBZSMDM-CQSZACIVSA-N 2 2 271.364 1.915 10 30 CDEELP CC(C)N[C@H](C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315738 175358240 /nfs/dbraw/zinc/35/82/40/175358240.db2.gz FLXHQHLBWMSLNT-CQSZACIVSA-N 2 2 252.406 1.150 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001666991556 1173218442 /nfs/dbraw/zinc/21/84/42/1173218442.db2.gz FROJDOREFRFCOV-YNEHKIRRSA-N 2 2 276.384 1.146 10 30 CDEELP C=CC[C@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 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VCQWOYLTSYLZKW-ZDUSSCGKSA-N 2 2 274.368 1.644 10 30 CDEELP CC[NH+](CC)[C@@H]1CCN(C[C@@]([NH3+])(C#N)C2CC2)C1 ZINC000069083277 520846903 /nfs/dbraw/zinc/84/69/03/520846903.db2.gz DCHBCVFQAAGARF-KGLIPLIRSA-N 2 2 250.390 1.034 10 30 CDEELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000070181914 524672852 /nfs/dbraw/zinc/67/28/52/524672852.db2.gz IYBYRKRZAUAIKO-ZIAGYGMSSA-N 2 2 292.427 1.388 10 30 CDEELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000070181914 524672859 /nfs/dbraw/zinc/67/28/59/524672859.db2.gz IYBYRKRZAUAIKO-ZIAGYGMSSA-N 2 2 292.427 1.388 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001688915128 1175065414 /nfs/dbraw/zinc/06/54/14/1175065414.db2.gz QZZXKDDNEKXEDR-BETUJISGSA-N 2 2 276.384 1.023 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001689321228 1175145113 /nfs/dbraw/zinc/14/51/13/1175145113.db2.gz ZHLMGNSLOJPXFF-KFWWJZLASA-N 2 2 288.395 1.437 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001689321228 1175145115 /nfs/dbraw/zinc/14/51/15/1175145115.db2.gz ZHLMGNSLOJPXFF-KFWWJZLASA-N 2 2 288.395 1.437 10 30 CDEELP C=C1CCC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000898670294 621837344 /nfs/dbraw/zinc/83/73/44/621837344.db2.gz WDLWSRJWQVKKEI-UHFFFAOYSA-N 2 2 281.444 1.733 10 30 CDEELP C=C1CCC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000898670294 621837345 /nfs/dbraw/zinc/83/73/45/621837345.db2.gz WDLWSRJWQVKKEI-UHFFFAOYSA-N 2 2 281.444 1.733 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000901117910 623876101 /nfs/dbraw/zinc/87/61/01/623876101.db2.gz MJCBNRABFPNSGS-UHFFFAOYSA-N 2 2 264.373 1.240 10 30 CDEELP N#CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925619818 679167885 /nfs/dbraw/zinc/16/78/85/679167885.db2.gz BNKVHESUKOSKJL-HNNXBMFYSA-N 2 2 271.364 1.963 10 30 CDEELP N#Cc1ccc([C@H](O)C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923390703 679645640 /nfs/dbraw/zinc/64/56/40/679645640.db2.gz CJZACGYCVQWNRA-ARWYELJZSA-N 2 2 285.391 1.795 10 30 CDEELP N#Cc1ccc([C@H](O)C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923390703 679645641 /nfs/dbraw/zinc/64/56/41/679645641.db2.gz CJZACGYCVQWNRA-ARWYELJZSA-N 2 2 285.391 1.795 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001566799407 1168427298 /nfs/dbraw/zinc/42/72/98/1168427298.db2.gz DMCXRYDXGCKSTD-JOCQHMNTSA-N 2 2 262.357 1.086 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001566941032 1168475637 /nfs/dbraw/zinc/47/56/37/1168475637.db2.gz YSSQZZVTGRLFKD-BFHYXJOUSA-N 2 2 288.395 1.670 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001566941032 1168475639 /nfs/dbraw/zinc/47/56/39/1168475639.db2.gz YSSQZZVTGRLFKD-BFHYXJOUSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1 ZINC001567857209 1169027032 /nfs/dbraw/zinc/02/70/32/1169027032.db2.gz WLZVZQFTUVDNSA-GJZGRUSLSA-N 2 2 288.395 1.594 10 30 CDEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1 ZINC001567857209 1169027041 /nfs/dbraw/zinc/02/70/41/1169027041.db2.gz WLZVZQFTUVDNSA-GJZGRUSLSA-N 2 2 288.395 1.594 10 30 CDEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]c[nH]1 ZINC001567857209 1169027050 /nfs/dbraw/zinc/02/70/50/1169027050.db2.gz WLZVZQFTUVDNSA-GJZGRUSLSA-N 2 2 288.395 1.594 10 30 CDEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]c[nH]1 ZINC001567857209 1169027061 /nfs/dbraw/zinc/02/70/61/1169027061.db2.gz WLZVZQFTUVDNSA-GJZGRUSLSA-N 2 2 288.395 1.594 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568176420 1169161952 /nfs/dbraw/zinc/16/19/52/1169161952.db2.gz HINOILMJOOEFEM-YNEHKIRRSA-N 2 2 276.384 1.431 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568176420 1169161958 /nfs/dbraw/zinc/16/19/58/1169161958.db2.gz HINOILMJOOEFEM-YNEHKIRRSA-N 2 2 276.384 1.431 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001571310930 1170363751 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PGMXWGZVDXSSLI-CYBMUJFWSA-N 2 2 278.400 1.271 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001269493418 903858405 /nfs/dbraw/zinc/85/84/05/903858405.db2.gz XLFCDPODUHEGIY-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001270744984 905009281 /nfs/dbraw/zinc/00/92/81/905009281.db2.gz SBDQUABGZRSPON-QGZVFWFLSA-N 2 2 296.374 1.638 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335985 905101818 /nfs/dbraw/zinc/10/18/18/905101818.db2.gz QTBTYDADTSYNJM-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001271456673 906457096 /nfs/dbraw/zinc/45/70/96/906457096.db2.gz FSJPUTKOYILEJE-UONOGXRCSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001567917949 1169067439 /nfs/dbraw/zinc/06/74/39/1169067439.db2.gz YHJMROIZLSZKKV-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001567917949 1169067445 /nfs/dbraw/zinc/06/74/45/1169067445.db2.gz YHJMROIZLSZKKV-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001568033182 1169125276 /nfs/dbraw/zinc/12/52/76/1169125276.db2.gz DOSKWNBEBPIJDW-INIZCTEOSA-N 2 2 290.411 1.724 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483494836 911189277 /nfs/dbraw/zinc/18/92/77/911189277.db2.gz VDDSHXLOMKTCPI-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001491179619 936869526 /nfs/dbraw/zinc/86/95/26/936869526.db2.gz LSZXOIQBZOFOLA-ZDUSSCGKSA-N 2 2 290.411 1.702 10 30 CDEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001410263855 925477459 /nfs/dbraw/zinc/47/74/59/925477459.db2.gz FDUNMUVBHNGNAX-CYBMUJFWSA-N 2 2 298.818 1.825 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001265095195 944227460 /nfs/dbraw/zinc/22/74/60/944227460.db2.gz RFFRRKDQWROESX-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265707910 944477204 /nfs/dbraw/zinc/47/72/04/944477204.db2.gz GZMNFPQPMUDSQX-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265707910 944477208 /nfs/dbraw/zinc/47/72/08/944477208.db2.gz GZMNFPQPMUDSQX-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001279005773 948561869 /nfs/dbraw/zinc/56/18/69/948561869.db2.gz DWXXSSQKQNJLOG-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001279005773 948561878 /nfs/dbraw/zinc/56/18/78/948561878.db2.gz DWXXSSQKQNJLOG-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001279015684 948600871 /nfs/dbraw/zinc/60/08/71/948600871.db2.gz VJJRQSAQRUARMI-LBPRGKRZSA-N 2 2 276.384 1.096 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001480488941 971753337 /nfs/dbraw/zinc/75/33/37/971753337.db2.gz BUOVDAUVXZKFRC-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001326844551 954584286 /nfs/dbraw/zinc/58/42/86/954584286.db2.gz QVHMMSVMVYVFNM-UHFFFAOYSA-N 2 2 284.363 1.991 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001492304798 955786750 /nfs/dbraw/zinc/78/67/50/955786750.db2.gz ZHYBXMRMXLJCBL-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001492304798 955786758 /nfs/dbraw/zinc/78/67/58/955786758.db2.gz ZHYBXMRMXLJCBL-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001492304798 955786767 /nfs/dbraw/zinc/78/67/67/955786767.db2.gz ZHYBXMRMXLJCBL-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001492304798 955786776 /nfs/dbraw/zinc/78/67/76/955786776.db2.gz ZHYBXMRMXLJCBL-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001492313872 955795235 /nfs/dbraw/zinc/79/52/35/955795235.db2.gz VSVIYTYLTJSGGT-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001492313872 955795247 /nfs/dbraw/zinc/79/52/47/955795247.db2.gz VSVIYTYLTJSGGT-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001366224618 956646947 /nfs/dbraw/zinc/64/69/47/956646947.db2.gz FRRSUANDHWZYPG-CYBMUJFWSA-N 2 2 296.802 1.606 10 30 CDEELP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317396599 957451628 /nfs/dbraw/zinc/45/16/28/957451628.db2.gz PJJPGCLWBXVHEQ-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317396599 957451635 /nfs/dbraw/zinc/45/16/35/957451635.db2.gz PJJPGCLWBXVHEQ-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425054837 957457342 /nfs/dbraw/zinc/45/73/42/957457342.db2.gz KMWVANJCQONELX-GFCCVEGCSA-N 2 2 285.819 1.271 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425054837 957457345 /nfs/dbraw/zinc/45/73/45/957457345.db2.gz KMWVANJCQONELX-GFCCVEGCSA-N 2 2 285.819 1.271 10 30 CDEELP C#CC[NH2+][C@@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001494982359 972361681 /nfs/dbraw/zinc/36/16/81/972361681.db2.gz XXYKLYFFQXIETH-AWEZNQCLSA-N 2 2 284.363 1.374 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001323022653 960410990 /nfs/dbraw/zinc/41/09/90/960410990.db2.gz QKHSJZARAHCOHZ-ZIAGYGMSSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492977082 968554424 /nfs/dbraw/zinc/55/44/24/968554424.db2.gz DCFFZINUNLXLDN-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492977082 968554429 /nfs/dbraw/zinc/55/44/29/968554429.db2.gz DCFFZINUNLXLDN-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001455764049 968800719 /nfs/dbraw/zinc/80/07/19/968800719.db2.gz ABJWZBGMSGRELG-ZDUSSCGKSA-N 2 2 276.384 1.808 10 30 CDEELP C#Cc1ccc(C[NH2+][C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001462591836 969698383 /nfs/dbraw/zinc/69/83/83/969698383.db2.gz BZJHRBHOFMLGCH-RHSMWYFYSA-N 2 2 271.408 1.392 10 30 CDEELP C#Cc1ccc(C[NH2+][C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001462591836 969698388 /nfs/dbraw/zinc/69/83/88/969698388.db2.gz BZJHRBHOFMLGCH-RHSMWYFYSA-N 2 2 271.408 1.392 10 30 CDEELP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492818 972940964 /nfs/dbraw/zinc/94/09/64/972940964.db2.gz ZQUOZBPOUWFLNP-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001503013300 974808305 /nfs/dbraw/zinc/80/83/05/974808305.db2.gz DKCUXHXLWNEHTG-UONOGXRCSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001503013300 974808310 /nfs/dbraw/zinc/80/83/10/974808310.db2.gz DKCUXHXLWNEHTG-UONOGXRCSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001506898418 975250604 /nfs/dbraw/zinc/25/06/04/975250604.db2.gz TWHXNCQVXBLBFT-AVGNSLFASA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001506898418 975250607 /nfs/dbraw/zinc/25/06/07/975250607.db2.gz TWHXNCQVXBLBFT-AVGNSLFASA-N 2 2 276.384 1.259 10 30 CDEELP C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001507105430 975337424 /nfs/dbraw/zinc/33/74/24/975337424.db2.gz VJWYPEDOBSYYSK-ZDUSSCGKSA-N 2 2 284.363 1.408 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001507422483 975464432 /nfs/dbraw/zinc/46/44/32/975464432.db2.gz TXCBBSLYHZYFGN-UONOGXRCSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001381978007 977107908 /nfs/dbraw/zinc/10/79/08/977107908.db2.gz WNXPPZXELUFNPC-HAQNSBGRSA-N 2 2 296.802 1.200 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001676674905 1174254602 /nfs/dbraw/zinc/25/46/02/1174254602.db2.gz OBNLRDYABHSPNV-GXTWGEPZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001676879374 1174284416 /nfs/dbraw/zinc/28/44/16/1174284416.db2.gz MLGGAVPOZROWMB-UONOGXRCSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001676879374 1174284421 /nfs/dbraw/zinc/28/44/21/1174284421.db2.gz MLGGAVPOZROWMB-UONOGXRCSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001656983242 1171910554 /nfs/dbraw/zinc/91/05/54/1171910554.db2.gz QQUCJCICEZNPCM-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000651690332 398151756 /nfs/dbraw/zinc/15/17/56/398151756.db2.gz APISXKGXCNGWJJ-KGLIPLIRSA-N 2 2 265.401 1.095 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000594436663 342899499 /nfs/dbraw/zinc/89/94/99/342899499.db2.gz PGXBZBPFVCIFHP-QWHCGFSZSA-N 2 2 289.383 1.875 10 30 CDEELP Cc1cc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc(C)[nH+]1 ZINC000594449386 342909603 /nfs/dbraw/zinc/90/96/03/342909603.db2.gz IFZOPJQWPWLHGW-CQSZACIVSA-N 2 2 274.368 1.726 10 30 CDEELP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000594956128 342983234 /nfs/dbraw/zinc/98/32/34/342983234.db2.gz USNQONCIHLFNTF-MRXNPFEDSA-N 2 2 273.380 1.411 10 30 CDEELP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000594956128 342983237 /nfs/dbraw/zinc/98/32/37/342983237.db2.gz USNQONCIHLFNTF-MRXNPFEDSA-N 2 2 273.380 1.411 10 30 CDEELP N#CC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000596651285 343371211 /nfs/dbraw/zinc/37/12/11/343371211.db2.gz LUPPPGDAVKVBAI-HUUCEWRRSA-N 2 2 277.412 1.817 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C#N)c1 ZINC000597990424 343681791 /nfs/dbraw/zinc/68/17/91/343681791.db2.gz VLVJKBGADJLWCG-UHFFFAOYSA-N 2 2 288.395 1.172 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C#N)c1 ZINC000597990424 343681793 /nfs/dbraw/zinc/68/17/93/343681793.db2.gz VLVJKBGADJLWCG-UHFFFAOYSA-N 2 2 288.395 1.172 10 30 CDEELP CCC1([NH+](C)C)CC[NH+](CCOCCC#N)CC1 ZINC000602966986 344669844 /nfs/dbraw/zinc/66/98/44/344669844.db2.gz YPDAUGYGWWVJIV-UHFFFAOYSA-N 2 2 253.390 1.723 10 30 CDEELP C=CCN1CC[C@H]([N@@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810494 365898918 /nfs/dbraw/zinc/89/89/18/365898918.db2.gz XNOWJLCIYGZCBM-RFGFWPKPSA-N 2 2 265.401 1.221 10 30 CDEELP C=CCN1CC[C@H]([N@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810494 365898923 /nfs/dbraw/zinc/89/89/23/365898923.db2.gz XNOWJLCIYGZCBM-RFGFWPKPSA-N 2 2 265.401 1.221 10 30 CDEELP C[N@@H+]1CCN(c2ccc(C#N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000122806437 347921172 /nfs/dbraw/zinc/92/11/72/347921172.db2.gz JZBCTEOMPCWZGP-GFCCVEGCSA-N 2 2 264.760 1.291 10 30 CDEELP C[N@H+]1CCN(c2ccc(C#N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000122806437 347921174 /nfs/dbraw/zinc/92/11/74/347921174.db2.gz JZBCTEOMPCWZGP-GFCCVEGCSA-N 2 2 264.760 1.291 10 30 CDEELP C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000528424835 367838561 /nfs/dbraw/zinc/83/85/61/367838561.db2.gz NNTZXJLKJZEYOK-ILXRZTDVSA-N 2 2 288.395 1.821 10 30 CDEELP C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000528424835 367838564 /nfs/dbraw/zinc/83/85/64/367838564.db2.gz NNTZXJLKJZEYOK-ILXRZTDVSA-N 2 2 288.395 1.821 10 30 CDEELP CC[C@@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000580960616 372762828 /nfs/dbraw/zinc/76/28/28/372762828.db2.gz SSNMMENYCDBJTQ-LBPRGKRZSA-N 2 2 278.400 1.011 10 30 CDEELP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661876758 1172460869 /nfs/dbraw/zinc/46/08/69/1172460869.db2.gz YKLBQZMWMLAXHF-OAHLLOKOSA-N 2 2 288.395 1.186 10 30 CDEELP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661876758 1172460878 /nfs/dbraw/zinc/46/08/78/1172460878.db2.gz YKLBQZMWMLAXHF-OAHLLOKOSA-N 2 2 288.395 1.186 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246994111 377029724 /nfs/dbraw/zinc/02/97/24/377029724.db2.gz STUVUBHINYVAIB-GJZGRUSLSA-N 2 2 281.444 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246994111 377029731 /nfs/dbraw/zinc/02/97/31/377029731.db2.gz STUVUBHINYVAIB-GJZGRUSLSA-N 2 2 281.444 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246994111 377029737 /nfs/dbraw/zinc/02/97/37/377029737.db2.gz STUVUBHINYVAIB-GJZGRUSLSA-N 2 2 281.444 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246994111 377029742 /nfs/dbraw/zinc/02/97/42/377029742.db2.gz STUVUBHINYVAIB-GJZGRUSLSA-N 2 2 281.444 1.826 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001662934443 1172617875 /nfs/dbraw/zinc/61/78/75/1172617875.db2.gz FZFKCFPQDHEOAS-LBPRGKRZSA-N 2 2 277.368 1.303 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000649353903 392088018 /nfs/dbraw/zinc/08/80/18/392088018.db2.gz NOILQJPLMREEPA-AWEZNQCLSA-N 2 2 261.369 1.449 10 30 CDEELP COc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1C#N ZINC000415080032 392851169 /nfs/dbraw/zinc/85/11/69/392851169.db2.gz XXSWHAVTJJTHON-CQSZACIVSA-N 2 2 259.353 1.799 10 30 CDEELP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001663668415 1172744806 /nfs/dbraw/zinc/74/48/06/1172744806.db2.gz SUSAMVBIWRGPAY-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001663668415 1172744813 /nfs/dbraw/zinc/74/48/13/1172744813.db2.gz SUSAMVBIWRGPAY-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[C@]1(C(=O)NCCCNc2cccc[nH+]2)CCC[NH2+]1 ZINC000662681900 413302709 /nfs/dbraw/zinc/30/27/09/413302709.db2.gz NCDPZSPBRQYFAO-MRXNPFEDSA-N 2 2 288.395 1.698 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[NH+](CCOC)CCOC ZINC000045318601 175359111 /nfs/dbraw/zinc/35/91/11/175359111.db2.gz PRPGONMXRZURFB-AWEZNQCLSA-N 2 2 271.405 1.253 10 30 CDEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000071146762 176042863 /nfs/dbraw/zinc/04/28/63/176042863.db2.gz INAVAWWFSVIQCY-CYBMUJFWSA-N 2 2 272.352 1.038 10 30 CDEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000071146762 176042865 /nfs/dbraw/zinc/04/28/65/176042865.db2.gz INAVAWWFSVIQCY-CYBMUJFWSA-N 2 2 272.352 1.038 10 30 CDEELP COCC[N@H+](CCC#N)Cc1ccc(C#CC[NH3+])cc1 ZINC000071228782 176091079 /nfs/dbraw/zinc/09/10/79/176091079.db2.gz UXNURJFGMUICHE-UHFFFAOYSA-N 2 2 271.364 1.359 10 30 CDEELP COCC[N@@H+](CCC#N)Cc1ccc(C#CC[NH3+])cc1 ZINC000071228782 176091080 /nfs/dbraw/zinc/09/10/80/176091080.db2.gz UXNURJFGMUICHE-UHFFFAOYSA-N 2 2 271.364 1.359 10 30 CDEELP COCC[N@H+](CCC#N)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000071228796 176091237 /nfs/dbraw/zinc/09/12/37/176091237.db2.gz FVGBGTWSHZYXFL-UHFFFAOYSA-N 2 2 289.354 1.498 10 30 CDEELP COCC[N@@H+](CCC#N)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000071228796 176091238 /nfs/dbraw/zinc/09/12/38/176091238.db2.gz FVGBGTWSHZYXFL-UHFFFAOYSA-N 2 2 289.354 1.498 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001671390664 1173680352 /nfs/dbraw/zinc/68/03/52/1173680352.db2.gz RHTAMUCJFBZKSM-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C[C@@H]1CN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000262425552 330009730 /nfs/dbraw/zinc/00/97/30/330009730.db2.gz CJEMYACVCDUMFL-NEPJUHHUSA-N 2 2 296.440 1.386 10 30 CDEELP C[NH+](C)CC1CC[NH+](C[C@](C#N)(NC2CC2)C2CC2)CC1 ZINC000069079728 524049486 /nfs/dbraw/zinc/04/94/86/524049486.db2.gz PXSTXEJJEBOBQV-KRWDZBQOSA-N 2 2 290.455 1.684 10 30 CDEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690199421 1175401855 /nfs/dbraw/zinc/40/18/55/1175401855.db2.gz QZKPYVTXXXHMTG-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690199421 1175401861 /nfs/dbraw/zinc/40/18/61/1175401861.db2.gz QZKPYVTXXXHMTG-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1C#N ZINC000925841330 617871854 /nfs/dbraw/zinc/87/18/54/617871854.db2.gz QLKXCEGZTZJQMG-XJKSGUPXSA-N 2 2 273.380 1.723 10 30 CDEELP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902745770 625310394 /nfs/dbraw/zinc/31/03/94/625310394.db2.gz VJDNWWOLXQGMPM-CYBMUJFWSA-N 2 2 276.384 1.572 10 30 CDEELP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902745770 625310398 /nfs/dbraw/zinc/31/03/98/625310398.db2.gz VJDNWWOLXQGMPM-CYBMUJFWSA-N 2 2 276.384 1.572 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000894863791 619107269 /nfs/dbraw/zinc/10/72/69/619107269.db2.gz SRKLCSGOBQAGEL-UHFFFAOYSA-N 2 2 277.368 1.154 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000894863791 619107270 /nfs/dbraw/zinc/10/72/70/619107270.db2.gz SRKLCSGOBQAGEL-UHFFFAOYSA-N 2 2 277.368 1.154 10 30 CDEELP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000865509987 682275031 /nfs/dbraw/zinc/27/50/31/682275031.db2.gz QACWNKLUEZZRJK-MRXNPFEDSA-N 2 2 290.411 1.026 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@H]2CC[NH2+]C23CCC3)nc1 ZINC000925893695 682462990 /nfs/dbraw/zinc/46/29/90/682462990.db2.gz QCVGTEIYSBVPRX-ZDUSSCGKSA-N 2 2 271.368 1.239 10 30 CDEELP N#Cc1cccc(OCC[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931510560 683735595 /nfs/dbraw/zinc/73/55/95/683735595.db2.gz FWVFCKFESINBSH-UHFFFAOYSA-N 2 2 294.358 1.973 10 30 CDEELP N#Cc1cccc(OCC[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931510560 683735597 /nfs/dbraw/zinc/73/55/97/683735597.db2.gz FWVFCKFESINBSH-UHFFFAOYSA-N 2 2 294.358 1.973 10 30 CDEELP C[N@@H+](Cc1cncc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000721605475 684062080 /nfs/dbraw/zinc/06/20/80/684062080.db2.gz LSMOLEACHTVRTD-CYBMUJFWSA-N 2 2 258.369 1.727 10 30 CDEELP C[N@H+](Cc1cncc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000721605475 684062082 /nfs/dbraw/zinc/06/20/82/684062082.db2.gz LSMOLEACHTVRTD-CYBMUJFWSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1cncc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000721605475 684062084 /nfs/dbraw/zinc/06/20/84/684062084.db2.gz LSMOLEACHTVRTD-CYBMUJFWSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1cncc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000721605475 684062087 /nfs/dbraw/zinc/06/20/87/684062087.db2.gz LSMOLEACHTVRTD-CYBMUJFWSA-N 2 2 258.369 1.727 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266820171 1158862184 /nfs/dbraw/zinc/86/21/84/1158862184.db2.gz JDOBICGPLRSFLN-CQSZACIVSA-N 2 2 290.411 1.665 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691128827 1158924519 /nfs/dbraw/zinc/92/45/19/1158924519.db2.gz WBVNJGVGZVXHDB-GASCZTMLSA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001482059954 1159972180 /nfs/dbraw/zinc/97/21/80/1159972180.db2.gz PHRDOJAYWIZQFK-CYBMUJFWSA-N 2 2 284.363 1.715 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483657481 1161044337 /nfs/dbraw/zinc/04/43/37/1161044337.db2.gz HMLQZMMJUIEOCE-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483657481 1161044341 /nfs/dbraw/zinc/04/43/41/1161044341.db2.gz HMLQZMMJUIEOCE-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001566714318 1168397504 /nfs/dbraw/zinc/39/75/04/1168397504.db2.gz KIYTWMTUHXZWTL-HNNXBMFYSA-N 2 2 282.347 1.294 10 30 CDEELP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001566922233 1168468209 /nfs/dbraw/zinc/46/82/09/1168468209.db2.gz ZHVFCIZWBGKDOW-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001566922233 1168468213 /nfs/dbraw/zinc/46/82/13/1168468213.db2.gz ZHVFCIZWBGKDOW-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001566922233 1168468218 /nfs/dbraw/zinc/46/82/18/1168468218.db2.gz ZHVFCIZWBGKDOW-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001566922233 1168468221 /nfs/dbraw/zinc/46/82/21/1168468221.db2.gz ZHVFCIZWBGKDOW-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567027462 1168519062 /nfs/dbraw/zinc/51/90/62/1168519062.db2.gz BEKQREOOVNIGOD-LLVKDONJSA-N 2 2 270.336 1.294 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001567147594 1168597406 /nfs/dbraw/zinc/59/74/06/1168597406.db2.gz KXXDEQLNKKAZLS-ZDUSSCGKSA-N 2 2 288.395 1.149 10 30 CDEELP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001569128709 1169673770 /nfs/dbraw/zinc/67/37/70/1169673770.db2.gz UZOQRUIQOFGZQE-GFCCVEGCSA-N 2 2 270.336 1.018 10 30 CDEELP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001569128709 1169673780 /nfs/dbraw/zinc/67/37/80/1169673780.db2.gz UZOQRUIQOFGZQE-GFCCVEGCSA-N 2 2 270.336 1.018 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001569409691 1169864192 /nfs/dbraw/zinc/86/41/92/1169864192.db2.gz JYDGQNUORQEGAG-UHFFFAOYSA-N 2 2 285.391 1.882 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001656983242 1171910543 /nfs/dbraw/zinc/91/05/43/1171910543.db2.gz QQUCJCICEZNPCM-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001664592378 1172871784 /nfs/dbraw/zinc/87/17/84/1172871784.db2.gz JIGBTNGGGWRLOF-INIZCTEOSA-N 2 2 296.374 1.423 10 30 CDEELP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001666299166 1173124819 /nfs/dbraw/zinc/12/48/19/1173124819.db2.gz XFINQEDHLHMUNB-HDJSIYSDSA-N 2 2 288.395 1.003 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001668117396 1173370596 /nfs/dbraw/zinc/37/05/96/1173370596.db2.gz HVUVFHZSZBQMPO-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C#CCC[N@@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001674925563 1174035822 /nfs/dbraw/zinc/03/58/22/1174035822.db2.gz KSHIWSKMMCGNCB-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001674925563 1174035829 /nfs/dbraw/zinc/03/58/29/1174035829.db2.gz KSHIWSKMMCGNCB-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP C#CCC[C@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC001621052973 1175207277 /nfs/dbraw/zinc/20/72/77/1175207277.db2.gz WRUDYMYLFPXWCY-ZDUSSCGKSA-N 2 2 292.345 1.767 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001690950854 1175623112 /nfs/dbraw/zinc/62/31/12/1175623112.db2.gz CUXXLRWAAKXDPB-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001690950854 1175623117 /nfs/dbraw/zinc/62/31/17/1175623117.db2.gz CUXXLRWAAKXDPB-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2)C1 ZINC001691870204 1175641428 /nfs/dbraw/zinc/64/14/28/1175641428.db2.gz XMIUVSRKXCYBQB-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2)C1 ZINC001691870204 1175641435 /nfs/dbraw/zinc/64/14/35/1175641435.db2.gz XMIUVSRKXCYBQB-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698869984 1175972188 /nfs/dbraw/zinc/97/21/88/1175972188.db2.gz HMVPHUFDEBVHQV-AWEZNQCLSA-N 2 2 298.390 1.930 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001699484039 1176440906 /nfs/dbraw/zinc/44/09/06/1176440906.db2.gz IXIUNNOTSXVUOC-KBPBESRZSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001699655224 1176551589 /nfs/dbraw/zinc/55/15/89/1176551589.db2.gz JLEWIILOUCYOSB-UHFFFAOYSA-N 2 2 290.411 1.741 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001700775451 1177128465 /nfs/dbraw/zinc/12/84/65/1177128465.db2.gz FOFJPQDSDZQAIU-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001700845641 1177163981 /nfs/dbraw/zinc/16/39/81/1177163981.db2.gz ALMJGPLPEBMDOL-GXTWGEPZSA-N 2 2 276.384 1.497 10 30 CDEELP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707163457 1177960744 /nfs/dbraw/zinc/96/07/44/1177960744.db2.gz RMWFOGXFJXBFKU-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001707411403 1178029446 /nfs/dbraw/zinc/02/94/46/1178029446.db2.gz JVWRJBHFBOTNQV-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001707411403 1178029454 /nfs/dbraw/zinc/02/94/54/1178029454.db2.gz JVWRJBHFBOTNQV-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714400714 1179125845 /nfs/dbraw/zinc/12/58/45/1179125845.db2.gz DFKIBCQKUUVZHW-KGLIPLIRSA-N 2 2 290.411 1.935 10 30 CDEELP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714400714 1179125848 /nfs/dbraw/zinc/12/58/48/1179125848.db2.gz DFKIBCQKUUVZHW-KGLIPLIRSA-N 2 2 290.411 1.935 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001715014365 1179510719 /nfs/dbraw/zinc/51/07/19/1179510719.db2.gz MAMFICOBKTZUBJ-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP 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ZINC001480386982 971697320 /nfs/dbraw/zinc/69/73/20/971697320.db2.gz NSENBSUXQZRFOG-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001480386982 971697324 /nfs/dbraw/zinc/69/73/24/971697324.db2.gz NSENBSUXQZRFOG-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001329473908 955936108 /nfs/dbraw/zinc/93/61/08/955936108.db2.gz DTDYDQUYEPVAHM-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001329473908 955936114 /nfs/dbraw/zinc/93/61/14/955936114.db2.gz DTDYDQUYEPVAHM-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329502689 955953626 /nfs/dbraw/zinc/95/36/26/955953626.db2.gz ZQVKTQHFOHVROJ-CQSZACIVSA-N 2 2 296.374 1.556 10 30 CDEELP C#CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001329502689 955953636 /nfs/dbraw/zinc/95/36/36/955953636.db2.gz ZQVKTQHFOHVROJ-CQSZACIVSA-N 2 2 296.374 1.556 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001366000831 956502690 /nfs/dbraw/zinc/50/26/90/956502690.db2.gz BTLJWPKBKHYZAW-NWDGAFQWSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001366000831 956502693 /nfs/dbraw/zinc/50/26/93/956502693.db2.gz BTLJWPKBKHYZAW-NWDGAFQWSA-N 2 2 273.808 1.270 10 30 CDEELP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001331358289 956989692 /nfs/dbraw/zinc/98/96/92/956989692.db2.gz BLBQJAXNJALTAG-AWEZNQCLSA-N 2 2 276.384 1.286 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001316950162 957150635 /nfs/dbraw/zinc/15/06/35/957150635.db2.gz KAQUQYCGYIEDFT-CABCVRRESA-N 2 2 288.395 1.438 10 30 CDEELP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001316950162 957150640 /nfs/dbraw/zinc/15/06/40/957150640.db2.gz KAQUQYCGYIEDFT-CABCVRRESA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001317536825 957535138 /nfs/dbraw/zinc/53/51/38/957535138.db2.gz YPUSXYJVOBUZHN-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001317536825 957535145 /nfs/dbraw/zinc/53/51/45/957535145.db2.gz YPUSXYJVOBUZHN-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317853453 957695977 /nfs/dbraw/zinc/69/59/77/957695977.db2.gz LLZVEDOJQDFKKY-HUUCEWRRSA-N 2 2 290.411 1.801 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317853453 957695983 /nfs/dbraw/zinc/69/59/83/957695983.db2.gz LLZVEDOJQDFKKY-HUUCEWRRSA-N 2 2 290.411 1.801 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001367814645 958384449 /nfs/dbraw/zinc/38/44/49/958384449.db2.gz QQSZDWGCJLUTIR-VXGBXAGGSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001367814645 958384463 /nfs/dbraw/zinc/38/44/63/958384463.db2.gz QQSZDWGCJLUTIR-VXGBXAGGSA-N 2 2 275.824 1.516 10 30 CDEELP C#CC[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319207817 958435194 /nfs/dbraw/zinc/43/51/94/958435194.db2.gz ISKGLZJTYPYZMV-LLVKDONJSA-N 2 2 270.336 1.152 10 30 CDEELP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001319634267 958665093 /nfs/dbraw/zinc/66/50/93/958665093.db2.gz BBSNUIWMADZGPM-AWEZNQCLSA-N 2 2 290.411 1.404 10 30 CDEELP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001319865450 958757554 /nfs/dbraw/zinc/75/75/54/958757554.db2.gz ULCNORGZDZVQRB-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1 ZINC001419262942 961564013 /nfs/dbraw/zinc/56/40/13/961564013.db2.gz AECIYJVSHDSTBX-NSHDSACASA-N 2 2 270.764 1.120 10 30 CDEELP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001344461230 964317255 /nfs/dbraw/zinc/31/72/55/964317255.db2.gz HKKJASFTOVCFAW-HZPDHXFCSA-N 2 2 287.407 1.973 10 30 CDEELP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001344461230 964317261 /nfs/dbraw/zinc/31/72/61/964317261.db2.gz HKKJASFTOVCFAW-HZPDHXFCSA-N 2 2 287.407 1.973 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001448512105 967135123 /nfs/dbraw/zinc/13/51/23/967135123.db2.gz SYOKDHHFERVQFP-JOCQHMNTSA-N 2 2 296.802 1.510 10 30 CDEELP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650042 969529984 /nfs/dbraw/zinc/52/99/84/969529984.db2.gz GDMRQNOKWYAJBB-IKGGRYGDSA-N 2 2 285.391 1.618 10 30 CDEELP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650042 969529986 /nfs/dbraw/zinc/52/99/86/969529986.db2.gz GDMRQNOKWYAJBB-IKGGRYGDSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650042 969529989 /nfs/dbraw/zinc/52/99/89/969529989.db2.gz GDMRQNOKWYAJBB-IKGGRYGDSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650042 969529991 /nfs/dbraw/zinc/52/99/91/969529991.db2.gz GDMRQNOKWYAJBB-IKGGRYGDSA-N 2 2 285.391 1.618 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498582415 973987760 /nfs/dbraw/zinc/98/77/60/973987760.db2.gz HCGJRJWAMBBTFE-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001505631918 974944099 /nfs/dbraw/zinc/94/40/99/974944099.db2.gz HTDIEQFSSUSADA-CHWSQXEVSA-N 2 2 291.395 1.692 10 30 CDEELP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001507419671 975462624 /nfs/dbraw/zinc/46/26/24/975462624.db2.gz WPEDSBCKWZBRPK-UONOGXRCSA-N 2 2 288.395 1.158 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001674499990 1173955670 /nfs/dbraw/zinc/95/56/70/1173955670.db2.gz UFVVUPROIXQJFC-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001674499990 1173955684 /nfs/dbraw/zinc/95/56/84/1173955684.db2.gz UFVVUPROIXQJFC-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001674759093 1174005678 /nfs/dbraw/zinc/00/56/78/1174005678.db2.gz ASETWFRMYYPWKZ-NEPJUHHUSA-N 2 2 278.400 1.710 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001674931720 1174038356 /nfs/dbraw/zinc/03/83/56/1174038356.db2.gz NWGRWRVRQVWABP-ZDUSSCGKSA-N 2 2 290.411 1.384 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001674931720 1174038362 /nfs/dbraw/zinc/03/83/62/1174038362.db2.gz NWGRWRVRQVWABP-ZDUSSCGKSA-N 2 2 290.411 1.384 10 30 CDEELP C#CCC[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001676013793 1174173812 /nfs/dbraw/zinc/17/38/12/1174173812.db2.gz ROVGBJQWULPNAJ-LBPRGKRZSA-N 2 2 276.384 1.158 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001570436749 1170158995 /nfs/dbraw/zinc/15/89/95/1170158995.db2.gz DJPAVADFFQYYMW-ZIAGYGMSSA-N 2 2 288.395 1.335 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001570436749 1170158997 /nfs/dbraw/zinc/15/89/97/1170158997.db2.gz DJPAVADFFQYYMW-ZIAGYGMSSA-N 2 2 288.395 1.335 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000600734429 342246131 /nfs/dbraw/zinc/24/61/31/342246131.db2.gz PIBCGYFOAZMYSF-HUUCEWRRSA-N 2 2 277.412 1.648 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000600734429 342246132 /nfs/dbraw/zinc/24/61/32/342246132.db2.gz PIBCGYFOAZMYSF-HUUCEWRRSA-N 2 2 277.412 1.648 10 30 CDEELP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449394195 362689379 /nfs/dbraw/zinc/68/93/79/362689379.db2.gz FHHTUCSGNPPALR-MGPQQGTHSA-N 2 2 251.374 1.115 10 30 CDEELP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449394195 362689382 /nfs/dbraw/zinc/68/93/82/362689382.db2.gz FHHTUCSGNPPALR-MGPQQGTHSA-N 2 2 251.374 1.115 10 30 CDEELP N#Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccn1 ZINC000610993143 346569316 /nfs/dbraw/zinc/56/93/16/346569316.db2.gz FKFNHVIEYFHIKF-HNNXBMFYSA-N 2 2 270.380 1.871 10 30 CDEELP N#Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccn1 ZINC000610993143 346569321 /nfs/dbraw/zinc/56/93/21/346569321.db2.gz FKFNHVIEYFHIKF-HNNXBMFYSA-N 2 2 270.380 1.871 10 30 CDEELP C[N@@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000164117094 363784080 /nfs/dbraw/zinc/78/40/80/363784080.db2.gz VHRZXGRLSUBAKX-GFCCVEGCSA-N 2 2 298.312 1.656 10 30 CDEELP C[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000164117094 363784084 /nfs/dbraw/zinc/78/40/84/363784084.db2.gz VHRZXGRLSUBAKX-GFCCVEGCSA-N 2 2 298.312 1.656 10 30 CDEELP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C#N ZINC000174307076 364175562 /nfs/dbraw/zinc/17/55/62/364175562.db2.gz MAZNLLUYYWCTID-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C#N ZINC000174307076 364175567 /nfs/dbraw/zinc/17/55/67/364175567.db2.gz MAZNLLUYYWCTID-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP N/C(CCC[NH+]1CCN(c2ccccc2Cl)CC1)=[NH+]\O ZINC000034940076 364198506 /nfs/dbraw/zinc/19/85/06/364198506.db2.gz FGBYPTMCIRXHGE-UHFFFAOYSA-N 2 2 296.802 1.989 10 30 CDEELP N#CC1(C[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000528427149 367840968 /nfs/dbraw/zinc/84/09/68/367840968.db2.gz VCQWOYLTSYLZKW-CYBMUJFWSA-N 2 2 274.368 1.644 10 30 CDEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620062 375882914 /nfs/dbraw/zinc/88/29/14/375882914.db2.gz OFZLJHFIVYPHCF-YUELXQCFSA-N 2 2 298.390 1.379 10 30 CDEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620062 375882918 /nfs/dbraw/zinc/88/29/18/375882918.db2.gz OFZLJHFIVYPHCF-YUELXQCFSA-N 2 2 298.390 1.379 10 30 CDEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620062 375882923 /nfs/dbraw/zinc/88/29/23/375882923.db2.gz OFZLJHFIVYPHCF-YUELXQCFSA-N 2 2 298.390 1.379 10 30 CDEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620062 375882928 /nfs/dbraw/zinc/88/29/28/375882928.db2.gz OFZLJHFIVYPHCF-YUELXQCFSA-N 2 2 298.390 1.379 10 30 CDEELP C=CCCn1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)nn1 ZINC000655939443 412953561 /nfs/dbraw/zinc/95/35/61/412953561.db2.gz GZQSUDCDWONBPD-UHFFFAOYSA-N 2 2 261.373 1.182 10 30 CDEELP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000305804654 392775493 /nfs/dbraw/zinc/77/54/93/392775493.db2.gz FWUGMXFGBRNYAQ-PWSUYJOCSA-N 2 2 265.332 1.270 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001664759891 1172903729 /nfs/dbraw/zinc/90/37/29/1172903729.db2.gz HALNPBJYIYKJKP-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001664759891 1172903735 /nfs/dbraw/zinc/90/37/35/1172903735.db2.gz HALNPBJYIYKJKP-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[C@@]1(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CCC[NH2+]1 ZINC000662901167 413685915 /nfs/dbraw/zinc/68/59/15/413685915.db2.gz FCWAKPJPMPTJFD-WFASDCNBSA-N 2 2 276.384 1.779 10 30 CDEELP N#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044686138 175232426 /nfs/dbraw/zinc/23/24/26/175232426.db2.gz BIIZZUGMOHXVRT-AWEZNQCLSA-N 2 2 271.364 1.915 10 30 CDEELP N#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044686138 175232427 /nfs/dbraw/zinc/23/24/27/175232427.db2.gz BIIZZUGMOHXVRT-AWEZNQCLSA-N 2 2 271.364 1.915 10 30 CDEELP CN[C@](C)(C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045181573 175325022 /nfs/dbraw/zinc/32/50/22/175325022.db2.gz KUPDIDSGGMOSBE-INIZCTEOSA-N 2 2 278.444 1.828 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](CCN(C)C)CC(C)C ZINC000045313979 175356982 /nfs/dbraw/zinc/35/69/82/175356982.db2.gz APRYUCVURYJCIU-HNNXBMFYSA-N 2 2 268.449 1.788 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](CCN(C)C)CC(C)C ZINC000045313979 175356983 /nfs/dbraw/zinc/35/69/83/175356983.db2.gz APRYUCVURYJCIU-HNNXBMFYSA-N 2 2 268.449 1.788 10 30 CDEELP C=CC[C@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CCC[NH2+]1 ZINC000662737339 424395204 /nfs/dbraw/zinc/39/52/04/424395204.db2.gz YILSRKNXLUZELB-OAHLLOKOSA-N 2 2 270.336 1.971 10 30 CDEELP C=CC[C@]1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000662933190 424564957 /nfs/dbraw/zinc/56/49/57/424564957.db2.gz IEGCGKQVWVCDQQ-BXUZGUMPSA-N 2 2 262.357 1.296 10 30 CDEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001671814996 1173713345 /nfs/dbraw/zinc/71/33/45/1173713345.db2.gz GIQFECUCARSRIN-HNNXBMFYSA-N 2 2 276.384 1.287 10 30 CDEELP C#CCC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001673617405 1173871989 /nfs/dbraw/zinc/87/19/89/1173871989.db2.gz FPJXCCMIGFMQBG-UHFFFAOYSA-N 2 2 288.395 1.336 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000424291179 330334825 /nfs/dbraw/zinc/33/48/25/330334825.db2.gz DEIZMPNTUAGWJP-JURCDPSOSA-N 2 2 250.386 1.650 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000424291179 330334826 /nfs/dbraw/zinc/33/48/26/330334826.db2.gz DEIZMPNTUAGWJP-JURCDPSOSA-N 2 2 250.386 1.650 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267204086 1159174823 /nfs/dbraw/zinc/17/48/23/1159174823.db2.gz OWPQGKDDNKNXPE-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267204086 1159174824 /nfs/dbraw/zinc/17/48/24/1159174824.db2.gz OWPQGKDDNKNXPE-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000677133055 482469189 /nfs/dbraw/zinc/46/91/89/482469189.db2.gz FTGHMAGXSHYXKN-CQSZACIVSA-N 2 2 260.385 1.340 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483242388 1160878981 /nfs/dbraw/zinc/87/89/81/1160878981.db2.gz HYDZBXLQVYZLBW-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001689017128 1175084617 /nfs/dbraw/zinc/08/46/17/1175084617.db2.gz DGFHRCUJQGBPEC-UONOGXRCSA-N 2 2 290.411 1.413 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941253003 613744953 /nfs/dbraw/zinc/74/49/53/613744953.db2.gz QJFFOMIHLKWLSH-CYBMUJFWSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941253003 613744956 /nfs/dbraw/zinc/74/49/56/613744956.db2.gz QJFFOMIHLKWLSH-CYBMUJFWSA-N 2 2 276.384 1.286 10 30 CDEELP O=C1[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCN1O ZINC000895160311 619377806 /nfs/dbraw/zinc/37/78/06/619377806.db2.gz MFHDYCFZSCAEMB-GFCCVEGCSA-N 2 2 292.364 1.404 10 30 CDEELP C#CC[NH+]1CCC(Nc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000895808959 619847221 /nfs/dbraw/zinc/84/72/21/619847221.db2.gz OIPDAZGJQKGIMT-UHFFFAOYSA-N 2 2 269.352 1.776 10 30 CDEELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C#N)ccn1 ZINC000902993091 625739170 /nfs/dbraw/zinc/73/91/70/625739170.db2.gz POOJRQHDRMCYBM-PWSUYJOCSA-N 2 2 267.336 1.884 10 30 CDEELP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925697503 684468346 /nfs/dbraw/zinc/46/83/46/684468346.db2.gz ORJHFPJPVWKVOB-RRFJBIMHSA-N 2 2 252.402 1.778 10 30 CDEELP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925697503 684468350 /nfs/dbraw/zinc/46/83/50/684468350.db2.gz ORJHFPJPVWKVOB-RRFJBIMHSA-N 2 2 252.402 1.778 10 30 CDEELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1csc(C#N)c1 ZINC000921930914 685886388 /nfs/dbraw/zinc/88/63/88/685886388.db2.gz UYKKUTKHFWOEAO-LBPRGKRZSA-N 2 2 253.371 1.022 10 30 CDEELP C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172882 686849448 /nfs/dbraw/zinc/84/94/48/686849448.db2.gz NQMMYJVMTJADDW-LBPRGKRZSA-N 2 2 263.341 1.707 10 30 CDEELP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[NH+](C)C ZINC000865397227 687082662 /nfs/dbraw/zinc/08/26/62/687082662.db2.gz FHVSWSCMEANFTG-UHFFFAOYSA-N 2 2 260.385 1.666 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000876753558 687177480 /nfs/dbraw/zinc/17/74/80/687177480.db2.gz HGKYSNQHRZZQIM-ZDUSSCGKSA-N 2 2 293.798 1.935 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000876753558 687177488 /nfs/dbraw/zinc/17/74/88/687177488.db2.gz HGKYSNQHRZZQIM-ZDUSSCGKSA-N 2 2 293.798 1.935 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266895836 1158968031 /nfs/dbraw/zinc/96/80/31/1158968031.db2.gz UDFCPDHDWMQBQR-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266895836 1158968033 /nfs/dbraw/zinc/96/80/33/1158968033.db2.gz UDFCPDHDWMQBQR-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001271943031 1160378304 /nfs/dbraw/zinc/37/83/04/1160378304.db2.gz XLZMKUROCAOTQQ-CYBMUJFWSA-N 2 2 264.373 1.190 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000876724084 1165900330 /nfs/dbraw/zinc/90/03/30/1165900330.db2.gz NKMAOIBGWWVQDW-NEPJUHHUSA-N 2 2 298.818 1.884 10 30 CDEELP CC#CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001276138645 1166736786 /nfs/dbraw/zinc/73/67/86/1166736786.db2.gz PBPHKNLUDSFGER-OAHLLOKOSA-N 2 2 290.411 1.438 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001565835809 1168053683 /nfs/dbraw/zinc/05/36/83/1168053683.db2.gz VECZHNAVSUWDQT-SJORKVTESA-N 2 2 299.418 1.455 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001565835809 1168053692 /nfs/dbraw/zinc/05/36/92/1168053692.db2.gz VECZHNAVSUWDQT-SJORKVTESA-N 2 2 299.418 1.455 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001567039097 1168523872 /nfs/dbraw/zinc/52/38/72/1168523872.db2.gz MZMDMWXRTNQLDT-CYBMUJFWSA-N 2 2 284.363 1.766 10 30 CDEELP C=CC[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001569068491 1169628602 /nfs/dbraw/zinc/62/86/02/1169628602.db2.gz SZUCELAKTROBPS-NSHDSACASA-N 2 2 258.325 1.228 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001661926214 1172467953 /nfs/dbraw/zinc/46/79/53/1172467953.db2.gz UDPXTFUELPVZFF-MGPQQGTHSA-N 2 2 286.379 1.117 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001661926214 1172467958 /nfs/dbraw/zinc/46/79/58/1172467958.db2.gz UDPXTFUELPVZFF-MGPQQGTHSA-N 2 2 286.379 1.117 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001670138768 1173657776 /nfs/dbraw/zinc/65/77/76/1173657776.db2.gz PDOCXQLHIHNFTI-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504862 1175483166 /nfs/dbraw/zinc/48/31/66/1175483166.db2.gz JURZMGOTTVQSKY-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504862 1175483169 /nfs/dbraw/zinc/48/31/69/1175483169.db2.gz JURZMGOTTVQSKY-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[NH2+]C1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001690544509 1175491027 /nfs/dbraw/zinc/49/10/27/1175491027.db2.gz QMWOJPOXSPAGAG-UHFFFAOYSA-N 2 2 290.411 1.556 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692401796 1175761920 /nfs/dbraw/zinc/76/19/20/1175761920.db2.gz DHUBOZMPUUODGC-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692401796 1175761923 /nfs/dbraw/zinc/76/19/23/1175761923.db2.gz DHUBOZMPUUODGC-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692401796 1175761927 /nfs/dbraw/zinc/76/19/27/1175761927.db2.gz DHUBOZMPUUODGC-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692401796 1175761929 /nfs/dbraw/zinc/76/19/29/1175761929.db2.gz DHUBOZMPUUODGC-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001698945550 1175991701 /nfs/dbraw/zinc/99/17/01/1175991701.db2.gz LMRUJPUQNPBEOE-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001698945550 1175991702 /nfs/dbraw/zinc/99/17/02/1175991702.db2.gz LMRUJPUQNPBEOE-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699751823 1176608140 /nfs/dbraw/zinc/60/81/40/1176608140.db2.gz IDJJCULITFENLR-KBPBESRZSA-N 2 2 288.395 1.212 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001700403033 1176908048 /nfs/dbraw/zinc/90/80/48/1176908048.db2.gz BKGACZCMSYIOHY-KGLIPLIRSA-N 2 2 292.427 1.986 10 30 CDEELP C=C(C)CC[N@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001713493530 1178605927 /nfs/dbraw/zinc/60/59/27/1178605927.db2.gz MNCDNFDEEABUOR-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=C(C)CC[N@@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001713493530 1178605930 /nfs/dbraw/zinc/60/59/30/1178605930.db2.gz MNCDNFDEEABUOR-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001713872034 1178807408 /nfs/dbraw/zinc/80/74/08/1178807408.db2.gz MAUNMDBOKPNVIZ-OAHLLOKOSA-N 2 2 285.391 1.738 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001714247276 1179045354 /nfs/dbraw/zinc/04/53/54/1179045354.db2.gz UCUSENTWSUWKGE-GFCCVEGCSA-N 2 2 278.400 1.597 10 30 CDEELP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714273457 1179059898 /nfs/dbraw/zinc/05/98/98/1179059898.db2.gz HTQNIGCQSKDRIH-MGPQQGTHSA-N 2 2 290.411 1.584 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001714620923 1179272493 /nfs/dbraw/zinc/27/24/93/1179272493.db2.gz FDUCJBDMKOTZFC-IRXDYDNUSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001714620923 1179272500 /nfs/dbraw/zinc/27/25/00/1179272500.db2.gz FDUCJBDMKOTZFC-IRXDYDNUSA-N 2 2 299.418 1.503 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001714668481 1179311083 /nfs/dbraw/zinc/31/10/83/1179311083.db2.gz DYYNWBMTBGPSMZ-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001714705527 1179348387 /nfs/dbraw/zinc/34/83/87/1179348387.db2.gz BEDXQYQASSWXGQ-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001714726053 1179360656 /nfs/dbraw/zinc/36/06/56/1179360656.db2.gz BYQOSWMTYFTVEH-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001715237882 1179591160 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C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317382114 957444263 /nfs/dbraw/zinc/44/42/63/957444263.db2.gz VJSYGGUDJSPLFN-CQSZACIVSA-N 2 2 288.395 1.207 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001318051916 957884252 /nfs/dbraw/zinc/88/42/52/957884252.db2.gz RVYAZAJQVHHKOQ-CYBMUJFWSA-N 2 2 276.384 1.428 10 30 CDEELP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319758222 958716265 /nfs/dbraw/zinc/71/62/65/958716265.db2.gz MKUWCXCYZPYGRU-UONOGXRCSA-N 2 2 263.385 1.612 10 30 CDEELP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319758222 958716279 /nfs/dbraw/zinc/71/62/79/958716279.db2.gz MKUWCXCYZPYGRU-UONOGXRCSA-N 2 2 263.385 1.612 10 30 CDEELP C#CC[NH+]1CCC(NC(=O)Nc2cc(C)[nH+]c(C)c2)CC1 ZINC001334240119 958966756 /nfs/dbraw/zinc/96/67/56/958966756.db2.gz LMTAYIAEAYQGRU-UHFFFAOYSA-N 2 2 286.379 1.339 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320438826 959174032 /nfs/dbraw/zinc/17/40/32/959174032.db2.gz HUYSRRSVXSGFJH-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320438826 959174023 /nfs/dbraw/zinc/17/40/23/959174023.db2.gz HUYSRRSVXSGFJH-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C#CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001322183598 960124063 /nfs/dbraw/zinc/12/40/63/960124063.db2.gz SLQHJRSVYAXWAN-ZDUSSCGKSA-N 2 2 289.379 1.093 10 30 CDEELP C#CCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001322183598 960124066 /nfs/dbraw/zinc/12/40/66/960124066.db2.gz SLQHJRSVYAXWAN-ZDUSSCGKSA-N 2 2 289.379 1.093 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001323540410 960802065 /nfs/dbraw/zinc/80/20/65/960802065.db2.gz BIJMXLGZCXRACX-CHWSQXEVSA-N 2 2 288.395 1.338 10 30 CDEELP C=CCCC[C@@H]([NH3+])C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001340947224 963206505 /nfs/dbraw/zinc/20/65/05/963206505.db2.gz QOKUDGUGZBMWOL-GFCCVEGCSA-N 2 2 296.440 1.505 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001569527553 1169910885 /nfs/dbraw/zinc/91/08/85/1169910885.db2.gz QFYOQMWUTKCXRH-OCCSQVGLSA-N 2 2 288.395 1.253 10 30 CDEELP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569649260 1169952484 /nfs/dbraw/zinc/95/24/84/1169952484.db2.gz DTEZDUBCCSLUKC-IUODEOHRSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569649260 1169952490 /nfs/dbraw/zinc/95/24/90/1169952490.db2.gz DTEZDUBCCSLUKC-IUODEOHRSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001502129294 974702450 /nfs/dbraw/zinc/70/24/50/974702450.db2.gz CPYRUMBCCPHACG-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001502129294 974702453 /nfs/dbraw/zinc/70/24/53/974702453.db2.gz CPYRUMBCCPHACG-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001507011317 975294833 /nfs/dbraw/zinc/29/48/33/975294833.db2.gz LYSOKDUFSYUGGL-UMVBOHGHSA-N 2 2 288.395 1.526 10 30 CDEELP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001507011317 975294836 /nfs/dbraw/zinc/29/48/36/975294836.db2.gz LYSOKDUFSYUGGL-UMVBOHGHSA-N 2 2 288.395 1.526 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001399906446 976736954 /nfs/dbraw/zinc/73/69/54/976736954.db2.gz RLKQUXSBAJNXNN-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001399906446 976736963 /nfs/dbraw/zinc/73/69/63/976736963.db2.gz RLKQUXSBAJNXNN-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404100398 977335454 /nfs/dbraw/zinc/33/54/54/977335454.db2.gz JGGPKNXZGJEHFZ-GFCCVEGCSA-N 2 2 282.775 1.074 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404100398 977335460 /nfs/dbraw/zinc/33/54/60/977335460.db2.gz JGGPKNXZGJEHFZ-GFCCVEGCSA-N 2 2 282.775 1.074 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001676879372 1174284558 /nfs/dbraw/zinc/28/45/58/1174284558.db2.gz MLGGAVPOZROWMB-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001676879372 1174284562 /nfs/dbraw/zinc/28/45/62/1174284562.db2.gz MLGGAVPOZROWMB-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP C=C(Br)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000085289475 179006179 /nfs/dbraw/zinc/00/61/79/179006179.db2.gz YSZTXMKJPQTCLV-NXEZZACHSA-N 2 2 259.191 1.825 10 30 CDEELP C=C(Br)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000085289475 179006181 /nfs/dbraw/zinc/00/61/81/179006181.db2.gz YSZTXMKJPQTCLV-NXEZZACHSA-N 2 2 259.191 1.825 10 30 CDEELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986667 374365960 /nfs/dbraw/zinc/36/59/60/374365960.db2.gz DCXJNKNWJNTAOL-IUODEOHRSA-N 2 2 259.353 1.525 10 30 CDEELP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)ccc1C#N ZINC000449393752 374805722 /nfs/dbraw/zinc/80/57/22/374805722.db2.gz CYJSEZJWHPWHHA-KRWDZBQOSA-N 2 2 287.407 1.803 10 30 CDEELP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)ccc1C#N ZINC000449393752 374805724 /nfs/dbraw/zinc/80/57/24/374805724.db2.gz CYJSEZJWHPWHHA-KRWDZBQOSA-N 2 2 287.407 1.803 10 30 CDEELP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001662010593 1172476791 /nfs/dbraw/zinc/47/67/91/1172476791.db2.gz LQEAZMDOYITPJV-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001662010593 1172476797 /nfs/dbraw/zinc/47/67/97/1172476797.db2.gz LQEAZMDOYITPJV-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515823 376001893 /nfs/dbraw/zinc/00/18/93/376001893.db2.gz FYKIMGMTYLUJLL-UONOGXRCSA-N 2 2 288.395 1.506 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515823 376001899 /nfs/dbraw/zinc/00/18/99/376001899.db2.gz FYKIMGMTYLUJLL-UONOGXRCSA-N 2 2 288.395 1.506 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])nn1 ZINC000655942019 412954340 /nfs/dbraw/zinc/95/43/40/412954340.db2.gz IUPGRWKUZJLMIC-ZFWWWQNUSA-N 2 2 277.416 1.804 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])nn1 ZINC000655942019 412954344 /nfs/dbraw/zinc/95/43/44/412954344.db2.gz IUPGRWKUZJLMIC-ZFWWWQNUSA-N 2 2 277.416 1.804 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CCOCC1 ZINC000045311808 175356372 /nfs/dbraw/zinc/35/63/72/175356372.db2.gz QBAHAVCNEQFWTE-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CCOCC1 ZINC000045311808 175356374 /nfs/dbraw/zinc/35/63/74/175356374.db2.gz QBAHAVCNEQFWTE-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C ZINC000045310440 175356583 /nfs/dbraw/zinc/35/65/83/175356583.db2.gz ATZSQLDWPFOGTQ-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C ZINC000045310440 175356585 /nfs/dbraw/zinc/35/65/85/175356585.db2.gz ATZSQLDWPFOGTQ-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071310651 176117626 /nfs/dbraw/zinc/11/76/26/176117626.db2.gz WMCAYEQWYPURKD-CYBMUJFWSA-N 2 2 272.352 1.181 10 30 CDEELP C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071310651 176117628 /nfs/dbraw/zinc/11/76/28/176117628.db2.gz WMCAYEQWYPURKD-CYBMUJFWSA-N 2 2 272.352 1.181 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CC[C@H](C)CC[NH3+])CC1 ZINC000079119210 177437250 /nfs/dbraw/zinc/43/72/50/177437250.db2.gz NUZSRTRGRWVQRW-ZDUSSCGKSA-N 2 2 253.390 1.082 10 30 CDEELP N#C[C@H]1CC[C@@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000407989957 260153130 /nfs/dbraw/zinc/15/31/30/260153130.db2.gz MEHKJJHABQHVJD-QWHCGFSZSA-N 2 2 259.357 1.220 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001667290160 1173252193 /nfs/dbraw/zinc/25/21/93/1173252193.db2.gz GLVODGCVSXEDIO-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001669728739 1173589964 /nfs/dbraw/zinc/58/99/64/1173589964.db2.gz OHHBUIVNEDGWKO-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001671675077 1173701387 /nfs/dbraw/zinc/70/13/87/1173701387.db2.gz SPLTYFJOVDYMCM-GOEBONIOSA-N 2 2 288.395 1.438 10 30 CDEELP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001671675077 1173701392 /nfs/dbraw/zinc/70/13/92/1173701392.db2.gz SPLTYFJOVDYMCM-GOEBONIOSA-N 2 2 288.395 1.438 10 30 CDEELP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378063903 329038525 /nfs/dbraw/zinc/03/85/25/329038525.db2.gz YBRHTJOWQLYWHZ-GFCCVEGCSA-N 2 2 289.383 1.350 10 30 CDEELP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378063903 329038527 /nfs/dbraw/zinc/03/85/27/329038527.db2.gz YBRHTJOWQLYWHZ-GFCCVEGCSA-N 2 2 289.383 1.350 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001691761240 1159207162 /nfs/dbraw/zinc/20/71/62/1159207162.db2.gz JYHHXPKLVHEGAA-SOUVJXGZSA-N 2 2 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C=CCC(F)(F)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415350 928411276 /nfs/dbraw/zinc/41/12/76/928411276.db2.gz VWXGKJJHAXLTAD-UHFFFAOYSA-N 2 2 277.359 1.198 10 30 CDEELP C=CC[NH2+]C/C=C/CNC(=O)Cc1c[nH+]ccc1OC ZINC001274118274 931181177 /nfs/dbraw/zinc/18/11/77/931181177.db2.gz AKAXNHUVLRNBRH-SNAWJCMRSA-N 2 2 275.352 1.081 10 30 CDEELP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001274140887 931193564 /nfs/dbraw/zinc/19/35/64/931193564.db2.gz DNSVDFYZEIHPOA-ZRUQZJFASA-N 2 2 288.395 1.284 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001275592986 931899186 /nfs/dbraw/zinc/89/91/86/931899186.db2.gz WJFLJWIBILAGQV-ZDUSSCGKSA-N 2 2 291.395 1.645 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001275592986 931899194 /nfs/dbraw/zinc/89/91/94/931899194.db2.gz WJFLJWIBILAGQV-ZDUSSCGKSA-N 2 2 291.395 1.645 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001277094197 941943688 /nfs/dbraw/zinc/94/36/88/941943688.db2.gz OCRUUBOCHFVQIA-ZDUSSCGKSA-N 2 2 288.395 1.260 10 30 CDEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001264479828 944140667 /nfs/dbraw/zinc/14/06/67/944140667.db2.gz GOGIMYZWNLATID-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)CCCn1cc[nH+]c1 ZINC001265076305 944221737 /nfs/dbraw/zinc/22/17/37/944221737.db2.gz ROXWXVKSDQHHDG-UHFFFAOYSA-N 2 2 276.384 1.125 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)CCCn1cc[nH+]c1 ZINC001265076305 944221743 /nfs/dbraw/zinc/22/17/43/944221743.db2.gz ROXWXVKSDQHHDG-UHFFFAOYSA-N 2 2 276.384 1.125 10 30 CDEELP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001479781392 971415613 /nfs/dbraw/zinc/41/56/13/971415613.db2.gz WEFXWPXWVQCAJT-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001479781392 971415618 /nfs/dbraw/zinc/41/56/18/971415618.db2.gz WEFXWPXWVQCAJT-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[NH+]1CCC(C)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001278632514 950663903 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C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316979270 957177557 /nfs/dbraw/zinc/17/75/57/957177557.db2.gz BXODIMPJMRKVEO-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316979270 957177563 /nfs/dbraw/zinc/17/75/63/957177563.db2.gz BXODIMPJMRKVEO-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001317272615 957395557 /nfs/dbraw/zinc/39/55/57/957395557.db2.gz ZSKURMUAQZLIGI-OLZOCXBDSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001317272615 957395563 /nfs/dbraw/zinc/39/55/63/957395563.db2.gz ZSKURMUAQZLIGI-OLZOCXBDSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001317407023 957457501 /nfs/dbraw/zinc/45/75/01/957457501.db2.gz BMGRPQGLVZMONJ-ZIAGYGMSSA-N 2 2 278.400 1.895 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001317610368 957594979 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CDEELP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001499930316 974338072 /nfs/dbraw/zinc/33/80/72/974338072.db2.gz WDEUFMXREQLESM-HUUCEWRRSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001501848100 974650034 /nfs/dbraw/zinc/65/00/34/974650034.db2.gz GKBGZIVKQGPGRI-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001501848100 974650038 /nfs/dbraw/zinc/65/00/38/974650038.db2.gz GKBGZIVKQGPGRI-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001501848100 974650040 /nfs/dbraw/zinc/65/00/40/974650040.db2.gz GKBGZIVKQGPGRI-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001501848100 974650044 /nfs/dbraw/zinc/65/00/44/974650044.db2.gz GKBGZIVKQGPGRI-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001505944104 975053024 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C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001571469194 1170442576 /nfs/dbraw/zinc/44/25/76/1170442576.db2.gz MQPXBNQYJRKVBI-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000594436664 342899445 /nfs/dbraw/zinc/89/94/45/342899445.db2.gz PGXBZBPFVCIFHP-STQMWFEESA-N 2 2 289.383 1.875 10 30 CDEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCNC3=O)CC2)cc1 ZINC000594959354 342983984 /nfs/dbraw/zinc/98/39/84/342983984.db2.gz CMSUKBASDPEYJD-INIZCTEOSA-N 2 2 298.390 1.001 10 30 CDEELP Cc1cc(C#N)cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601116515 349910168 /nfs/dbraw/zinc/91/01/68/349910168.db2.gz MIJWVPFWAHPYIR-HNNXBMFYSA-N 2 2 299.422 1.842 10 30 CDEELP Cc1cc(C#N)cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601116515 349910172 /nfs/dbraw/zinc/91/01/72/349910172.db2.gz MIJWVPFWAHPYIR-HNNXBMFYSA-N 2 2 299.422 1.842 10 30 CDEELP C=CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001660744372 1172267298 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C=C1CC(C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000633619400 378602477 /nfs/dbraw/zinc/60/24/77/378602477.db2.gz UNPNYTRTYIIUAV-UHFFFAOYSA-N 2 2 267.417 1.342 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000195422291 393206411 /nfs/dbraw/zinc/20/64/11/393206411.db2.gz CMHMRCJCCJPRCU-MRXNPFEDSA-N 2 2 273.380 1.495 10 30 CDEELP C=CC[C@@]1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCC[NH2+]1 ZINC000662738418 413409195 /nfs/dbraw/zinc/40/91/95/413409195.db2.gz WEGXEOZFEPASTD-INIZCTEOSA-N 2 2 288.395 1.814 10 30 CDEELP C=CC[C@@]1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCC[NH2+]1 ZINC000662738418 413409200 /nfs/dbraw/zinc/40/92/00/413409200.db2.gz WEGXEOZFEPASTD-INIZCTEOSA-N 2 2 288.395 1.814 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+]1CCO[C@@H](C)C1 ZINC000045307334 175355546 /nfs/dbraw/zinc/35/55/46/175355546.db2.gz WBRYZXBMXYCCNF-KBPBESRZSA-N 2 2 253.390 1.768 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@H+]1CCO[C@@H](C)C1 ZINC000045307334 175355548 /nfs/dbraw/zinc/35/55/48/175355548.db2.gz WBRYZXBMXYCCNF-KBPBESRZSA-N 2 2 253.390 1.768 10 30 CDEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001666026825 1173102449 /nfs/dbraw/zinc/10/24/49/1173102449.db2.gz RHDZREROTWZDDJ-INIZCTEOSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCOc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000414925835 263131697 /nfs/dbraw/zinc/13/16/97/263131697.db2.gz KCAZTFIWHLGPDR-UHFFFAOYSA-N 2 2 250.342 1.004 10 30 CDEELP C=CCOc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000414925835 263131698 /nfs/dbraw/zinc/13/16/98/263131698.db2.gz KCAZTFIWHLGPDR-UHFFFAOYSA-N 2 2 250.342 1.004 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001669293782 1173533244 /nfs/dbraw/zinc/53/32/44/1173533244.db2.gz QGDTXFJHBZEFCY-GFCCVEGCSA-N 2 2 286.379 1.927 10 30 CDEELP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)NCC1CCC1 ZINC000170912436 329072314 /nfs/dbraw/zinc/07/23/14/329072314.db2.gz JMNHSGJNGFZTCW-UHFFFAOYSA-N 2 2 284.367 1.472 10 30 CDEELP C=CCNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180669063 329221885 /nfs/dbraw/zinc/22/18/85/329221885.db2.gz SPXOKFWAIGKCRC-CYBMUJFWSA-N 2 2 284.363 1.825 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422979708 330162476 /nfs/dbraw/zinc/16/24/76/330162476.db2.gz NLNJRGNGMMUREM-SJORKVTESA-N 3 2 293.455 1.384 10 30 CDEELP C=CCn1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)nn1 ZINC000424374936 330348472 /nfs/dbraw/zinc/34/84/72/330348472.db2.gz JPMBEOOLPJQSBM-SNVBAGLBSA-N 2 2 258.329 1.122 10 30 CDEELP CC(C)[NH2+][C@H](C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062437501 519737857 /nfs/dbraw/zinc/73/78/57/519737857.db2.gz WEZJYJMBQTWNIY-AWEZNQCLSA-N 2 2 266.433 1.683 10 30 CDEELP C[C@@H](C[C@](C)(C#N)NC1CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000068611588 524860827 /nfs/dbraw/zinc/86/08/27/524860827.db2.gz VFQQQWOVGJOREV-XJKSGUPXSA-N 2 2 278.444 1.825 10 30 CDEELP C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000114067455 526354957 /nfs/dbraw/zinc/35/49/57/526354957.db2.gz ZNJDANGKLBPVHU-OAHLLOKOSA-N 2 2 294.443 1.373 10 30 CDEELP C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000114067455 526354960 /nfs/dbraw/zinc/35/49/60/526354960.db2.gz ZNJDANGKLBPVHU-OAHLLOKOSA-N 2 2 294.443 1.373 10 30 CDEELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316983 617712742 /nfs/dbraw/zinc/71/27/42/617712742.db2.gz LTLPGGNRGQLLTD-OAGGEKHMSA-N 2 2 291.439 1.705 10 30 CDEELP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316983 617712746 /nfs/dbraw/zinc/71/27/46/617712746.db2.gz LTLPGGNRGQLLTD-OAGGEKHMSA-N 2 2 291.439 1.705 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316983 617712760 /nfs/dbraw/zinc/71/27/60/617712760.db2.gz LTLPGGNRGQLLTD-OAGGEKHMSA-N 2 2 291.439 1.705 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316983 617712768 /nfs/dbraw/zinc/71/27/68/617712768.db2.gz LTLPGGNRGQLLTD-OAGGEKHMSA-N 2 2 291.439 1.705 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903000868 625763787 /nfs/dbraw/zinc/76/37/87/625763787.db2.gz NTOSLUTXNTYBEK-ZDUSSCGKSA-N 2 2 256.353 1.559 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903000868 625763798 /nfs/dbraw/zinc/76/37/98/625763798.db2.gz NTOSLUTXNTYBEK-ZDUSSCGKSA-N 2 2 256.353 1.559 10 30 CDEELP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000819322640 695211666 /nfs/dbraw/zinc/21/16/66/695211666.db2.gz UKTYNJURJSXMCT-XJKSGUPXSA-N 2 2 282.347 1.462 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001566714319 1168398339 /nfs/dbraw/zinc/39/83/39/1168398339.db2.gz KIYTWMTUHXZWTL-OAHLLOKOSA-N 2 2 282.347 1.294 10 30 CDEELP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001568114804 1169139064 /nfs/dbraw/zinc/13/90/64/1169139064.db2.gz OZKDOLWXMABBLS-SHTZXODSSA-N 2 2 290.411 1.866 10 30 CDEELP C#CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568646323 1169412136 /nfs/dbraw/zinc/41/21/36/1169412136.db2.gz PGZDNTCIIFTTRO-ZDUSSCGKSA-N 2 2 290.411 1.434 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001570109512 1170082848 /nfs/dbraw/zinc/08/28/48/1170082848.db2.gz NSGMNCIJWMXWNR-UHFFFAOYSA-N 2 2 282.347 1.438 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001656138508 1171778625 /nfs/dbraw/zinc/77/86/25/1171778625.db2.gz XRBSREJOGUBKPF-XJFOESAGSA-N 2 2 286.379 1.021 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001656138508 1171778639 /nfs/dbraw/zinc/77/86/39/1171778639.db2.gz XRBSREJOGUBKPF-XJFOESAGSA-N 2 2 286.379 1.021 10 30 CDEELP C=CC[N@H+](CCC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663668346 1172743464 /nfs/dbraw/zinc/74/34/64/1172743464.db2.gz ROQCQHCDLSKZDA-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C=CC[N@@H+](CCC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663668346 1172743474 /nfs/dbraw/zinc/74/34/74/1172743474.db2.gz ROQCQHCDLSKZDA-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001674140697 1173916874 /nfs/dbraw/zinc/91/68/74/1173916874.db2.gz IBVGNLVTLKCURG-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001674140697 1173916876 /nfs/dbraw/zinc/91/68/76/1173916876.db2.gz IBVGNLVTLKCURG-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001674781572 1174009998 /nfs/dbraw/zinc/00/99/98/1174009998.db2.gz ZGAPGBRVKSVVHP-KBPBESRZSA-N 2 2 276.384 1.169 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690407919 1175464676 /nfs/dbraw/zinc/46/46/76/1175464676.db2.gz TZLUKYFBLBKBMP-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690407919 1175464687 /nfs/dbraw/zinc/46/46/87/1175464687.db2.gz TZLUKYFBLBKBMP-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690504473 1175484035 /nfs/dbraw/zinc/48/40/35/1175484035.db2.gz DSNVIBYOQXNZDT-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690504473 1175484040 /nfs/dbraw/zinc/48/40/40/1175484040.db2.gz DSNVIBYOQXNZDT-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001690741380 1175561534 /nfs/dbraw/zinc/56/15/34/1175561534.db2.gz PGMCRVVXPPUCSA-CABCVRRESA-N 2 2 288.395 1.296 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691912674 1175650691 /nfs/dbraw/zinc/65/06/91/1175650691.db2.gz RHEZMHNIWPALPP-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691912674 1175650695 /nfs/dbraw/zinc/65/06/95/1175650695.db2.gz RHEZMHNIWPALPP-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001698605151 1175868872 /nfs/dbraw/zinc/86/88/72/1175868872.db2.gz PGGDVQPUPVYKOQ-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001699141789 1176110594 /nfs/dbraw/zinc/11/05/94/1176110594.db2.gz KZFQRGDCCFTZFP-OLZOCXBDSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001699141789 1176110596 /nfs/dbraw/zinc/11/05/96/1176110596.db2.gz KZFQRGDCCFTZFP-OLZOCXBDSA-N 2 2 278.400 1.649 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001699610174 1176497560 /nfs/dbraw/zinc/49/75/60/1176497560.db2.gz PQJDZJMVMDNHCQ-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001699666241 1176560667 /nfs/dbraw/zinc/56/06/67/1176560667.db2.gz REFQNQDMUKLDHF-GFCCVEGCSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001699666241 1176560673 /nfs/dbraw/zinc/56/06/73/1176560673.db2.gz REFQNQDMUKLDHF-GFCCVEGCSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001699824444 1176644042 /nfs/dbraw/zinc/64/40/42/1176644042.db2.gz MGYUJWIPQUQFFJ-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001699824444 1176644048 /nfs/dbraw/zinc/64/40/48/1176644048.db2.gz MGYUJWIPQUQFFJ-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699931001 1176686095 /nfs/dbraw/zinc/68/60/95/1176686095.db2.gz BRLXKUBLPJGCSV-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001699931001 1176686101 /nfs/dbraw/zinc/68/61/01/1176686101.db2.gz BRLXKUBLPJGCSV-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001700065886 1176738759 /nfs/dbraw/zinc/73/87/59/1176738759.db2.gz NQFADKZQKRIRJM-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001700065886 1176738768 /nfs/dbraw/zinc/73/87/68/1176738768.db2.gz NQFADKZQKRIRJM-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001707115362 1177953795 /nfs/dbraw/zinc/95/37/95/1177953795.db2.gz HLJZXCBUEKTRKZ-QLFBSQMISA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001707433670 1178040489 /nfs/dbraw/zinc/04/04/89/1178040489.db2.gz BXDINCJJIDJURH-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001713741870 1178732649 /nfs/dbraw/zinc/73/26/49/1178732649.db2.gz ONOCMBHMVXVQCB-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001713741870 1178732655 /nfs/dbraw/zinc/73/26/55/1178732655.db2.gz ONOCMBHMVXVQCB-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C#CC[NH2+]C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001714188648 1179008818 /nfs/dbraw/zinc/00/88/18/1179008818.db2.gz NISROHJAFCGTSV-CJNGLKHVSA-N 2 2 288.395 1.240 10 30 CDEELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001714310295 1179079224 /nfs/dbraw/zinc/07/92/24/1179079224.db2.gz UVEBQTXJEWBHEC-OAHLLOKOSA-N 2 2 296.374 1.029 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001714648516 1179295336 /nfs/dbraw/zinc/29/53/36/1179295336.db2.gz DSOOTHSIUBNSQH-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001714648516 1179295344 /nfs/dbraw/zinc/29/53/44/1179295344.db2.gz DSOOTHSIUBNSQH-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001715562281 1179717498 /nfs/dbraw/zinc/71/74/98/1179717498.db2.gz GNTRLLZNHMZUHV-DZGCQCFKSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001715562281 1179717503 /nfs/dbraw/zinc/71/75/03/1179717503.db2.gz GNTRLLZNHMZUHV-DZGCQCFKSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001724604764 1181702275 /nfs/dbraw/zinc/70/22/75/1181702275.db2.gz OHTOHKZBVITZMK-KBPBESRZSA-N 2 2 276.384 1.143 10 30 CDEELP C=CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001725005730 1181822022 /nfs/dbraw/zinc/82/20/22/1181822022.db2.gz SOVDHIZYWVKPFS-ZDUSSCGKSA-N 2 2 292.427 1.987 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001725359474 1181972840 /nfs/dbraw/zinc/97/28/40/1181972840.db2.gz LUDDQBIWTQOMEY-JOCQHMNTSA-N 2 2 276.384 1.023 10 30 CDEELP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001725461148 1182008667 /nfs/dbraw/zinc/00/86/67/1182008667.db2.gz DAAWGPPXISWPRH-HNNXBMFYSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[N@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001731773048 1182568036 /nfs/dbraw/zinc/56/80/36/1182568036.db2.gz YDFJNLHJRUMTDM-CQSZACIVSA-N 2 2 291.399 1.024 10 30 CDEELP C=CC[N@@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001731773048 1182568043 /nfs/dbraw/zinc/56/80/43/1182568043.db2.gz YDFJNLHJRUMTDM-CQSZACIVSA-N 2 2 291.399 1.024 10 30 CDEELP C=CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001731773048 1182568049 /nfs/dbraw/zinc/56/80/49/1182568049.db2.gz YDFJNLHJRUMTDM-CQSZACIVSA-N 2 2 291.399 1.024 10 30 CDEELP C=CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001731773048 1182568055 /nfs/dbraw/zinc/56/80/55/1182568055.db2.gz YDFJNLHJRUMTDM-CQSZACIVSA-N 2 2 291.399 1.024 10 30 CDEELP C=C(C)C[NH2+]CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001733141967 1183306107 /nfs/dbraw/zinc/30/61/07/1183306107.db2.gz QJAQFIGTUUSJIG-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001733525160 1183456513 /nfs/dbraw/zinc/45/65/13/1183456513.db2.gz BLYDCWWTBWJIMR-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001733579337 1183470868 /nfs/dbraw/zinc/47/08/68/1183470868.db2.gz LDOXTURZVXLILB-GASCZTMLSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001733579337 1183470872 /nfs/dbraw/zinc/47/08/72/1183470872.db2.gz LDOXTURZVXLILB-GASCZTMLSA-N 2 2 288.395 1.240 10 30 CDEELP C#C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCOCC1 ZINC000827555652 723781991 /nfs/dbraw/zinc/78/19/91/723781991.db2.gz YPEQGMATWGJKPA-IRXDYDNUSA-N 2 2 292.423 1.258 10 30 CDEELP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1Cc2ccccc2C1 ZINC000852861949 724296740 /nfs/dbraw/zinc/29/67/40/724296740.db2.gz NWFVWAFTZBTTJS-UHFFFAOYSA-N 2 2 297.402 1.121 10 30 CDEELP C=CC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878292911 725096635 /nfs/dbraw/zinc/09/66/35/725096635.db2.gz UMGQFNMPRCIADY-TZMCWYRMSA-N 2 2 265.401 1.365 10 30 CDEELP C=CC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878292911 725096640 /nfs/dbraw/zinc/09/66/40/725096640.db2.gz UMGQFNMPRCIADY-TZMCWYRMSA-N 2 2 265.401 1.365 10 30 CDEELP C[NH+]1CCC(CCO)([NH2+]Cc2csc(C#N)c2)CC1 ZINC000922212206 725157036 /nfs/dbraw/zinc/15/70/36/725157036.db2.gz OVKSMOUKVJIHNF-UHFFFAOYSA-N 2 2 279.409 1.556 10 30 CDEELP CN(CCC[NH+](C)C)CC/[NH+]=C/c1ccccc1O ZINC000849170098 725164641 /nfs/dbraw/zinc/16/46/41/725164641.db2.gz LANRSBUJKNADOI-DTQAZKPQSA-N 2 2 263.385 1.695 10 30 CDEELP CC1(C#N)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000310909604 725247186 /nfs/dbraw/zinc/24/71/86/725247186.db2.gz DSJSFQDJNQYYKU-CYBMUJFWSA-N 2 2 251.374 1.069 10 30 CDEELP CC[N@@H+]1CCC(=NNCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000848417522 725472730 /nfs/dbraw/zinc/47/27/30/725472730.db2.gz ARJXIZORALXZLO-CYBMUJFWSA-N 2 2 263.389 1.581 10 30 CDEELP CC[N@H+]1CCC(=NNCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000848417522 725472732 /nfs/dbraw/zinc/47/27/32/725472732.db2.gz ARJXIZORALXZLO-CYBMUJFWSA-N 2 2 263.389 1.581 10 30 CDEELP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000926777950 726005944 /nfs/dbraw/zinc/00/59/44/726005944.db2.gz MTVUJZFIBUBYOQ-OLZOCXBDSA-N 2 2 267.417 1.750 10 30 CDEELP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000926777950 726005945 /nfs/dbraw/zinc/00/59/45/726005945.db2.gz MTVUJZFIBUBYOQ-OLZOCXBDSA-N 2 2 267.417 1.750 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001691730820 1166551112 /nfs/dbraw/zinc/55/11/12/1166551112.db2.gz OGAGBTSLIQWFGW-GUTXKFCHSA-N 2 2 290.411 1.743 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001691730820 1166551120 /nfs/dbraw/zinc/55/11/20/1166551120.db2.gz OGAGBTSLIQWFGW-GUTXKFCHSA-N 2 2 290.411 1.743 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001691730820 1166551131 /nfs/dbraw/zinc/55/11/31/1166551131.db2.gz OGAGBTSLIQWFGW-GUTXKFCHSA-N 2 2 290.411 1.743 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001691730820 1166551141 /nfs/dbraw/zinc/55/11/41/1166551141.db2.gz OGAGBTSLIQWFGW-GUTXKFCHSA-N 2 2 290.411 1.743 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567150647 1168596738 /nfs/dbraw/zinc/59/67/38/1168596738.db2.gz HJVZUIXYFIAMJR-ZDUSSCGKSA-N 2 2 276.384 1.275 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567403400 1168737972 /nfs/dbraw/zinc/73/79/72/1168737972.db2.gz PDMBANJCDXVWLB-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567403400 1168737976 /nfs/dbraw/zinc/73/79/76/1168737976.db2.gz PDMBANJCDXVWLB-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567403400 1168737982 /nfs/dbraw/zinc/73/79/82/1168737982.db2.gz PDMBANJCDXVWLB-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567403400 1168737989 /nfs/dbraw/zinc/73/79/89/1168737989.db2.gz PDMBANJCDXVWLB-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C#CC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001266914650 896334169 /nfs/dbraw/zinc/33/41/69/896334169.db2.gz USGIKTRNSDVLNO-IYXRBSQSSA-N 2 2 288.395 1.239 10 30 CDEELP C#CC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001266914650 896334185 /nfs/dbraw/zinc/33/41/85/896334185.db2.gz USGIKTRNSDVLNO-IYXRBSQSSA-N 2 2 288.395 1.239 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001267308893 897556170 /nfs/dbraw/zinc/55/61/70/897556170.db2.gz HOAKXMJJRGLPAD-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001267308893 897556180 /nfs/dbraw/zinc/55/61/80/897556180.db2.gz HOAKXMJJRGLPAD-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001481250850 899666013 /nfs/dbraw/zinc/66/60/13/899666013.db2.gz RHVSVUKOXZBBBH-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481551319 901196227 /nfs/dbraw/zinc/19/62/27/901196227.db2.gz WIDIAYWRFWGJGJ-HNNXBMFYSA-N 2 2 279.428 1.627 10 30 CDEELP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481551319 901196231 /nfs/dbraw/zinc/19/62/31/901196231.db2.gz WIDIAYWRFWGJGJ-HNNXBMFYSA-N 2 2 279.428 1.627 10 30 CDEELP C#CCC[NH+]1CC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001481560102 901212213 /nfs/dbraw/zinc/21/22/13/901212213.db2.gz XRYIODUZIFLOLG-ZDUSSCGKSA-N 2 2 288.395 1.220 10 30 CDEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481991050 902443831 /nfs/dbraw/zinc/44/38/31/902443831.db2.gz IZFVNMOUJUMZMQ-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001482159504 902778343 /nfs/dbraw/zinc/77/83/43/902778343.db2.gz PGMXWGZVDXSSLI-ZDUSSCGKSA-N 2 2 278.400 1.271 10 30 CDEELP CC#CC[NH2+][C@H](CC)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001269477895 903844579 /nfs/dbraw/zinc/84/45/79/903844579.db2.gz WDQKTFVRSGOTQM-ZIAGYGMSSA-N 2 2 276.384 1.342 10 30 CDEELP C=C(C)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001270450665 904644342 /nfs/dbraw/zinc/64/43/42/904644342.db2.gz WVRFFYCZHXZDJF-AWEZNQCLSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001482439014 905417458 /nfs/dbraw/zinc/41/74/58/905417458.db2.gz JOESTUNKDSKPDZ-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001271700125 906605937 /nfs/dbraw/zinc/60/59/37/906605937.db2.gz PTITZQCVBZSNAY-KBPBESRZSA-N 2 2 290.411 1.223 10 30 CDEELP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484096194 915430316 /nfs/dbraw/zinc/43/03/16/915430316.db2.gz JPKUGCCAFABRRA-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484096194 915430329 /nfs/dbraw/zinc/43/03/29/915430329.db2.gz JPKUGCCAFABRRA-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP C#CC[NH+]1CCC([C@@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001486439194 921015016 /nfs/dbraw/zinc/01/50/16/921015016.db2.gz OLIYFIVUSVGBKN-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001490565620 927236387 /nfs/dbraw/zinc/23/63/87/927236387.db2.gz NVLTYEYTPZAYHL-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001490565620 927236400 /nfs/dbraw/zinc/23/64/00/927236400.db2.gz NVLTYEYTPZAYHL-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001490565620 927236417 /nfs/dbraw/zinc/23/64/17/927236417.db2.gz NVLTYEYTPZAYHL-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001490565620 927236429 /nfs/dbraw/zinc/23/64/29/927236429.db2.gz NVLTYEYTPZAYHL-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568495934 1169330939 /nfs/dbraw/zinc/33/09/39/1169330939.db2.gz BHRYQSQMVGZGNE-CHWSQXEVSA-N 2 2 276.384 1.100 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568495934 1169330949 /nfs/dbraw/zinc/33/09/49/1169330949.db2.gz BHRYQSQMVGZGNE-CHWSQXEVSA-N 2 2 276.384 1.100 10 30 CDEELP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275945997 932161077 /nfs/dbraw/zinc/16/10/77/932161077.db2.gz QGZCVOQJCSCHAB-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275945997 932161078 /nfs/dbraw/zinc/16/10/78/932161078.db2.gz QGZCVOQJCSCHAB-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001282681343 942739045 /nfs/dbraw/zinc/73/90/45/942739045.db2.gz HCAGBAYVCWQGFA-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001282681343 942739051 /nfs/dbraw/zinc/73/90/51/942739051.db2.gz HCAGBAYVCWQGFA-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001264744250 944173598 /nfs/dbraw/zinc/17/35/98/944173598.db2.gz OZGWLJAWOOPGAX-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C#CCC[N@H+](CC)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001265143762 944248117 /nfs/dbraw/zinc/24/81/17/944248117.db2.gz QDKXYFSVULHETQ-UHFFFAOYSA-N 2 2 276.384 1.112 10 30 CDEELP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265654019 944459799 /nfs/dbraw/zinc/45/97/99/944459799.db2.gz MAJSBQKTNBDKMJ-GJZGRUSLSA-N 2 2 288.395 1.438 10 30 CDEELP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265654019 944459800 /nfs/dbraw/zinc/45/98/00/944459800.db2.gz MAJSBQKTNBDKMJ-GJZGRUSLSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266151977 944717459 /nfs/dbraw/zinc/71/74/59/944717459.db2.gz JMLHAUNOLINQMZ-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266151977 944717466 /nfs/dbraw/zinc/71/74/66/944717466.db2.gz JMLHAUNOLINQMZ-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001278120655 944879837 /nfs/dbraw/zinc/87/98/37/944879837.db2.gz VUIIODRZORKCLG-CQSZACIVSA-N 2 2 291.395 1.263 10 30 CDEELP C=CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001479878481 971466557 /nfs/dbraw/zinc/46/65/57/971466557.db2.gz ZQJPOFDXKTXRSH-UHFFFAOYSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001479878481 971466560 /nfs/dbraw/zinc/46/65/60/971466560.db2.gz ZQJPOFDXKTXRSH-UHFFFAOYSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001491820198 955450277 /nfs/dbraw/zinc/45/02/77/955450277.db2.gz PIBUTKMPCGMVFW-ZDUSSCGKSA-N 2 2 284.363 1.572 10 30 CDEELP N#CCCCC[C@H]([NH3+])c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001329122351 955700277 /nfs/dbraw/zinc/70/02/77/955700277.db2.gz XYRNKEBPLZCYGB-STQMWFEESA-N 2 2 289.383 1.963 10 30 CDEELP C#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001317513186 956769621 /nfs/dbraw/zinc/76/96/21/956769621.db2.gz IJNCQQKBSTWPSI-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001317513186 956769629 /nfs/dbraw/zinc/76/96/29/956769629.db2.gz IJNCQQKBSTWPSI-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317513186 956769635 /nfs/dbraw/zinc/76/96/35/956769635.db2.gz IJNCQQKBSTWPSI-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317513186 956769640 /nfs/dbraw/zinc/76/96/40/956769640.db2.gz IJNCQQKBSTWPSI-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001317199244 957339213 /nfs/dbraw/zinc/33/92/13/957339213.db2.gz QQFCGKWPWXEKRL-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001317555319 957548942 /nfs/dbraw/zinc/54/89/42/957548942.db2.gz NPETUBZHTGEJRI-UHFFFAOYSA-N 2 2 284.363 1.715 10 30 CDEELP C=CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001317555319 957548945 /nfs/dbraw/zinc/54/89/45/957548945.db2.gz NPETUBZHTGEJRI-UHFFFAOYSA-N 2 2 284.363 1.715 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001332823198 957862952 /nfs/dbraw/zinc/86/29/52/957862952.db2.gz MVJWIIKBOVIKSD-ZDUSSCGKSA-N 2 2 292.427 1.659 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367546619 958126895 /nfs/dbraw/zinc/12/68/95/958126895.db2.gz QXHKXKIKCAYJQD-UHFFFAOYSA-N 2 2 285.819 1.225 10 30 CDEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367546619 958126904 /nfs/dbraw/zinc/12/69/04/958126904.db2.gz QXHKXKIKCAYJQD-UHFFFAOYSA-N 2 2 285.819 1.225 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320021136 958876347 /nfs/dbraw/zinc/87/63/47/958876347.db2.gz NWCOIHISHUJNEY-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320021136 958876366 /nfs/dbraw/zinc/87/63/66/958876366.db2.gz NWCOIHISHUJNEY-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001336784754 960584873 /nfs/dbraw/zinc/58/48/73/960584873.db2.gz VFHODKDXRFBRAE-QGZVFWFLSA-N 2 2 283.375 1.279 10 30 CDEELP C=CCC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC001560199759 960878371 /nfs/dbraw/zinc/87/83/71/960878371.db2.gz CJVHDULNDPCHFX-LSDHHAIUSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC001560199759 960878384 /nfs/dbraw/zinc/87/83/84/960878384.db2.gz CJVHDULNDPCHFX-LSDHHAIUSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC001560199759 960878410 /nfs/dbraw/zinc/87/84/10/960878410.db2.gz CJVHDULNDPCHFX-LSDHHAIUSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC001560199759 960878420 /nfs/dbraw/zinc/87/84/20/960878420.db2.gz CJVHDULNDPCHFX-LSDHHAIUSA-N 2 2 270.417 1.356 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001569524415 1169910248 /nfs/dbraw/zinc/91/02/48/1169910248.db2.gz ZRLUXZZFRGABNS-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001498661808 974014785 /nfs/dbraw/zinc/01/47/85/974014785.db2.gz ZNTMLBOCNZYGDU-UHFFFAOYSA-N 2 2 270.764 1.074 10 30 CDEELP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001500280762 974414131 /nfs/dbraw/zinc/41/41/31/974414131.db2.gz JXSAZELNZGZXRS-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001500280762 974414134 /nfs/dbraw/zinc/41/41/34/974414134.db2.gz JXSAZELNZGZXRS-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594034996 342868387 /nfs/dbraw/zinc/86/83/87/342868387.db2.gz IEWGYYUIYXKMPJ-QGZVFWFLSA-N 2 2 299.418 1.982 10 30 CDEELP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594034996 342868388 /nfs/dbraw/zinc/86/83/88/342868388.db2.gz IEWGYYUIYXKMPJ-QGZVFWFLSA-N 2 2 299.418 1.982 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000594465074 342904892 /nfs/dbraw/zinc/90/48/92/342904892.db2.gz URTLXGOUZSZDHI-LBPRGKRZSA-N 2 2 275.356 1.021 10 30 CDEELP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440270 342907166 /nfs/dbraw/zinc/90/71/66/342907166.db2.gz BGWVIWPSSBPKEU-ZDUSSCGKSA-N 2 2 289.383 1.175 10 30 CDEELP CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c[nH+]1 ZINC000594441039 342907319 /nfs/dbraw/zinc/90/73/19/342907319.db2.gz LLKIBYYKXCYHKP-ZDUSSCGKSA-N 2 2 289.383 1.175 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000600724783 342245248 /nfs/dbraw/zinc/24/52/48/342245248.db2.gz ZZJLJQUOQUXPST-KGLIPLIRSA-N 2 2 263.385 1.115 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000600724783 342245249 /nfs/dbraw/zinc/24/52/49/342245249.db2.gz ZZJLJQUOQUXPST-KGLIPLIRSA-N 2 2 263.385 1.115 10 30 CDEELP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632871 343113951 /nfs/dbraw/zinc/11/39/51/343113951.db2.gz INNHCZUTFBZMLL-HNNXBMFYSA-N 2 2 275.396 1.696 10 30 CDEELP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632871 343113952 /nfs/dbraw/zinc/11/39/52/343113952.db2.gz INNHCZUTFBZMLL-HNNXBMFYSA-N 2 2 275.396 1.696 10 30 CDEELP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000596654519 343372288 /nfs/dbraw/zinc/37/22/88/343372288.db2.gz PXIHQSOTKQKLRF-NRAUKZCXSA-N 2 2 253.349 1.887 10 30 CDEELP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449394196 362689742 /nfs/dbraw/zinc/68/97/42/362689742.db2.gz FHHTUCSGNPPALR-RDBSUJKOSA-N 2 2 251.374 1.115 10 30 CDEELP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449394196 362689747 /nfs/dbraw/zinc/68/97/47/362689747.db2.gz FHHTUCSGNPPALR-RDBSUJKOSA-N 2 2 251.374 1.115 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000337200066 360020370 /nfs/dbraw/zinc/02/03/70/360020370.db2.gz ZHFMGPHGESFHQW-MJBXVCDLSA-N 2 2 265.401 1.188 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC000337200066 360020372 /nfs/dbraw/zinc/02/03/72/360020372.db2.gz ZHFMGPHGESFHQW-MJBXVCDLSA-N 2 2 265.401 1.188 10 30 CDEELP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC000337200066 360020374 /nfs/dbraw/zinc/02/03/74/360020374.db2.gz ZHFMGPHGESFHQW-MJBXVCDLSA-N 2 2 265.401 1.188 10 30 CDEELP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC000337200066 360020375 /nfs/dbraw/zinc/02/03/75/360020375.db2.gz ZHFMGPHGESFHQW-MJBXVCDLSA-N 2 2 265.401 1.188 10 30 CDEELP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247090719 361009030 /nfs/dbraw/zinc/00/90/30/361009030.db2.gz XNAOAQHEVMSUIB-UONOGXRCSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247090719 361009035 /nfs/dbraw/zinc/00/90/35/361009035.db2.gz XNAOAQHEVMSUIB-UONOGXRCSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247090719 361009038 /nfs/dbraw/zinc/00/90/38/361009038.db2.gz XNAOAQHEVMSUIB-UONOGXRCSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247090719 361009043 /nfs/dbraw/zinc/00/90/43/361009043.db2.gz XNAOAQHEVMSUIB-UONOGXRCSA-N 2 2 280.416 1.163 10 30 CDEELP CCNC(NCCc1[nH+]ccn1C(F)F)=[NH+]CC ZINC000066246770 374180638 /nfs/dbraw/zinc/18/06/38/374180638.db2.gz RZYMQLFEMMJJFD-UHFFFAOYSA-N 2 2 259.304 1.396 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001662373209 1172539055 /nfs/dbraw/zinc/53/90/55/1172539055.db2.gz QKTKPOHIBNAIHX-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001663124270 1172637641 /nfs/dbraw/zinc/63/76/41/1172637641.db2.gz VDUJIFMOEDIKKI-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001663124270 1172637644 /nfs/dbraw/zinc/63/76/44/1172637644.db2.gz VDUJIFMOEDIKKI-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP CN(C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)C1(C#N)CCCCC1 ZINC000044530618 175195387 /nfs/dbraw/zinc/19/53/87/175195387.db2.gz KEDPLPJYIHHCSX-CQSZACIVSA-N 2 2 292.427 1.342 10 30 CDEELP CN(C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)C1(C#N)CCCCC1 ZINC000044530618 175195389 /nfs/dbraw/zinc/19/53/89/175195389.db2.gz KEDPLPJYIHHCSX-CQSZACIVSA-N 2 2 292.427 1.342 10 30 CDEELP CC[NH+]1CCN(CC[C@](C)(C#N)[NH2+]C(C)C)CC1 ZINC000045178791 175324387 /nfs/dbraw/zinc/32/43/87/175324387.db2.gz MIIAISPJCYVMHA-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP CC#CC[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001666252959 1173121944 /nfs/dbraw/zinc/12/19/44/1173121944.db2.gz QCURKGGLDVMOSW-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C=CCOc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415056412 263258572 /nfs/dbraw/zinc/25/85/72/263258572.db2.gz OIVHXUGPRRCMGF-CYBMUJFWSA-N 2 2 250.342 1.003 10 30 CDEELP C=CCOc1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415056412 263258573 /nfs/dbraw/zinc/25/85/73/263258573.db2.gz OIVHXUGPRRCMGF-CYBMUJFWSA-N 2 2 250.342 1.003 10 30 CDEELP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000548317598 289868944 /nfs/dbraw/zinc/86/89/44/289868944.db2.gz AAANHXCQBORKRR-CYBMUJFWSA-N 2 2 292.346 1.507 10 30 CDEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H](C)c1ccc(C)o1 ZINC000261768028 329982482 /nfs/dbraw/zinc/98/24/82/329982482.db2.gz GMPPUZCPBTUABA-LBPRGKRZSA-N 2 2 264.373 1.520 10 30 CDEELP CC[C@H]1C[N@H+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CCO1 ZINC000262830735 330034691 /nfs/dbraw/zinc/03/46/91/330034691.db2.gz ZTMGPRZXMGNJMT-KGLIPLIRSA-N 2 2 282.432 1.144 10 30 CDEELP CC[C@H]1C[N@@H+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CCO1 ZINC000262830735 330034693 /nfs/dbraw/zinc/03/46/93/330034693.db2.gz ZTMGPRZXMGNJMT-KGLIPLIRSA-N 2 2 282.432 1.144 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482879217 1160639569 /nfs/dbraw/zinc/63/95/69/1160639569.db2.gz PVWHBIFVHCTZFT-KGLIPLIRSA-N 2 2 276.384 1.342 10 30 CDEELP CC[C@@H](C)[NH+]1CCN(CC[C@@H](C#N)[NH2+]C(C)C)CC1 ZINC000062438979 522120479 /nfs/dbraw/zinc/12/04/79/522120479.db2.gz JGTRRUXRRBSQCQ-CABCVRRESA-N 2 2 266.433 1.683 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001733974574 1183595502 /nfs/dbraw/zinc/59/55/02/1183595502.db2.gz ITVJJBQSYRXYGN-VXGBXAGGSA-N 2 2 264.373 1.401 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001733974574 1183595507 /nfs/dbraw/zinc/59/55/07/1183595507.db2.gz ITVJJBQSYRXYGN-VXGBXAGGSA-N 2 2 264.373 1.401 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061837 613520609 /nfs/dbraw/zinc/52/06/09/613520609.db2.gz RGTCDVQIXPNQGK-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061837 613520611 /nfs/dbraw/zinc/52/06/11/613520611.db2.gz RGTCDVQIXPNQGK-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614351 630106237 /nfs/dbraw/zinc/10/62/37/630106237.db2.gz MCFLKWYGFVFDQF-UHFFFAOYSA-N 2 2 264.373 1.242 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691119895 1158920276 /nfs/dbraw/zinc/92/02/76/1158920276.db2.gz ASTZVACNKCUBHG-MCIONIFRSA-N 2 2 290.411 1.791 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001272152090 1160660984 /nfs/dbraw/zinc/66/09/84/1160660984.db2.gz OEVBYXUSKQQTHB-AWEZNQCLSA-N 2 2 292.427 1.708 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001272152090 1160660987 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/nfs/dbraw/zinc/96/91/40/902969140.db2.gz JUPXURYRJRXYLP-LBPRGKRZSA-N 2 2 284.363 1.374 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001271645729 906566721 /nfs/dbraw/zinc/56/67/21/906566721.db2.gz PHMWWMNKNAOOOK-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001271645729 906566728 /nfs/dbraw/zinc/56/67/28/906566728.db2.gz PHMWWMNKNAOOOK-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001483188726 909932141 /nfs/dbraw/zinc/93/21/41/909932141.db2.gz TVWQINNLTFLRLH-NWDGAFQWSA-N 2 2 278.400 1.710 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001483438015 911117677 /nfs/dbraw/zinc/11/76/77/911117677.db2.gz IZQPFXDNPVEMAQ-HUUCEWRRSA-N 2 2 288.395 1.171 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC ZINC001483619311 911375327 /nfs/dbraw/zinc/37/53/27/911375327.db2.gz AXBBJPFULXDVNN-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001483619312 911377122 /nfs/dbraw/zinc/37/71/22/911377122.db2.gz AXBBJPFULXDVNN-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485254513 916697406 /nfs/dbraw/zinc/69/74/06/916697406.db2.gz ZNTJWCIWKBHOSS-CHWSQXEVSA-N 2 2 290.411 1.773 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485254513 916697414 /nfs/dbraw/zinc/69/74/14/916697414.db2.gz ZNTJWCIWKBHOSS-CHWSQXEVSA-N 2 2 290.411 1.773 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485384744 916924922 /nfs/dbraw/zinc/92/49/22/916924922.db2.gz XZEKDSBFANIYLR-VXGBXAGGSA-N 2 2 273.808 1.127 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485384744 916924929 /nfs/dbraw/zinc/92/49/29/916924929.db2.gz XZEKDSBFANIYLR-VXGBXAGGSA-N 2 2 273.808 1.127 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001485384744 916924935 /nfs/dbraw/zinc/92/49/35/916924935.db2.gz XZEKDSBFANIYLR-VXGBXAGGSA-N 2 2 273.808 1.127 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001485384744 916924944 /nfs/dbraw/zinc/92/49/44/916924944.db2.gz XZEKDSBFANIYLR-VXGBXAGGSA-N 2 2 273.808 1.127 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490902721 936684909 /nfs/dbraw/zinc/68/49/09/936684909.db2.gz RDXVJFWAWVUNSG-RBSFLKMASA-N 2 2 290.411 1.893 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001489307271 926860620 /nfs/dbraw/zinc/86/06/20/926860620.db2.gz INFOWWNNGHMVNK-KGLIPLIRSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001489307271 926860630 /nfs/dbraw/zinc/86/06/30/926860630.db2.gz INFOWWNNGHMVNK-KGLIPLIRSA-N 2 2 290.411 1.806 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001568682663 1169429616 /nfs/dbraw/zinc/42/96/16/1169429616.db2.gz OTMPBJTWNUTDOD-SNVBAGLBSA-N 2 2 270.764 1.189 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001280376934 942431499 /nfs/dbraw/zinc/43/14/99/942431499.db2.gz YSTUNTHCDIXBNF-HDJSIYSDSA-N 2 2 290.411 1.793 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001283452651 942900179 /nfs/dbraw/zinc/90/01/79/942900179.db2.gz PKZWRNRDBHUCDD-CQSZACIVSA-N 2 2 298.390 1.702 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001284244995 943129360 /nfs/dbraw/zinc/12/93/60/943129360.db2.gz RYLJGUPBPQFUGS-KBPBESRZSA-N 2 2 290.411 1.413 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265560522 944428582 /nfs/dbraw/zinc/42/85/82/944428582.db2.gz UIOIUQDUXXHUDV-UTUOFQBUSA-N 2 2 262.357 1.011 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265560522 944428586 /nfs/dbraw/zinc/42/85/86/944428586.db2.gz UIOIUQDUXXHUDV-UTUOFQBUSA-N 2 2 262.357 1.011 10 30 CDEELP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266075382 944667000 /nfs/dbraw/zinc/66/70/00/944667000.db2.gz MRYZVEKUWUKXEJ-ZIAGYGMSSA-N 2 2 288.395 1.003 10 30 CDEELP C#CC[N@@H+](CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001266162175 944726053 /nfs/dbraw/zinc/72/60/53/944726053.db2.gz TWZJNJXSVAHSPB-CQSZACIVSA-N 2 2 288.395 1.438 10 30 CDEELP C#CC[N@H+](CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001266162175 944726060 /nfs/dbraw/zinc/72/60/60/944726060.db2.gz TWZJNJXSVAHSPB-CQSZACIVSA-N 2 2 288.395 1.438 10 30 CDEELP C=CCCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001326913724 954617302 /nfs/dbraw/zinc/61/73/02/954617302.db2.gz SEDNFVIRVJTIQU-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001329588607 956004643 /nfs/dbraw/zinc/00/46/43/956004643.db2.gz NVXWRFADIZDPKY-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001329588607 956004651 /nfs/dbraw/zinc/00/46/51/956004651.db2.gz NVXWRFADIZDPKY-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)Cc1[nH]c[nH+]c1C ZINC001329899547 956168794 /nfs/dbraw/zinc/16/87/94/956168794.db2.gz FQSFUJHJUJAYKZ-CQSZACIVSA-N 2 2 290.411 1.549 10 30 CDEELP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001331614604 957168153 /nfs/dbraw/zinc/16/81/53/957168153.db2.gz HXJHBTFPOVXCRW-LBPRGKRZSA-N 2 2 276.384 1.147 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001317282831 957403154 /nfs/dbraw/zinc/40/31/54/957403154.db2.gz WZDMIRSYXUMVOI-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCC(C)C)C1 ZINC001318032027 957872888 /nfs/dbraw/zinc/87/28/88/957872888.db2.gz ODIXDWZYAJJOMY-INIZCTEOSA-N 2 2 291.439 1.321 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCC(C)C)C1 ZINC001318032027 957872903 /nfs/dbraw/zinc/87/29/03/957872903.db2.gz ODIXDWZYAJJOMY-INIZCTEOSA-N 2 2 291.439 1.321 10 30 CDEELP C#CCC[NH2+][C@@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001318523381 958153482 /nfs/dbraw/zinc/15/34/82/958153482.db2.gz 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ZINC000594505850 342914864 /nfs/dbraw/zinc/91/48/64/342914864.db2.gz CGMKCBSHNVCLOE-BPUTZDHNSA-N 2 2 277.412 1.912 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960393 342282433 /nfs/dbraw/zinc/28/24/33/342282433.db2.gz RQINERPEAXRFBS-OAHLLOKOSA-N 2 2 264.413 1.975 10 30 CDEELP Cc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C#N)c[nH+]1 ZINC000596309439 343294104 /nfs/dbraw/zinc/29/41/04/343294104.db2.gz RWKYYZZXYHTWQN-ZDUSSCGKSA-N 2 2 258.369 1.968 10 30 CDEELP Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C#N)c[nH+]1 ZINC000596309439 343294106 /nfs/dbraw/zinc/29/41/06/343294106.db2.gz RWKYYZZXYHTWQN-ZDUSSCGKSA-N 2 2 258.369 1.968 10 30 CDEELP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352792718 374356187 /nfs/dbraw/zinc/35/61/87/374356187.db2.gz CPBVRQNOQCHOJI-NSHDSACASA-N 2 2 264.398 1.836 10 30 CDEELP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352792718 374356191 /nfs/dbraw/zinc/35/61/91/374356191.db2.gz CPBVRQNOQCHOJI-NSHDSACASA-N 2 2 264.398 1.836 10 30 CDEELP C=CC[NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001662121209 1172483955 /nfs/dbraw/zinc/48/39/55/1172483955.db2.gz FDFMGVNEYSETIQ-UHFFFAOYSA-N 2 2 276.384 1.476 10 30 CDEELP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515824 376003087 /nfs/dbraw/zinc/00/30/87/376003087.db2.gz FYKIMGMTYLUJLL-ZIAGYGMSSA-N 2 2 288.395 1.506 10 30 CDEELP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515824 376003090 /nfs/dbraw/zinc/00/30/90/376003090.db2.gz FYKIMGMTYLUJLL-ZIAGYGMSSA-N 2 2 288.395 1.506 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001662263060 1172517869 /nfs/dbraw/zinc/51/78/69/1172517869.db2.gz OEGRERDAQRAMIL-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP CC[NH+](CC)CC[C@@H](CO)Nc1cc(C)[nH+]cc1C#N ZINC000425265230 393009355 /nfs/dbraw/zinc/00/93/55/393009355.db2.gz ZEAOZVBFRJLNOX-AWEZNQCLSA-N 2 2 276.384 1.188 10 30 CDEELP C#CC[NH+]1CCC(N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000037321641 173121841 /nfs/dbraw/zinc/12/18/41/173121841.db2.gz QDQYRCIUVCSPDP-INIZCTEOSA-N 2 2 265.445 1.650 10 30 CDEELP C=CC[N@H+](CCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662252611 414588214 /nfs/dbraw/zinc/58/82/14/414588214.db2.gz BULSVQNKZNXLMG-MRXNPFEDSA-N 2 2 260.381 1.706 10 30 CDEELP C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662252611 414588217 /nfs/dbraw/zinc/58/82/17/414588217.db2.gz BULSVQNKZNXLMG-MRXNPFEDSA-N 2 2 260.381 1.706 10 30 CDEELP N#Cc1ccc(OCC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044558299 175203051 /nfs/dbraw/zinc/20/30/51/175203051.db2.gz IZXYEFFRWMDPAO-AWEZNQCLSA-N 2 2 259.353 1.750 10 30 CDEELP N#Cc1ccc(OCC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044558299 175203053 /nfs/dbraw/zinc/20/30/53/175203053.db2.gz IZXYEFFRWMDPAO-AWEZNQCLSA-N 2 2 259.353 1.750 10 30 CDEELP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189115 176064301 /nfs/dbraw/zinc/06/43/01/176064301.db2.gz JYDIATGXRFTEDG-CQSZACIVSA-N 2 2 286.379 1.380 10 30 CDEELP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189115 176064302 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CO[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](OC)C2)C1 ZINC000341878432 263362203 /nfs/dbraw/zinc/36/22/03/263362203.db2.gz UKKRVOSORZZIEO-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP C=CCC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001673475151 1173861213 /nfs/dbraw/zinc/86/12/13/1173861213.db2.gz UHGYVCRVDJRKTN-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CCC[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001673475151 1173861223 /nfs/dbraw/zinc/86/12/23/1173861223.db2.gz UHGYVCRVDJRKTN-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423092478 330169228 /nfs/dbraw/zinc/16/92/28/330169228.db2.gz CAGNDJQRLRWAJA-FPCVCCKLSA-N 2 2 280.412 1.324 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001691523972 1160304934 /nfs/dbraw/zinc/30/49/34/1160304934.db2.gz TXJQHEFAVAMOAI-IHRRRGAJSA-N 2 2 276.384 1.505 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731786478 1182577102 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C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690191804 1175400003 /nfs/dbraw/zinc/40/00/03/1175400003.db2.gz AKZVHTRIDTVQFQ-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939856446 613386858 /nfs/dbraw/zinc/38/68/58/613386858.db2.gz MFUGWXUVZPPEPF-PWSUYJOCSA-N 2 2 282.775 1.072 10 30 CDEELP C=CC[NH+]1CCC([NH2+]C[C@](O)(CC)C(F)(F)F)CC1 ZINC000905093845 626635420 /nfs/dbraw/zinc/63/54/20/626635420.db2.gz CLWYJWVQIMDCHB-GFCCVEGCSA-N 2 2 280.334 1.930 10 30 CDEELP C=CC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001692030303 1158965307 /nfs/dbraw/zinc/96/53/07/1158965307.db2.gz KPMIZKRROZXOEV-UHFFFAOYSA-N 2 2 276.384 1.240 10 30 CDEELP C=CC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001692030303 1158965310 /nfs/dbraw/zinc/96/53/10/1158965310.db2.gz KPMIZKRROZXOEV-UHFFFAOYSA-N 2 2 276.384 1.240 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691156233 1158936704 /nfs/dbraw/zinc/93/67/04/1158936704.db2.gz OHHUOYAQZCNXBD-HDJSIYSDSA-N 2 2 296.374 1.456 10 30 CDEELP C=CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001567444877 1168767298 /nfs/dbraw/zinc/76/72/98/1168767298.db2.gz QIOYWIZNENCDTH-ZDUSSCGKSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001567444877 1168767304 /nfs/dbraw/zinc/76/73/04/1168767304.db2.gz QIOYWIZNENCDTH-ZDUSSCGKSA-N 2 2 288.395 1.212 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001570011182 1170058343 /nfs/dbraw/zinc/05/83/43/1170058343.db2.gz GKHVWYUJJXNZTQ-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001662010592 1172475887 /nfs/dbraw/zinc/47/58/87/1172475887.db2.gz LQEAZMDOYITPJV-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001662010592 1172475892 /nfs/dbraw/zinc/47/58/92/1172475892.db2.gz LQEAZMDOYITPJV-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001667392764 1173263250 /nfs/dbraw/zinc/26/32/50/1173263250.db2.gz DHTIIWGDMXFXCH-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001668493613 1173418925 /nfs/dbraw/zinc/41/89/25/1173418925.db2.gz OQSPPLBBZNBUKB-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001671790720 1173712065 /nfs/dbraw/zinc/71/20/65/1173712065.db2.gz VSPRYLVPGFSHJQ-BBRMVZONSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001671790720 1173712071 /nfs/dbraw/zinc/71/20/71/1173712071.db2.gz VSPRYLVPGFSHJQ-BBRMVZONSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001672944004 1173810742 /nfs/dbraw/zinc/81/07/42/1173810742.db2.gz VQVYVPWDTMFRGW-CYBMUJFWSA-N 2 2 296.374 1.552 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001673193793 1173834720 /nfs/dbraw/zinc/83/47/20/1173834720.db2.gz OTQDTKDQTPFTJA-UHFFFAOYSA-N 2 2 262.357 1.088 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690293783 1175428955 /nfs/dbraw/zinc/42/89/55/1175428955.db2.gz HADVDJOCBVVZHO-AVGNSLFASA-N 2 2 276.384 1.544 10 30 CDEELP C#CCC[N@@H+](C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001690949965 1175623811 /nfs/dbraw/zinc/62/38/11/1175623811.db2.gz HBNZWZRGKPTJEN-OAHLLOKOSA-N 2 2 290.411 1.542 10 30 CDEELP C#CCC[N@H+](C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001690949965 1175623816 /nfs/dbraw/zinc/62/38/16/1175623816.db2.gz HBNZWZRGKPTJEN-OAHLLOKOSA-N 2 2 290.411 1.542 10 30 CDEELP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001691830245 1175632878 /nfs/dbraw/zinc/63/28/78/1175632878.db2.gz INJUGSASTOBAFZ-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001698605150 1175869314 /nfs/dbraw/zinc/86/93/14/1175869314.db2.gz PGGDVQPUPVYKOQ-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001698772694 1175926746 /nfs/dbraw/zinc/92/67/46/1175926746.db2.gz MKGCSFQHGREVLJ-NSHDSACASA-N 2 2 264.373 1.179 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001698846872 1175961512 /nfs/dbraw/zinc/96/15/12/1175961512.db2.gz DPLWGJIEWMOWOO-OLZOCXBDSA-N 2 2 278.400 1.743 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001698944571 1175991342 /nfs/dbraw/zinc/99/13/42/1175991342.db2.gz BICRQYHFMQGOJE-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC001698979186 1176004573 /nfs/dbraw/zinc/00/45/73/1176004573.db2.gz IICOERGAQFEBJJ-OAHLLOKOSA-N 2 2 290.411 1.106 10 30 CDEELP C#CCC[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699412921 1176378623 /nfs/dbraw/zinc/37/86/23/1176378623.db2.gz AXGLFYWYJQGAOV-AWEZNQCLSA-N 2 2 296.374 1.604 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823658 1176642946 /nfs/dbraw/zinc/64/29/46/1176642946.db2.gz IWLCHKSYRZEHOH-HNNXBMFYSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823658 1176642953 /nfs/dbraw/zinc/64/29/53/1176642953.db2.gz IWLCHKSYRZEHOH-HNNXBMFYSA-N 2 2 276.384 1.430 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001701025122 1177243308 /nfs/dbraw/zinc/24/33/08/1177243308.db2.gz CPQDSSHVOJCTQK-OPFPJEHXSA-N 2 2 288.395 1.191 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001701025122 1177243315 /nfs/dbraw/zinc/24/33/15/1177243315.db2.gz CPQDSSHVOJCTQK-OPFPJEHXSA-N 2 2 288.395 1.191 10 30 CDEELP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001707147611 1177957763 /nfs/dbraw/zinc/95/77/63/1177957763.db2.gz ZUGSLJLRCJVEJJ-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001713510914 1178616326 /nfs/dbraw/zinc/61/63/26/1178616326.db2.gz JRLJNBQVZJOLEL-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001713510914 1178616330 /nfs/dbraw/zinc/61/63/30/1178616330.db2.gz JRLJNBQVZJOLEL-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001713879287 1178809990 /nfs/dbraw/zinc/80/99/90/1178809990.db2.gz PQHGLXCIFIZGKG-IUODEOHRSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001713879287 1178810000 /nfs/dbraw/zinc/81/00/00/1178810000.db2.gz PQHGLXCIFIZGKG-IUODEOHRSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001716067280 1180028934 /nfs/dbraw/zinc/02/89/34/1180028934.db2.gz ZOBXLZYDXIYPKY-KGLIPLIRSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001716150750 1180074069 /nfs/dbraw/zinc/07/40/69/1180074069.db2.gz FJMYHMWVXUZDLG-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001716824928 1180425169 /nfs/dbraw/zinc/42/51/69/1180425169.db2.gz NGZUTWMICBPUPU-HNNXBMFYSA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC001717153216 1180551113 /nfs/dbraw/zinc/55/11/13/1180551113.db2.gz ODBXEPPHWYPUNE-ZDUSSCGKSA-N 2 2 288.395 1.260 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001717825334 1180882550 /nfs/dbraw/zinc/88/25/50/1180882550.db2.gz FDJCMEZHPISOGN-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001724848577 1181773121 /nfs/dbraw/zinc/77/31/21/1181773121.db2.gz NROBWVKERMFQHF-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001724848577 1181773125 /nfs/dbraw/zinc/77/31/25/1181773125.db2.gz NROBWVKERMFQHF-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001724950253 1181804762 /nfs/dbraw/zinc/80/47/62/1181804762.db2.gz SITLXPJCRLVMOK-HIFRSBDPSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001725111179 1181867795 /nfs/dbraw/zinc/86/77/95/1181867795.db2.gz SOJLPQBHKPSCPQ-NEPJUHHUSA-N 2 2 264.373 1.401 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001732059746 1182745953 /nfs/dbraw/zinc/74/59/53/1182745953.db2.gz MPDYIBQAINYBRQ-AWEZNQCLSA-N 2 2 288.395 1.112 10 30 CDEELP CC#CC[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001732059746 1182745958 /nfs/dbraw/zinc/74/59/58/1182745958.db2.gz MPDYIBQAINYBRQ-AWEZNQCLSA-N 2 2 288.395 1.112 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733314205 1183393322 /nfs/dbraw/zinc/39/33/22/1183393322.db2.gz ZWHKZKYSLHOVAY-UHFFFAOYSA-N 2 2 265.401 1.047 10 30 CDEELP C(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N2CCCC2)nc1 ZINC000848417512 730513885 /nfs/dbraw/zinc/51/38/85/730513885.db2.gz ASAFKDFCLLYMKU-UHFFFAOYSA-N 2 2 298.394 1.892 10 30 CDEELP CC(C)[C@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCOCC1 ZINC000303785317 731561973 /nfs/dbraw/zinc/56/19/73/731561973.db2.gz QEMRAWKPKDHYFZ-HNNXBMFYSA-N 2 2 296.459 1.580 10 30 CDEELP C[NH+](Cc1cncc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000721605477 732454584 /nfs/dbraw/zinc/45/45/84/732454584.db2.gz LSMOLEACHTVRTD-ZDUSSCGKSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1cncc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000721605477 732454594 /nfs/dbraw/zinc/45/45/94/732454594.db2.gz LSMOLEACHTVRTD-ZDUSSCGKSA-N 2 2 258.369 1.727 10 30 CDEELP C[N@@H+](Cc1cncc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000721605477 732454565 /nfs/dbraw/zinc/45/45/65/732454565.db2.gz LSMOLEACHTVRTD-ZDUSSCGKSA-N 2 2 258.369 1.727 10 30 CDEELP C[N@H+](Cc1cncc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000721605477 732454573 /nfs/dbraw/zinc/45/45/73/732454573.db2.gz LSMOLEACHTVRTD-ZDUSSCGKSA-N 2 2 258.369 1.727 10 30 CDEELP C=CC[C@@H](C)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254963 732851215 /nfs/dbraw/zinc/85/12/15/732851215.db2.gz UUQTYQDJOUQBLU-CQSZACIVSA-N 2 2 279.428 1.757 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001642207377 1167161030 /nfs/dbraw/zinc/16/10/30/1167161030.db2.gz OCDWBQKYZSSFCU-JKSUJKDBSA-N 2 2 263.429 1.500 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001642207377 1167161032 /nfs/dbraw/zinc/16/10/32/1167161032.db2.gz OCDWBQKYZSSFCU-JKSUJKDBSA-N 2 2 263.429 1.500 10 30 CDEELP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001566467769 1168289735 /nfs/dbraw/zinc/28/97/35/1168289735.db2.gz HNELXGFDDYDUNM-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001566467769 1168289742 /nfs/dbraw/zinc/28/97/42/1168289742.db2.gz HNELXGFDDYDUNM-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001566537284 1168325198 /nfs/dbraw/zinc/32/51/98/1168325198.db2.gz MNUTUIYQHUVZOT-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001266244803 893901079 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C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001482024020 902480320 /nfs/dbraw/zinc/48/03/20/902480320.db2.gz IWHRAMOWRXBYQH-MGPQQGTHSA-N 2 2 290.411 1.791 10 30 CDEELP C=C(Cl)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C ZINC001268625547 902839135 /nfs/dbraw/zinc/83/91/35/902839135.db2.gz PRRRIJSTUSZLPC-ONEGZZNKSA-N 2 2 282.775 1.206 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001269356911 903731154 /nfs/dbraw/zinc/73/11/54/903731154.db2.gz WLWAKSYSKDARNM-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001269356911 903731196 /nfs/dbraw/zinc/73/11/96/903731196.db2.gz WLWAKSYSKDARNM-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001270143560 904395187 /nfs/dbraw/zinc/39/51/87/904395187.db2.gz LKYBORIJHNPFIW-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001270143560 904395204 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C#CCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001332183158 957470110 /nfs/dbraw/zinc/47/01/10/957470110.db2.gz AUQQIKHCCCZADI-HIFRSBDPSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001332183158 957470114 /nfs/dbraw/zinc/47/01/14/957470114.db2.gz AUQQIKHCCCZADI-HIFRSBDPSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001332183158 957470118 /nfs/dbraw/zinc/47/01/18/957470118.db2.gz AUQQIKHCCCZADI-HIFRSBDPSA-N 2 2 288.395 1.335 10 30 CDEELP C#CC[NH2+][C@H](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001317676151 957634379 /nfs/dbraw/zinc/63/43/79/957634379.db2.gz KWTNKIIWQSYAHL-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001494718550 972295934 /nfs/dbraw/zinc/29/59/34/972295934.db2.gz IXNNYNDZGWHMEA-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001494718550 972295936 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C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001319631621 958665196 /nfs/dbraw/zinc/66/51/96/958665196.db2.gz QHWOFAVOSYKZDK-CYBMUJFWSA-N 2 2 278.400 1.649 10 30 CDEELP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001319867367 958760966 /nfs/dbraw/zinc/76/09/66/958760966.db2.gz CSRBHTZKNCHBCN-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001319922479 958790928 /nfs/dbraw/zinc/79/09/28/958790928.db2.gz OBNDKXVQDZCXBJ-HNNXBMFYSA-N 2 2 284.363 1.540 10 30 CDEELP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320147248 958970801 /nfs/dbraw/zinc/97/08/01/958970801.db2.gz OUTSOJAARLOVEO-TZMCWYRMSA-N 2 2 296.374 1.684 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001322183374 960124698 /nfs/dbraw/zinc/12/46/98/960124698.db2.gz QKCFLDGJNXZQRA-CQSZACIVSA-N 2 2 290.411 1.386 10 30 CDEELP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001322183374 960124707 /nfs/dbraw/zinc/12/47/07/960124707.db2.gz QKCFLDGJNXZQRA-CQSZACIVSA-N 2 2 290.411 1.386 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001322372533 960197703 /nfs/dbraw/zinc/19/77/03/960197703.db2.gz SJCLKLXGYUTYJQ-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001323016350 960408129 /nfs/dbraw/zinc/40/81/29/960408129.db2.gz WDSAIVZDOVXIHD-MGPQQGTHSA-N 2 2 286.379 1.021 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001323016350 960408136 /nfs/dbraw/zinc/40/81/36/960408136.db2.gz WDSAIVZDOVXIHD-MGPQQGTHSA-N 2 2 286.379 1.021 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001420349395 962771717 /nfs/dbraw/zinc/77/17/17/962771717.db2.gz KEGGKHJBTCEOQR-BETUJISGSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001420349395 962771732 /nfs/dbraw/zinc/77/17/32/962771732.db2.gz KEGGKHJBTCEOQR-BETUJISGSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001420349395 962771742 /nfs/dbraw/zinc/77/17/42/962771742.db2.gz KEGGKHJBTCEOQR-BETUJISGSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001420349395 962771755 /nfs/dbraw/zinc/77/17/55/962771755.db2.gz KEGGKHJBTCEOQR-BETUJISGSA-N 2 2 287.835 1.660 10 30 CDEELP C=CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3occc32)CC1 ZINC001357397142 969581886 /nfs/dbraw/zinc/58/18/86/969581886.db2.gz OLDSOTMNEZQFEH-OAHLLOKOSA-N 2 2 289.379 1.233 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001372325363 972916725 /nfs/dbraw/zinc/91/67/25/972916725.db2.gz KEUHGIITWNRBPQ-AWEZNQCLSA-N 2 2 299.846 1.519 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001372325363 972916733 /nfs/dbraw/zinc/91/67/33/972916733.db2.gz KEUHGIITWNRBPQ-AWEZNQCLSA-N 2 2 299.846 1.519 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001498874102 974090609 /nfs/dbraw/zinc/09/06/09/974090609.db2.gz MDZIZINCKIFPBY-HNNXBMFYSA-N 2 2 288.395 1.171 10 30 CDEELP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001506828990 975230397 /nfs/dbraw/zinc/23/03/97/975230397.db2.gz KGWYAWVPSSDSAC-QKDCVEJESA-N 2 2 288.395 1.143 10 30 CDEELP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001506828990 975230403 /nfs/dbraw/zinc/23/04/03/975230403.db2.gz KGWYAWVPSSDSAC-QKDCVEJESA-N 2 2 288.395 1.143 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001506888988 975247877 /nfs/dbraw/zinc/24/78/77/975247877.db2.gz PHFKDCGOVKEXMR-IHRRRGAJSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001378195082 975282211 /nfs/dbraw/zinc/28/22/11/975282211.db2.gz IPZROHSXTMJYOJ-CYBMUJFWSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001378195082 975282216 /nfs/dbraw/zinc/28/22/16/975282216.db2.gz IPZROHSXTMJYOJ-CYBMUJFWSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001378195082 975282223 /nfs/dbraw/zinc/28/22/23/975282223.db2.gz IPZROHSXTMJYOJ-CYBMUJFWSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001378195082 975282228 /nfs/dbraw/zinc/28/22/28/975282228.db2.gz IPZROHSXTMJYOJ-CYBMUJFWSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001402411982 976273547 /nfs/dbraw/zinc/27/35/47/976273547.db2.gz FDHCIFSKLQAQKX-CMPLNLGQSA-N 2 2 296.802 1.389 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001674396356 1173937579 /nfs/dbraw/zinc/93/75/79/1173937579.db2.gz HUZPLQSEFULVKM-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001675036704 1174065573 /nfs/dbraw/zinc/06/55/73/1174065573.db2.gz RYFSIBXQWZBEBQ-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001675036704 1174065580 /nfs/dbraw/zinc/06/55/80/1174065580.db2.gz RYFSIBXQWZBEBQ-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001677023091 1174308663 /nfs/dbraw/zinc/30/86/63/1174308663.db2.gz AENGMHFYWHKWJH-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001570532576 1170182133 /nfs/dbraw/zinc/18/21/33/1170182133.db2.gz JKOJPWFXYXUOCQ-OAHLLOKOSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001570532576 1170182138 /nfs/dbraw/zinc/18/21/38/1170182138.db2.gz JKOJPWFXYXUOCQ-OAHLLOKOSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001570532576 1170182141 /nfs/dbraw/zinc/18/21/41/1170182141.db2.gz JKOJPWFXYXUOCQ-OAHLLOKOSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001570532576 1170182146 /nfs/dbraw/zinc/18/21/46/1170182146.db2.gz JKOJPWFXYXUOCQ-OAHLLOKOSA-N 2 2 288.395 1.288 10 30 CDEELP C=C(C)C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001570562453 1170189648 /nfs/dbraw/zinc/18/96/48/1170189648.db2.gz HIMOMZCDLPXFNV-UHFFFAOYSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001570562453 1170189655 /nfs/dbraw/zinc/18/96/55/1170189655.db2.gz HIMOMZCDLPXFNV-UHFFFAOYSA-N 2 2 276.384 1.403 10 30 CDEELP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001571369260 1170388117 /nfs/dbraw/zinc/38/81/17/1170388117.db2.gz WIHHNNGMSHYDQM-HIFRSBDPSA-N 2 2 288.395 1.294 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000651710593 398160789 /nfs/dbraw/zinc/16/07/89/398160789.db2.gz HONGBBJMMJTPDM-QLFBSQMISA-N 2 2 251.418 1.567 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000651710593 398160793 /nfs/dbraw/zinc/16/07/93/398160793.db2.gz HONGBBJMMJTPDM-QLFBSQMISA-N 2 2 251.418 1.567 10 30 CDEELP C[C@H]1CCC[N@H+](Cc2ccncc2C#N)[C@@H]1CC[NH3+] ZINC000593735021 342830987 /nfs/dbraw/zinc/83/09/87/342830987.db2.gz UPQCYDLMDDYNIR-SWLSCSKDSA-N 2 2 258.369 1.903 10 30 CDEELP C[C@H]1CCC[N@@H+](Cc2ccncc2C#N)[C@@H]1CC[NH3+] ZINC000593735021 342830988 /nfs/dbraw/zinc/83/09/88/342830988.db2.gz UPQCYDLMDDYNIR-SWLSCSKDSA-N 2 2 258.369 1.903 10 30 CDEELP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035438 342868331 /nfs/dbraw/zinc/86/83/31/342868331.db2.gz MXGJADDPRYFWPQ-MRXNPFEDSA-N 2 2 287.407 1.840 10 30 CDEELP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035438 342868333 /nfs/dbraw/zinc/86/83/33/342868333.db2.gz MXGJADDPRYFWPQ-MRXNPFEDSA-N 2 2 287.407 1.840 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000600724786 342245093 /nfs/dbraw/zinc/24/50/93/342245093.db2.gz ZZJLJQUOQUXPST-UONOGXRCSA-N 2 2 263.385 1.115 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000600724786 342245094 /nfs/dbraw/zinc/24/50/94/342245094.db2.gz ZZJLJQUOQUXPST-UONOGXRCSA-N 2 2 263.385 1.115 10 30 CDEELP C[C@H](CC#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597213290 343476515 /nfs/dbraw/zinc/47/65/15/343476515.db2.gz JNFSSYCCKJONBM-UKRRQHHQSA-N 2 2 292.427 1.163 10 30 CDEELP C[C@H](CC#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597213290 343476516 /nfs/dbraw/zinc/47/65/16/343476516.db2.gz JNFSSYCCKJONBM-UKRRQHHQSA-N 2 2 292.427 1.163 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620584 347675646 /nfs/dbraw/zinc/67/56/46/347675646.db2.gz UPZCHBQRRRESMY-ILXRZTDVSA-N 2 2 279.428 1.661 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620584 347675650 /nfs/dbraw/zinc/67/56/50/347675650.db2.gz UPZCHBQRRRESMY-ILXRZTDVSA-N 2 2 279.428 1.661 10 30 CDEELP N#C[C@]1(N2CC[NH2+]CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000036904577 358618956 /nfs/dbraw/zinc/61/89/56/358618956.db2.gz AMYNHJLDTMFQGG-QGZVFWFLSA-N 2 2 284.407 1.450 10 30 CDEELP N#C[C@]1(N2CC[NH2+]CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904577 358618961 /nfs/dbraw/zinc/61/89/61/358618961.db2.gz AMYNHJLDTMFQGG-QGZVFWFLSA-N 2 2 284.407 1.450 10 30 CDEELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)C[NH+](C)CCC#N ZINC000570626339 363824920 /nfs/dbraw/zinc/82/49/20/363824920.db2.gz HYQCJYMWUJKMLJ-OWCLPIDISA-N 2 2 296.459 1.045 10 30 CDEELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@@H](O)C[NH+](C)CCC#N ZINC000570626339 363824922 /nfs/dbraw/zinc/82/49/22/363824922.db2.gz HYQCJYMWUJKMLJ-OWCLPIDISA-N 2 2 296.459 1.045 10 30 CDEELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC[C@@H](O)C[N@H+](C)CCC#N ZINC000570626339 363824924 /nfs/dbraw/zinc/82/49/24/363824924.db2.gz HYQCJYMWUJKMLJ-OWCLPIDISA-N 2 2 296.459 1.045 10 30 CDEELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000570626339 363824926 /nfs/dbraw/zinc/82/49/26/363824926.db2.gz HYQCJYMWUJKMLJ-OWCLPIDISA-N 2 2 296.459 1.045 10 30 CDEELP CC#CCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000155466620 390918925 /nfs/dbraw/zinc/91/89/25/390918925.db2.gz SHTRELLYUMUYRB-KRWDZBQOSA-N 2 2 293.455 1.127 10 30 CDEELP CC#CCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000155466620 390918926 /nfs/dbraw/zinc/91/89/26/390918926.db2.gz SHTRELLYUMUYRB-KRWDZBQOSA-N 2 2 293.455 1.127 10 30 CDEELP [NH3+]CC#Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1F ZINC000043427230 175040491 /nfs/dbraw/zinc/04/04/91/175040491.db2.gz HLZPKCRWENFOSP-DLBZAZTESA-N 2 2 288.366 1.889 10 30 CDEELP [NH3+]CC#Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1F ZINC000043427230 175040492 /nfs/dbraw/zinc/04/04/92/175040492.db2.gz HLZPKCRWENFOSP-DLBZAZTESA-N 2 2 288.366 1.889 10 30 CDEELP C[C@H]1C[N@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688804 175095715 /nfs/dbraw/zinc/09/57/15/175095715.db2.gz RVXRFTCSVCHFFX-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP C[C@H]1C[N@@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688804 175095717 /nfs/dbraw/zinc/09/57/17/175095717.db2.gz RVXRFTCSVCHFFX-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)COC ZINC000045318853 175358814 /nfs/dbraw/zinc/35/88/14/175358814.db2.gz DJQMJNFQYOPVKB-LSDHHAIUSA-N 2 2 285.432 1.642 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)COC ZINC000045318853 175358815 /nfs/dbraw/zinc/35/88/15/175358815.db2.gz DJQMJNFQYOPVKB-LSDHHAIUSA-N 2 2 285.432 1.642 10 30 CDEELP C[N@H+](CCCC[C@](C)([NH3+])C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190775 176067952 /nfs/dbraw/zinc/06/79/52/176067952.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 3 2 252.406 1.281 10 30 CDEELP C[N@@H+](CCCC[C@](C)([NH3+])C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190775 176067953 /nfs/dbraw/zinc/06/79/53/176067953.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 3 2 252.406 1.281 10 30 CDEELP C[NH+](CCCC[C@](C)([NH3+])C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000071190775 176067954 /nfs/dbraw/zinc/06/79/54/176067954.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 3 2 252.406 1.281 10 30 CDEELP C[NH+](CCCC[C@](C)([NH3+])C#N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190775 176067955 /nfs/dbraw/zinc/06/79/55/176067955.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 3 2 252.406 1.281 10 30 CDEELP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001667400477 1173263149 /nfs/dbraw/zinc/26/31/49/1173263149.db2.gz JXGPWUDOTBOFPG-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001667392763 1173263402 /nfs/dbraw/zinc/26/34/02/1173263402.db2.gz DHTIIWGDMXFXCH-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001668289766 1173393376 /nfs/dbraw/zinc/39/33/76/1173393376.db2.gz WNFQUCHVVDXCJN-NSHDSACASA-N 2 2 264.373 1.321 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001669328905 1173536896 /nfs/dbraw/zinc/53/68/96/1173536896.db2.gz SSQXBLRKBHQGCE-CYBMUJFWSA-N 2 2 292.427 1.987 10 30 CDEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000262717357 330028590 /nfs/dbraw/zinc/02/85/90/330028590.db2.gz SVSIZXILKMOYPC-CQSZACIVSA-N 2 2 280.416 1.040 10 30 CDEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000262717357 330028592 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1.540 10 30 CDEELP CC(C)[NH2+][C@@](C#N)(CN(C)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000069083544 519735437 /nfs/dbraw/zinc/73/54/37/519735437.db2.gz OIFGCMBXCQQXTL-ZBFHGGJFSA-N 2 2 278.444 1.540 10 30 CDEELP CCC[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000068758059 521690743 /nfs/dbraw/zinc/69/07/43/521690743.db2.gz QUDHWWMQRAWRQW-HNNXBMFYSA-N 2 2 258.369 1.917 10 30 CDEELP CCC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000068758059 521690744 /nfs/dbraw/zinc/69/07/44/521690744.db2.gz QUDHWWMQRAWRQW-HNNXBMFYSA-N 2 2 258.369 1.917 10 30 CDEELP C[N@H+](Cc1ccc(C#CCCO)cc1)C1CC[NH+](C)CC1 ZINC000049616543 523203648 /nfs/dbraw/zinc/20/36/48/523203648.db2.gz JBWJUDVRFAXEIG-UHFFFAOYSA-N 2 2 286.419 1.947 10 30 CDEELP C[N@@H+](Cc1ccc(C#CCCO)cc1)C1CC[NH+](C)CC1 ZINC000049616543 523203658 /nfs/dbraw/zinc/20/36/58/523203658.db2.gz JBWJUDVRFAXEIG-UHFFFAOYSA-N 2 2 286.419 1.947 10 30 CDEELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000049164025 524593219 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/nfs/dbraw/zinc/78/26/97/954782697.db2.gz QMGVGXAABLZGLC-UHFFFAOYSA-N 2 2 292.427 1.893 10 30 CDEELP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001327588679 954951146 /nfs/dbraw/zinc/95/11/46/954951146.db2.gz QTGSICIXDBMUDU-VHDGCEQUSA-N 2 2 263.385 1.210 10 30 CDEELP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001327588679 954951150 /nfs/dbraw/zinc/95/11/50/954951150.db2.gz QTGSICIXDBMUDU-VHDGCEQUSA-N 2 2 263.385 1.210 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001491740765 955402522 /nfs/dbraw/zinc/40/25/22/955402522.db2.gz FYXIHKCTBUKBKK-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP N#CCCCC[C@@H]([NH3+])c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001329122342 955701112 /nfs/dbraw/zinc/70/11/12/955701112.db2.gz XYRNKEBPLZCYGB-CHWSQXEVSA-N 2 2 289.383 1.963 10 30 CDEELP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001330361028 956396211 /nfs/dbraw/zinc/39/62/11/956396211.db2.gz WISMWHIGLFOMJY-ZSOGYDGISA-N 2 2 288.395 1.131 10 30 CDEELP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001330361028 956396223 /nfs/dbraw/zinc/39/62/23/956396223.db2.gz WISMWHIGLFOMJY-ZSOGYDGISA-N 2 2 288.395 1.131 10 30 CDEELP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317480170 956672527 /nfs/dbraw/zinc/67/25/27/956672527.db2.gz QUQHVZQQYPTGTH-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317480170 956672536 /nfs/dbraw/zinc/67/25/36/956672536.db2.gz QUQHVZQQYPTGTH-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317480170 956672543 /nfs/dbraw/zinc/67/25/43/956672543.db2.gz QUQHVZQQYPTGTH-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317480170 956672550 /nfs/dbraw/zinc/67/25/50/956672550.db2.gz QUQHVZQQYPTGTH-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001423945760 957051681 /nfs/dbraw/zinc/05/16/81/957051681.db2.gz HRNFIXKTBPFLTC-YPMHNXCESA-N 2 2 296.802 1.320 10 30 CDEELP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494850684 972322959 /nfs/dbraw/zinc/32/29/59/972322959.db2.gz IYRMQXDJEPJUEU-ZIAGYGMSSA-N 2 2 274.368 1.000 10 30 CDEELP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494850684 972322964 /nfs/dbraw/zinc/32/29/64/972322964.db2.gz IYRMQXDJEPJUEU-ZIAGYGMSSA-N 2 2 274.368 1.000 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001494911264 972330055 /nfs/dbraw/zinc/33/00/55/972330055.db2.gz TWNXSZOPKLBNFR-CYBMUJFWSA-N 2 2 287.835 1.613 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001494911264 972330058 /nfs/dbraw/zinc/33/00/58/972330058.db2.gz TWNXSZOPKLBNFR-CYBMUJFWSA-N 2 2 287.835 1.613 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001495010966 972373320 /nfs/dbraw/zinc/37/33/20/972373320.db2.gz FGLXVWROCASXRC-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001319865451 958759696 /nfs/dbraw/zinc/75/96/96/958759696.db2.gz ULCNORGZDZVQRB-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001495377661 972485353 /nfs/dbraw/zinc/48/53/53/972485353.db2.gz FTSGSSNMDQKINK-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323275952 960606096 /nfs/dbraw/zinc/60/60/96/960606096.db2.gz BQKAFQCCAKTXJL-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323275952 960606110 /nfs/dbraw/zinc/60/61/10/960606110.db2.gz BQKAFQCCAKTXJL-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(Cl)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001419945542 962268567 /nfs/dbraw/zinc/26/85/67/962268567.db2.gz XBXNIVYZGARDBX-GFCCVEGCSA-N 2 2 284.791 1.366 10 30 CDEELP C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001462591830 969699026 /nfs/dbraw/zinc/69/90/26/969699026.db2.gz BZJHRBHOFMLGCH-PBHICJAKSA-N 2 2 271.408 1.392 10 30 CDEELP C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001462591830 969699031 /nfs/dbraw/zinc/69/90/31/969699031.db2.gz BZJHRBHOFMLGCH-PBHICJAKSA-N 2 2 271.408 1.392 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001497484350 973362957 /nfs/dbraw/zinc/36/29/57/973362957.db2.gz LCBBWXYKOYIRNR-UHFFFAOYSA-N 2 2 264.373 1.311 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001498790461 974063444 /nfs/dbraw/zinc/06/34/44/974063444.db2.gz NAEMMIWQPRTQES-AWEZNQCLSA-N 2 2 296.374 1.456 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001501143513 974541225 /nfs/dbraw/zinc/54/12/25/974541225.db2.gz PXCAGWULXNNGEE-CMPLNLGQSA-N 2 2 296.802 1.389 10 30 CDEELP C=C(C)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001502403105 974734276 /nfs/dbraw/zinc/73/42/76/974734276.db2.gz DTDSVRWOYNXMOK-UHFFFAOYSA-N 2 2 264.373 1.240 10 30 CDEELP C=C(C)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001502403105 974734280 /nfs/dbraw/zinc/73/42/80/974734280.db2.gz DTDSVRWOYNXMOK-UHFFFAOYSA-N 2 2 264.373 1.240 10 30 CDEELP C#CC[NH2+][C@@H](CCN(C)C(=O)CCn1cc[nH+]c1)C(C)C ZINC001506385924 975144492 /nfs/dbraw/zinc/14/44/92/975144492.db2.gz IGRUNOCZHAMVBK-HNNXBMFYSA-N 2 2 290.411 1.369 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001507384356 975442102 /nfs/dbraw/zinc/44/21/02/975442102.db2.gz FDOUQAIULXYGNX-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001507384356 975442111 /nfs/dbraw/zinc/44/21/11/975442111.db2.gz FDOUQAIULXYGNX-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001507419670 975462239 /nfs/dbraw/zinc/46/22/39/975462239.db2.gz WPEDSBCKWZBRPK-KGLIPLIRSA-N 2 2 288.395 1.158 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001403309979 976873609 /nfs/dbraw/zinc/87/36/09/976873609.db2.gz GRQOTTTUMJBNQZ-LBPRGKRZSA-N 2 2 296.802 1.381 10 30 CDEELP C#CC[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001676387982 1174216633 /nfs/dbraw/zinc/21/66/33/1174216633.db2.gz XIZOSBDVMFTLCH-GFCCVEGCSA-N 2 2 270.336 1.018 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001676460854 1174228385 /nfs/dbraw/zinc/22/83/85/1174228385.db2.gz BAVRRVXTJLXCGS-KBPBESRZSA-N 2 2 292.427 1.754 10 30 CDEELP C#CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC001677032711 1174309409 /nfs/dbraw/zinc/30/94/09/1174309409.db2.gz JPCBNUXZPPVJBA-AWEZNQCLSA-N 2 2 288.395 1.111 10 30 CDEELP C#CCC[N@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001677571073 1174374266 /nfs/dbraw/zinc/37/42/66/1174374266.db2.gz YFZCFNBNEKCUHG-UHFFFAOYSA-N 2 2 286.379 1.114 10 30 CDEELP C#CCC[N@@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001677571073 1174374271 /nfs/dbraw/zinc/37/42/71/1174374271.db2.gz YFZCFNBNEKCUHG-UHFFFAOYSA-N 2 2 286.379 1.114 10 30 CDEELP C#CCC[N@H+]1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001677571073 1174374276 /nfs/dbraw/zinc/37/42/76/1174374276.db2.gz YFZCFNBNEKCUHG-UHFFFAOYSA-N 2 2 286.379 1.114 10 30 CDEELP C#CCC[N@@H+]1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001677571073 1174374278 /nfs/dbraw/zinc/37/42/78/1174374278.db2.gz YFZCFNBNEKCUHG-UHFFFAOYSA-N 2 2 286.379 1.114 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(C#N)cs1)CCO2 ZINC000592525983 342703000 /nfs/dbraw/zinc/70/30/00/342703000.db2.gz DMLCSPMZLWFCRQ-UHFFFAOYSA-N 2 2 291.420 1.916 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(C#N)cs1)CCO2 ZINC000592525983 342703001 /nfs/dbraw/zinc/70/30/01/342703001.db2.gz DMLCSPMZLWFCRQ-UHFFFAOYSA-N 2 2 291.420 1.916 10 30 CDEELP CN(CC[NH+]1CCCC1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329744813 529907492 /nfs/dbraw/zinc/90/74/92/529907492.db2.gz QXFPMXBBLDFTAM-GFCCVEGCSA-N 2 2 291.399 1.209 10 30 CDEELP CN(CC[NH+]1CCCC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329744813 529907493 /nfs/dbraw/zinc/90/74/93/529907493.db2.gz QXFPMXBBLDFTAM-GFCCVEGCSA-N 2 2 291.399 1.209 10 30 CDEELP N#Cc1ccc2ccc(=O)n(CC[NH+]3CCC([NH3+])CC3)c2c1 ZINC000114433760 349281386 /nfs/dbraw/zinc/28/13/86/349281386.db2.gz GMZLZGFIQCJNQH-UHFFFAOYSA-N 2 2 296.374 1.296 10 30 CDEELP C=CCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001660197709 1172173617 /nfs/dbraw/zinc/17/36/17/1172173617.db2.gz JNWORVZUZWTWOP-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001660197709 1172173621 /nfs/dbraw/zinc/17/36/21/1172173621.db2.gz JNWORVZUZWTWOP-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cn3cccnc3n2)CC1 ZINC000298309766 200390894 /nfs/dbraw/zinc/39/08/94/200390894.db2.gz HWDJUFGKCODJHS-UHFFFAOYSA-N 2 2 285.395 1.859 10 30 CDEELP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981693 373893449 /nfs/dbraw/zinc/89/34/49/373893449.db2.gz OVQNIBWQKZTDSA-CQSZACIVSA-N 2 2 279.428 1.627 10 30 CDEELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc(C#N)cs2)CCCO1 ZINC000352862404 374363420 /nfs/dbraw/zinc/36/34/20/374363420.db2.gz OEKWYUAMWNHPIN-GFCCVEGCSA-N 2 2 294.424 1.605 10 30 CDEELP C=CC[NH+](CC=C)[C@@H](CNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000631051736 374701716 /nfs/dbraw/zinc/70/17/16/374701716.db2.gz DYLVJNVTZXTQTB-ZDUSSCGKSA-N 2 2 290.415 1.125 10 30 CDEELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000162720448 375498009 /nfs/dbraw/zinc/49/80/09/375498009.db2.gz ZYJNXVZORWPFIC-INIZCTEOSA-N 2 2 299.422 1.560 10 30 CDEELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000162720448 375498012 /nfs/dbraw/zinc/49/80/12/375498012.db2.gz ZYJNXVZORWPFIC-INIZCTEOSA-N 2 2 299.422 1.560 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621331 375882066 /nfs/dbraw/zinc/88/20/66/375882066.db2.gz CIMTUWHVEXZSED-SOUVJXGZSA-N 2 2 277.412 1.069 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621331 375882071 /nfs/dbraw/zinc/88/20/71/375882071.db2.gz CIMTUWHVEXZSED-SOUVJXGZSA-N 2 2 277.412 1.069 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621331 375882076 /nfs/dbraw/zinc/88/20/76/375882076.db2.gz CIMTUWHVEXZSED-SOUVJXGZSA-N 2 2 277.412 1.069 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193621331 375882079 /nfs/dbraw/zinc/88/20/79/375882079.db2.gz CIMTUWHVEXZSED-SOUVJXGZSA-N 2 2 277.412 1.069 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361969 376334139 /nfs/dbraw/zinc/33/41/39/376334139.db2.gz HKNDGBMBCCDWJI-INIZCTEOSA-N 2 2 277.412 1.263 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361969 376334147 /nfs/dbraw/zinc/33/41/47/376334147.db2.gz HKNDGBMBCCDWJI-INIZCTEOSA-N 2 2 277.412 1.263 10 30 CDEELP C[C@H](C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000346252419 391345265 /nfs/dbraw/zinc/34/52/65/391345265.db2.gz SNCIQTIYUXYMJP-CQSZACIVSA-N 2 2 292.427 1.213 10 30 CDEELP COc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1C#N ZINC000415080027 392850833 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CDEELP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001485835728 919931947 /nfs/dbraw/zinc/93/19/47/919931947.db2.gz XZCZCLJHUUXRHC-HNNXBMFYSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001486095949 920694355 /nfs/dbraw/zinc/69/43/55/920694355.db2.gz OBZZFQRGTXIVDY-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001568339407 1169253995 /nfs/dbraw/zinc/25/39/95/1169253995.db2.gz UAYZTSYDHMKLFO-CQSZACIVSA-N 2 2 276.384 1.027 10 30 CDEELP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001568390097 1169270064 /nfs/dbraw/zinc/27/00/64/1169270064.db2.gz CTGKWKNYHNDSCE-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+](CC)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001490349397 927103774 /nfs/dbraw/zinc/10/37/74/927103774.db2.gz CHGMBQZYSBEULZ-HNNXBMFYSA-N 2 2 290.411 1.686 10 30 CDEELP CC#CC[N@@H+](CC)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001490349397 927103782 /nfs/dbraw/zinc/10/37/82/927103782.db2.gz 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30 CDEELP C#CCC[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001279104980 945615448 /nfs/dbraw/zinc/61/54/48/945615448.db2.gz QSHYHVZCNHDMKB-CYBMUJFWSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001479261348 971277556 /nfs/dbraw/zinc/27/75/56/971277556.db2.gz SDIMLGXMOSUASL-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001479261348 971277562 /nfs/dbraw/zinc/27/75/62/971277562.db2.gz SDIMLGXMOSUASL-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001278413954 947784637 /nfs/dbraw/zinc/78/46/37/947784637.db2.gz NCXVHKMSULZUHH-OAHLLOKOSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001278413954 947784642 /nfs/dbraw/zinc/78/46/42/947784642.db2.gz NCXVHKMSULZUHH-OAHLLOKOSA-N 2 2 276.384 1.119 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001278968423 948433659 /nfs/dbraw/zinc/43/36/59/948433659.db2.gz VYRKYRGNIZWNQV-AWEZNQCLSA-N 2 2 290.411 1.486 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001278968423 948433665 /nfs/dbraw/zinc/43/36/65/948433665.db2.gz VYRKYRGNIZWNQV-AWEZNQCLSA-N 2 2 290.411 1.486 10 30 CDEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278503421 948995133 /nfs/dbraw/zinc/99/51/33/948995133.db2.gz DBTMMDIAKGEPMG-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278503421 948995144 /nfs/dbraw/zinc/99/51/44/948995144.db2.gz DBTMMDIAKGEPMG-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001569168373 1169699912 /nfs/dbraw/zinc/69/99/12/1169699912.db2.gz IEZHVXHLSNNVNP-ZFWWWQNUSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001328413084 955289423 /nfs/dbraw/zinc/28/94/23/955289423.db2.gz AFTAFOSAOXCQCF-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001328753841 955455654 /nfs/dbraw/zinc/45/56/54/955455654.db2.gz WZQGMVONKYQLFB-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001328753841 955455664 /nfs/dbraw/zinc/45/56/64/955455664.db2.gz WZQGMVONKYQLFB-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C#CC[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317247784 955987269 /nfs/dbraw/zinc/98/72/69/955987269.db2.gz OYGZPDCLLONQDQ-ZIAGYGMSSA-N 2 2 276.384 1.198 10 30 CDEELP Cn1c[nH+]cc1C1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001422476371 956053953 /nfs/dbraw/zinc/05/39/53/956053953.db2.gz DVSBLFSFCSAEKQ-AWEZNQCLSA-N 2 2 288.395 1.654 10 30 CDEELP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001331334741 956974093 /nfs/dbraw/zinc/97/40/93/956974093.db2.gz RQMJCVLDVCLQEX-HIFRSBDPSA-N 2 2 290.411 1.847 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001331615504 957170386 /nfs/dbraw/zinc/17/03/86/957170386.db2.gz KVURNRVXZPGDPI-NSHDSACASA-N 2 2 264.373 1.310 10 30 CDEELP C=C(C)C[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001317709068 957644105 /nfs/dbraw/zinc/64/41/05/957644105.db2.gz ICBFLDLXMHBYRT-UHFFFAOYSA-N 2 2 292.427 1.755 10 30 CDEELP C=C(C)C[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001317709068 957644108 /nfs/dbraw/zinc/64/41/08/957644108.db2.gz ICBFLDLXMHBYRT-UHFFFAOYSA-N 2 2 292.427 1.755 10 30 CDEELP C=CC[NH2+]CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001318916395 958300996 /nfs/dbraw/zinc/30/09/96/958300996.db2.gz BKONYQSQGJIENY-UHFFFAOYSA-N 2 2 276.384 1.357 10 30 CDEELP CC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001319207190 958433587 /nfs/dbraw/zinc/43/35/87/958433587.db2.gz HODKZPSQTZBWIG-ZDUSSCGKSA-N 2 2 290.411 1.292 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001320864801 959431159 /nfs/dbraw/zinc/43/11/59/959431159.db2.gz QTFSPTORVTWSQV-UHFFFAOYSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001321124442 959603768 /nfs/dbraw/zinc/60/37/68/959603768.db2.gz GIEWQJCSKGQGQT-NQHOJNORSA-N 2 2 288.395 1.284 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@](O)(CC)C(F)(F)F)CC1 ZINC001336785020 960588692 /nfs/dbraw/zinc/58/86/92/960588692.db2.gz WMMIDFDKAWZNSD-GFCCVEGCSA-N 2 2 278.318 1.377 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001324085321 961157656 /nfs/dbraw/zinc/15/76/56/961157656.db2.gz CDJVBUUMRNKCNI-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001467727726 970095783 /nfs/dbraw/zinc/09/57/83/970095783.db2.gz PPAKEEJQMKUCEU-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001467727726 970095793 /nfs/dbraw/zinc/09/57/93/970095793.db2.gz PPAKEEJQMKUCEU-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001500114243 974376489 /nfs/dbraw/zinc/37/64/89/974376489.db2.gz CTQDGAYHRLGELT-OAHLLOKOSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001506927383 975263839 /nfs/dbraw/zinc/26/38/39/975263839.db2.gz HVIHIPOYENRCKI-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001506927379 975264030 /nfs/dbraw/zinc/26/40/30/975264030.db2.gz HVIHIPOYENRCKI-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001507384350 975443690 /nfs/dbraw/zinc/44/36/90/975443690.db2.gz FDOUQAIULXYGNX-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001507384350 975443699 /nfs/dbraw/zinc/44/36/99/975443699.db2.gz FDOUQAIULXYGNX-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001675009837 1174058305 /nfs/dbraw/zinc/05/83/05/1174058305.db2.gz PWWVNEMEYOPCOT-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001675009837 1174058309 /nfs/dbraw/zinc/05/83/09/1174058309.db2.gz PWWVNEMEYOPCOT-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001675009837 1174058312 /nfs/dbraw/zinc/05/83/12/1174058312.db2.gz PWWVNEMEYOPCOT-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001675009837 1174058315 /nfs/dbraw/zinc/05/83/15/1174058315.db2.gz PWWVNEMEYOPCOT-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001676391873 1174219081 /nfs/dbraw/zinc/21/90/81/1174219081.db2.gz PRMYGJIFJSAQRN-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001570608744 1170209548 /nfs/dbraw/zinc/20/95/48/1170209548.db2.gz SDVPDMGVJBJAKM-STQMWFEESA-N 2 2 278.400 1.791 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001570608744 1170209553 /nfs/dbraw/zinc/20/95/53/1170209553.db2.gz SDVPDMGVJBJAKM-STQMWFEESA-N 2 2 278.400 1.791 10 30 CDEELP N#Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593730858 342830358 /nfs/dbraw/zinc/83/03/58/342830358.db2.gz JDYCKIUHKUDNFC-GJZGRUSLSA-N 2 2 256.353 1.514 10 30 CDEELP N#Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593730858 342830359 /nfs/dbraw/zinc/83/03/59/342830359.db2.gz JDYCKIUHKUDNFC-GJZGRUSLSA-N 2 2 256.353 1.514 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000600719405 342244598 /nfs/dbraw/zinc/24/45/98/342244598.db2.gz SMSAAKGIOJMPGF-AWEZNQCLSA-N 2 2 288.395 1.406 10 30 CDEELP CC(C)(C#N)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597081478 343451640 /nfs/dbraw/zinc/45/16/40/343451640.db2.gz ASMATEPATBOGKD-UHFFFAOYSA-N 2 2 255.325 1.907 10 30 CDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C ZINC000085289481 179006056 /nfs/dbraw/zinc/00/60/56/179006056.db2.gz YSZTXMKJPQTCLV-VHSXEESVSA-N 2 2 259.191 1.825 10 30 CDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C ZINC000085289481 179006058 /nfs/dbraw/zinc/00/60/58/179006058.db2.gz YSZTXMKJPQTCLV-VHSXEESVSA-N 2 2 259.191 1.825 10 30 CDEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641117 360203727 /nfs/dbraw/zinc/20/37/27/360203727.db2.gz OSSPTQAFQFLIAK-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641117 360203728 /nfs/dbraw/zinc/20/37/28/360203728.db2.gz OSSPTQAFQFLIAK-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641117 360203729 /nfs/dbraw/zinc/20/37/29/360203729.db2.gz OSSPTQAFQFLIAK-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641117 360203731 /nfs/dbraw/zinc/20/37/31/360203731.db2.gz OSSPTQAFQFLIAK-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c(C#N)c(C)[nH+]1 ZINC000302559052 373958982 /nfs/dbraw/zinc/95/89/82/373958982.db2.gz STABRFDHRUEPRO-GFCCVEGCSA-N 2 2 274.368 1.073 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001661832736 1172452373 /nfs/dbraw/zinc/45/23/73/1172452373.db2.gz OADRISPYLMJXEX-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328617108 375895420 /nfs/dbraw/zinc/89/54/20/375895420.db2.gz TWLQPYVEQYBKTC-QWHCGFSZSA-N 2 2 291.399 1.310 10 30 CDEELP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001662772597 1172592676 /nfs/dbraw/zinc/59/26/76/1172592676.db2.gz IRMMIHFGLZWZGU-LSDHHAIUSA-N 2 2 288.395 1.314 10 30 CDEELP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001662772596 1172592697 /nfs/dbraw/zinc/59/26/97/1172592697.db2.gz IRMMIHFGLZWZGU-HUUCEWRRSA-N 2 2 288.395 1.314 10 30 CDEELP CC#CC[N@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001663403773 1172688026 /nfs/dbraw/zinc/68/80/26/1172688026.db2.gz OAYQGKWGMAVULS-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP CC#CC[N@@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001663403773 1172688029 /nfs/dbraw/zinc/68/80/29/1172688029.db2.gz OAYQGKWGMAVULS-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C=CC[NH2+]CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001664248962 1172829572 /nfs/dbraw/zinc/82/95/72/1172829572.db2.gz UNVZRPSGUFBNAG-UHFFFAOYSA-N 2 2 286.379 1.419 10 30 CDEELP [NH3+]CC#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000043427218 175040512 /nfs/dbraw/zinc/04/05/12/175040512.db2.gz IKPVTURMWJLUNF-IRXDYDNUSA-N 2 2 288.366 1.889 10 30 CDEELP [NH3+]CC#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000043427218 175040514 /nfs/dbraw/zinc/04/05/14/175040514.db2.gz IKPVTURMWJLUNF-IRXDYDNUSA-N 2 2 288.366 1.889 10 30 CDEELP C[C@H]1COCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688912 175095566 /nfs/dbraw/zinc/09/55/66/175095566.db2.gz WCDMATUOZAQDBO-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP C[C@H]1COCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688912 175095568 /nfs/dbraw/zinc/09/55/68/175095568.db2.gz WCDMATUOZAQDBO-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374285 175168681 /nfs/dbraw/zinc/16/86/81/175168681.db2.gz IWZFFMBXHQYDCM-YIONKMFJSA-N 2 2 279.428 1.626 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374285 175168682 /nfs/dbraw/zinc/16/86/82/175168682.db2.gz IWZFFMBXHQYDCM-YIONKMFJSA-N 2 2 279.428 1.626 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316632 175357799 /nfs/dbraw/zinc/35/77/99/175357799.db2.gz VMEKUKJGCQGVSV-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000045316632 175357800 /nfs/dbraw/zinc/35/78/00/175357800.db2.gz VMEKUKJGCQGVSV-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP Cn1cc[nH+]c1CN1CC[NH+](CCCSCC#N)CC1 ZINC000336823301 262397383 /nfs/dbraw/zinc/39/73/83/262397383.db2.gz OXBSZRUJMWNKJQ-UHFFFAOYSA-N 2 2 293.440 1.185 10 30 CDEELP C[C@H]1CC[N@H+](CCOCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000293915391 263152110 /nfs/dbraw/zinc/15/21/10/263152110.db2.gz XHSQGRHVDDYNLK-UONOGXRCSA-N 2 2 262.357 1.696 10 30 CDEELP C[C@H]1CC[N@@H+](CCOCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000293915391 263152111 /nfs/dbraw/zinc/15/21/11/263152111.db2.gz XHSQGRHVDDYNLK-UONOGXRCSA-N 2 2 262.357 1.696 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689858 424431558 /nfs/dbraw/zinc/43/15/58/424431558.db2.gz SBPPMAUDIBABLQ-DZGCQCFKSA-N 2 2 268.401 1.109 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689858 424431562 /nfs/dbraw/zinc/43/15/62/424431562.db2.gz SBPPMAUDIBABLQ-DZGCQCFKSA-N 2 2 268.401 1.109 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671805693 1173713602 /nfs/dbraw/zinc/71/36/02/1173713602.db2.gz VUSOAOILPYIYCV-OAHLLOKOSA-N 2 2 276.384 1.275 10 30 CDEELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOCCC#N ZINC000339017770 335141148 /nfs/dbraw/zinc/14/11/48/335141148.db2.gz VXUUHAGYYUTQJJ-KGLIPLIRSA-N 2 2 251.374 1.475 10 30 CDEELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOCCC#N ZINC000339017770 335141149 /nfs/dbraw/zinc/14/11/49/335141149.db2.gz VXUUHAGYYUTQJJ-KGLIPLIRSA-N 2 2 251.374 1.475 10 30 CDEELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCC#N ZINC000339017770 335141150 /nfs/dbraw/zinc/14/11/50/335141150.db2.gz VXUUHAGYYUTQJJ-KGLIPLIRSA-N 2 2 251.374 1.475 10 30 CDEELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOCCC#N ZINC000339017770 335141152 /nfs/dbraw/zinc/14/11/52/335141152.db2.gz VXUUHAGYYUTQJJ-KGLIPLIRSA-N 2 2 251.374 1.475 10 30 CDEELP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267595459 1159498216 /nfs/dbraw/zinc/49/82/16/1159498216.db2.gz FAOVDVZBNPHAEU-CQSZACIVSA-N 2 2 276.384 1.240 10 30 CDEELP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267595459 1159498219 /nfs/dbraw/zinc/49/82/19/1159498219.db2.gz FAOVDVZBNPHAEU-CQSZACIVSA-N 2 2 276.384 1.240 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508801 1180261724 /nfs/dbraw/zinc/26/17/24/1180261724.db2.gz QDZHWQNXNPVUAQ-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508801 1180261729 /nfs/dbraw/zinc/26/17/29/1180261729.db2.gz QDZHWQNXNPVUAQ-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP CC[NH2+][C@](C#N)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000069083862 520223583 /nfs/dbraw/zinc/22/35/83/520223583.db2.gz QNUCAPIQTWWDQI-CQSZACIVSA-N 2 2 252.406 1.152 10 30 CDEELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccnc1C#N ZINC000062803151 522337265 /nfs/dbraw/zinc/33/72/65/522337265.db2.gz SLBQHUHZOPSWSS-LBPRGKRZSA-N 2 2 255.325 1.478 10 30 CDEELP C[N@H+](Cc1ccc(F)c(C#CCO)c1)C1CC[NH+](C)CC1 ZINC000049616553 523238975 /nfs/dbraw/zinc/23/89/75/523238975.db2.gz MFQZXWRRKFNEND-UHFFFAOYSA-N 2 2 290.382 1.696 10 30 CDEELP C[N@@H+](Cc1ccc(F)c(C#CCO)c1)C1CC[NH+](C)CC1 ZINC000049616553 523238983 /nfs/dbraw/zinc/23/89/83/523238983.db2.gz MFQZXWRRKFNEND-UHFFFAOYSA-N 2 2 290.382 1.696 10 30 CDEELP N#C[C@@H]([NH3+])CCN1CCC([NH+]2CCCCC2)CC1 ZINC000062435580 526494746 /nfs/dbraw/zinc/49/47/46/526494746.db2.gz LHALGDOVWFYGNC-ZDUSSCGKSA-N 2 2 250.390 1.178 10 30 CDEELP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000092938458 536138038 /nfs/dbraw/zinc/13/80/38/536138038.db2.gz NCHNVMLXFNKAJO-AWEZNQCLSA-N 2 2 283.379 1.732 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751396205 577038484 /nfs/dbraw/zinc/03/84/84/577038484.db2.gz QUEQNLSFPQJTNW-HNNXBMFYSA-N 2 2 286.379 1.213 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751396205 577038485 /nfs/dbraw/zinc/03/84/85/577038485.db2.gz QUEQNLSFPQJTNW-HNNXBMFYSA-N 2 2 286.379 1.213 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751396205 577038486 /nfs/dbraw/zinc/03/84/86/577038486.db2.gz QUEQNLSFPQJTNW-HNNXBMFYSA-N 2 2 286.379 1.213 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751396205 577038487 /nfs/dbraw/zinc/03/84/87/577038487.db2.gz QUEQNLSFPQJTNW-HNNXBMFYSA-N 2 2 286.379 1.213 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670712536 1158713918 /nfs/dbraw/zinc/71/39/18/1158713918.db2.gz AUTWBTCPDDXIHT-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670712536 1158713924 /nfs/dbraw/zinc/71/39/24/1158713924.db2.gz AUTWBTCPDDXIHT-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053560 1158843839 /nfs/dbraw/zinc/84/38/39/1158843839.db2.gz RZPHKZRLNVKIFQ-CQSZACIVSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053560 1158843844 /nfs/dbraw/zinc/84/38/44/1158843844.db2.gz RZPHKZRLNVKIFQ-CQSZACIVSA-N 2 2 277.412 1.027 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074715 1158892542 /nfs/dbraw/zinc/89/25/42/1158892542.db2.gz GOJQDMZZAJKPAW-GJZGRUSLSA-N 2 2 290.411 1.771 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074715 1158892548 /nfs/dbraw/zinc/89/25/48/1158892548.db2.gz GOJQDMZZAJKPAW-GJZGRUSLSA-N 2 2 290.411 1.771 10 30 CDEELP C=CC[NH2+]C[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482101683 1159981279 /nfs/dbraw/zinc/98/12/79/1159981279.db2.gz OZRWGDUSEUSJOZ-LBPRGKRZSA-N 2 2 286.379 1.784 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001566715219 1168397822 /nfs/dbraw/zinc/39/78/22/1168397822.db2.gz UPFQZZJQBNFMIT-INIZCTEOSA-N 2 2 296.374 1.684 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568171568 1169160568 /nfs/dbraw/zinc/16/05/68/1169160568.db2.gz DAJZXIAFEXYEKL-CYBMUJFWSA-N 2 2 298.390 1.622 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001660224764 1172180240 /nfs/dbraw/zinc/18/02/40/1172180240.db2.gz ITQJXJIYQXMYJQ-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001660224764 1172180246 /nfs/dbraw/zinc/18/02/46/1172180246.db2.gz ITQJXJIYQXMYJQ-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001666951453 1173212044 /nfs/dbraw/zinc/21/20/44/1173212044.db2.gz AEVHTAPPWJPBNQ-CYBMUJFWSA-N 2 2 284.363 1.408 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001689321229 1175144485 /nfs/dbraw/zinc/14/44/85/1175144485.db2.gz ZHLMGNSLOJPXFF-ZNMIVQPWSA-N 2 2 288.395 1.437 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001689321229 1175144490 /nfs/dbraw/zinc/14/44/90/1175144490.db2.gz ZHLMGNSLOJPXFF-ZNMIVQPWSA-N 2 2 288.395 1.437 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001690160878 1175391448 /nfs/dbraw/zinc/39/14/48/1175391448.db2.gz QGSRRUSWMOYQCA-AWEZNQCLSA-N 2 2 296.374 1.456 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504863 1175483480 /nfs/dbraw/zinc/48/34/80/1175483480.db2.gz JURZMGOTTVQSKY-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504863 1175483482 /nfs/dbraw/zinc/48/34/82/1175483482.db2.gz JURZMGOTTVQSKY-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[NH+]1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001692218124 1175704711 /nfs/dbraw/zinc/70/47/11/1175704711.db2.gz WTHIMWTUHWQBJR-UHFFFAOYSA-N 2 2 291.439 1.322 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001692260832 1175719255 /nfs/dbraw/zinc/71/92/55/1175719255.db2.gz SVFQRZKWUIHCEJ-AWEZNQCLSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001692260832 1175719260 /nfs/dbraw/zinc/71/92/60/1175719260.db2.gz SVFQRZKWUIHCEJ-AWEZNQCLSA-N 2 2 288.395 1.288 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001699506402 1176454818 /nfs/dbraw/zinc/45/48/18/1176454818.db2.gz FUFVCRRCYYIKJV-DZGCQCFKSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001699506402 1176454825 /nfs/dbraw/zinc/45/48/25/1176454825.db2.gz FUFVCRRCYYIKJV-DZGCQCFKSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001699762665 1176612227 /nfs/dbraw/zinc/61/22/27/1176612227.db2.gz RGLHCKNOZGXTHJ-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001699970613 1176701846 /nfs/dbraw/zinc/70/18/46/1176701846.db2.gz MLBZMHYDOMLWND-QWHCGFSZSA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001707136788 1177955632 /nfs/dbraw/zinc/95/56/32/1177955632.db2.gz AJOVKOKZRMMJFD-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001713486941 1178601846 /nfs/dbraw/zinc/60/18/46/1178601846.db2.gz BHCVCWAQNYJJKK-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001713486941 1178601851 /nfs/dbraw/zinc/60/18/51/1178601851.db2.gz BHCVCWAQNYJJKK-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP CC#CC[N@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001713688987 1178710807 /nfs/dbraw/zinc/71/08/07/1178710807.db2.gz OVROWSHWGUVAJF-UHFFFAOYSA-N 2 2 290.411 1.582 10 30 CDEELP CC#CC[N@@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001713688987 1178710811 /nfs/dbraw/zinc/71/08/11/1178710811.db2.gz OVROWSHWGUVAJF-UHFFFAOYSA-N 2 2 290.411 1.582 10 30 CDEELP CC#CC[N@H+](CCCNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001713688987 1178710816 /nfs/dbraw/zinc/71/08/16/1178710816.db2.gz OVROWSHWGUVAJF-UHFFFAOYSA-N 2 2 290.411 1.582 10 30 CDEELP CC#CC[N@@H+](CCCNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001713688987 1178710821 /nfs/dbraw/zinc/71/08/21/1178710821.db2.gz OVROWSHWGUVAJF-UHFFFAOYSA-N 2 2 290.411 1.582 10 30 CDEELP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001713914859 1178841815 /nfs/dbraw/zinc/84/18/15/1178841815.db2.gz BNEKSFAWMGOXJZ-GASCZTMLSA-N 2 2 277.412 1.025 10 30 CDEELP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001713914859 1178841828 /nfs/dbraw/zinc/84/18/28/1178841828.db2.gz BNEKSFAWMGOXJZ-GASCZTMLSA-N 2 2 277.412 1.025 10 30 CDEELP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001713914859 1178841840 /nfs/dbraw/zinc/84/18/40/1178841840.db2.gz BNEKSFAWMGOXJZ-GASCZTMLSA-N 2 2 277.412 1.025 10 30 CDEELP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001713914859 1178841849 /nfs/dbraw/zinc/84/18/49/1178841849.db2.gz BNEKSFAWMGOXJZ-GASCZTMLSA-N 2 2 277.412 1.025 10 30 CDEELP C#CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001714404562 1179125481 /nfs/dbraw/zinc/12/54/81/1179125481.db2.gz KHNQRLUIJZBHKR-ZDUSSCGKSA-N 2 2 290.411 1.292 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715466783 1179674661 /nfs/dbraw/zinc/67/46/61/1179674661.db2.gz OBBMNDWYNVSDEN-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001715476629 1179676759 /nfs/dbraw/zinc/67/67/59/1179676759.db2.gz IYXMCVURDWEQJY-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[NH2+]C/C=C\CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715830304 1179855196 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CDEELP C=C(C)CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001716688539 1180371124 /nfs/dbraw/zinc/37/11/24/1180371124.db2.gz IOMVCZFUHDUSTA-UHFFFAOYSA-N 2 2 276.384 1.478 10 30 CDEELP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001724604766 1181702255 /nfs/dbraw/zinc/70/22/55/1181702255.db2.gz OHTOHKZBVITZMK-KGLIPLIRSA-N 2 2 276.384 1.143 10 30 CDEELP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001725176883 1181908068 /nfs/dbraw/zinc/90/80/68/1181908068.db2.gz OJRVATNZNYTOKB-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001725176883 1181908073 /nfs/dbraw/zinc/90/80/73/1181908073.db2.gz OJRVATNZNYTOKB-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001725650800 1182087512 /nfs/dbraw/zinc/08/75/12/1182087512.db2.gz DTXGJNPDSVRCLY-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP C#CCC[N@@H+](C)CCN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001725733529 1182115691 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290.411 1.603 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001731855928 1182630087 /nfs/dbraw/zinc/63/00/87/1182630087.db2.gz DOVZCLLTNCNIEZ-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001731855928 1182630089 /nfs/dbraw/zinc/63/00/89/1182630089.db2.gz DOVZCLLTNCNIEZ-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001732208992 1182858873 /nfs/dbraw/zinc/85/88/73/1182858873.db2.gz UUCOOYHDJKQUOW-ZDUSSCGKSA-N 2 2 276.384 1.044 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001732217598 1182865807 /nfs/dbraw/zinc/86/58/07/1182865807.db2.gz KKNWAHPVZYCZKQ-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001732610637 1183047269 /nfs/dbraw/zinc/04/72/69/1183047269.db2.gz GTKOOLLJMLJGEM-OCCSQVGLSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001732610637 1183047276 /nfs/dbraw/zinc/04/72/76/1183047276.db2.gz GTKOOLLJMLJGEM-OCCSQVGLSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001732868445 1183164712 /nfs/dbraw/zinc/16/47/12/1183164712.db2.gz ITAJBLJICJILKW-VQTKUKTRSA-N 2 2 288.395 1.284 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001732961989 1183207273 /nfs/dbraw/zinc/20/72/73/1183207273.db2.gz VEPJBYRUVFGFQT-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001733326746 1183398470 /nfs/dbraw/zinc/39/84/70/1183398470.db2.gz HYCNCSQPDKHQRC-ZIAGYGMSSA-N 2 2 290.411 1.888 10 30 CDEELP N#Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cs1 ZINC000922286302 739427200 /nfs/dbraw/zinc/42/72/00/739427200.db2.gz JVBFQPOEHDFTPL-ZDUSSCGKSA-N 2 2 292.408 1.049 10 30 CDEELP N#Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cs1 ZINC000922286302 739427222 /nfs/dbraw/zinc/42/72/22/739427222.db2.gz JVBFQPOEHDFTPL-ZDUSSCGKSA-N 2 2 292.408 1.049 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000876742980 740327823 /nfs/dbraw/zinc/32/78/23/740327823.db2.gz WLGOQNBCADLENI-LBPRGKRZSA-N 2 2 282.775 1.517 10 30 CDEELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000931718526 741318423 /nfs/dbraw/zinc/31/84/23/741318423.db2.gz AJDQJCVWIKJSKE-ZNMIVQPWSA-N 2 2 277.412 1.600 10 30 CDEELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000931718526 741318429 /nfs/dbraw/zinc/31/84/29/741318429.db2.gz AJDQJCVWIKJSKE-ZNMIVQPWSA-N 2 2 277.412 1.600 10 30 CDEELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000931718526 741318434 /nfs/dbraw/zinc/31/84/34/741318434.db2.gz AJDQJCVWIKJSKE-ZNMIVQPWSA-N 2 2 277.412 1.600 10 30 CDEELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000931718526 741318442 /nfs/dbraw/zinc/31/84/42/741318442.db2.gz AJDQJCVWIKJSKE-ZNMIVQPWSA-N 2 2 277.412 1.600 10 30 CDEELP CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282413922 894272785 /nfs/dbraw/zinc/27/27/85/894272785.db2.gz VFIDJNXFZSEHLI-LBPRGKRZSA-N 2 2 284.363 1.636 10 30 CDEELP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282413922 894272803 /nfs/dbraw/zinc/27/28/03/894272803.db2.gz VFIDJNXFZSEHLI-LBPRGKRZSA-N 2 2 284.363 1.636 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001266947786 896412884 /nfs/dbraw/zinc/41/28/84/896412884.db2.gz JKYGUFXKEZSJND-CYBMUJFWSA-N 2 2 292.427 1.987 10 30 CDEELP C#CCC[NH2+]C[C@](C)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001267853816 899877241 /nfs/dbraw/zinc/87/72/41/899877241.db2.gz SDEZTXBWGYUIBD-INIZCTEOSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+]C[C@](C)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001267853816 899877246 /nfs/dbraw/zinc/87/72/46/899877246.db2.gz SDEZTXBWGYUIBD-INIZCTEOSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2)C1 ZINC001567692637 1168919314 /nfs/dbraw/zinc/91/93/14/1168919314.db2.gz DUGTUWRURSDIFP-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2)C1 ZINC001567692637 1168919325 /nfs/dbraw/zinc/91/93/25/1168919325.db2.gz DUGTUWRURSDIFP-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001268040753 900734725 /nfs/dbraw/zinc/73/47/25/900734725.db2.gz WMOYIYXWQCPIRA-UHFFFAOYSA-N 2 2 276.384 1.547 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268088849 901178541 /nfs/dbraw/zinc/17/85/41/901178541.db2.gz FOSDCIADLVIRPY-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268088849 901178551 /nfs/dbraw/zinc/17/85/51/901178551.db2.gz FOSDCIADLVIRPY-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001268214590 901584361 /nfs/dbraw/zinc/58/43/61/901584361.db2.gz YPDZPEGXJYHTFC-MGPQQGTHSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001268214590 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CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494827860 972318391 /nfs/dbraw/zinc/31/83/91/972318391.db2.gz APZDSPCCPDIVGH-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494827860 972318394 /nfs/dbraw/zinc/31/83/94/972318394.db2.gz APZDSPCCPDIVGH-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494827860 972318399 /nfs/dbraw/zinc/31/83/99/972318399.db2.gz APZDSPCCPDIVGH-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494827860 972318402 /nfs/dbraw/zinc/31/84/02/972318402.db2.gz APZDSPCCPDIVGH-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001319637438 958668828 /nfs/dbraw/zinc/66/88/28/958668828.db2.gz WRBNSMGFZVCFNA-CQSZACIVSA-N 2 2 290.411 1.106 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001320162265 958982978 /nfs/dbraw/zinc/98/29/78/958982978.db2.gz CTJCUCAFYQDERW-YPMHNXCESA-N 2 2 262.357 1.013 10 30 CDEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001495476217 972515172 /nfs/dbraw/zinc/51/51/72/972515172.db2.gz MANWQCOAHCBCNI-HDJSIYSDSA-N 2 2 290.411 1.854 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420569335 963069557 /nfs/dbraw/zinc/06/95/57/963069557.db2.gz MXGYTVHEPSBYOK-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420569335 963069567 /nfs/dbraw/zinc/06/95/67/963069567.db2.gz MXGYTVHEPSBYOK-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420569335 963069581 /nfs/dbraw/zinc/06/95/81/963069581.db2.gz MXGYTVHEPSBYOK-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420569335 963069597 /nfs/dbraw/zinc/06/95/97/963069597.db2.gz MXGYTVHEPSBYOK-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C=CCC(CC=C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341057474 963257090 /nfs/dbraw/zinc/25/70/90/963257090.db2.gz VJUIJMVFDMXJLH-UHFFFAOYSA-N 2 2 265.401 1.294 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001439689693 963839374 /nfs/dbraw/zinc/83/93/74/963839374.db2.gz XKGSAPQQTPZFPZ-KGLIPLIRSA-N 2 2 299.846 1.756 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001439689693 963839379 /nfs/dbraw/zinc/83/93/79/963839379.db2.gz XKGSAPQQTPZFPZ-KGLIPLIRSA-N 2 2 299.846 1.756 10 30 CDEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569651950 1169954139 /nfs/dbraw/zinc/95/41/39/1169954139.db2.gz XXZPZQKXDDQQBJ-MRXNPFEDSA-N 2 2 290.411 1.807 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569651950 1169954142 /nfs/dbraw/zinc/95/41/42/1169954142.db2.gz XXZPZQKXDDQQBJ-MRXNPFEDSA-N 2 2 290.411 1.807 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001501628580 974613039 /nfs/dbraw/zinc/61/30/39/974613039.db2.gz FSCUPVBZGQRYDL-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001501628580 974613042 /nfs/dbraw/zinc/61/30/42/974613042.db2.gz FSCUPVBZGQRYDL-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001399153811 976362198 /nfs/dbraw/zinc/36/21/98/976362198.db2.gz FNLWKPSWOUXQHX-ZDUSSCGKSA-N 2 2 297.362 1.049 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001391042351 976659711 /nfs/dbraw/zinc/65/97/11/976659711.db2.gz FQHZNGZTQGIMMX-CYBMUJFWSA-N 2 2 296.802 1.525 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001391042351 976659716 /nfs/dbraw/zinc/65/97/16/976659716.db2.gz FQHZNGZTQGIMMX-CYBMUJFWSA-N 2 2 296.802 1.525 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001571310929 1170363159 /nfs/dbraw/zinc/36/31/59/1170363159.db2.gz DWAYTJYHDSENDU-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864954 343175825 /nfs/dbraw/zinc/17/58/25/343175825.db2.gz XVVUTFALCZKBIW-TZMCWYRMSA-N 2 2 251.374 1.210 10 30 CDEELP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864954 343175828 /nfs/dbraw/zinc/17/58/28/343175828.db2.gz XVVUTFALCZKBIW-TZMCWYRMSA-N 2 2 251.374 1.210 10 30 CDEELP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000619716226 349866593 /nfs/dbraw/zinc/86/65/93/349866593.db2.gz BLZKTBLFAWAEOW-AWEZNQCLSA-N 2 2 268.401 1.768 10 30 CDEELP N#Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334443550 357580015 /nfs/dbraw/zinc/58/00/15/357580015.db2.gz FBKNAXMXNPKCCV-CYBMUJFWSA-N 2 2 252.321 1.928 10 30 CDEELP N#Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334443550 357580020 /nfs/dbraw/zinc/58/00/20/357580020.db2.gz FBKNAXMXNPKCCV-CYBMUJFWSA-N 2 2 252.321 1.928 10 30 CDEELP C=CC[NH+]1CCC(Nc2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000276494452 193354422 /nfs/dbraw/zinc/35/44/22/193354422.db2.gz QMPLFEJZKYAJBP-UHFFFAOYSA-N 2 2 287.371 1.008 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(CCOC)C2)CC1 ZINC000344067743 379130554 /nfs/dbraw/zinc/13/05/54/379130554.db2.gz JETBEAFMTLAKHZ-MRXNPFEDSA-N 2 2 281.444 1.337 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307863 175356787 /nfs/dbraw/zinc/35/67/87/175356787.db2.gz WHLDGWIEAYQOPJ-CQSZACIVSA-N 3 2 252.406 1.294 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307863 175356788 /nfs/dbraw/zinc/35/67/88/175356788.db2.gz WHLDGWIEAYQOPJ-CQSZACIVSA-N 3 2 252.406 1.294 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001671355090 1173678061 /nfs/dbraw/zinc/67/80/61/1173678061.db2.gz AVYZQZHVBOOIQM-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001671355090 1173678065 /nfs/dbraw/zinc/67/80/65/1173678065.db2.gz AVYZQZHVBOOIQM-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH+]1CCC(N[C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422855034 330157654 /nfs/dbraw/zinc/15/76/54/330157654.db2.gz BWEKPEVBWNBLKD-GFCCVEGCSA-N 2 2 260.385 1.795 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422855034 330157656 /nfs/dbraw/zinc/15/76/56/330157656.db2.gz BWEKPEVBWNBLKD-GFCCVEGCSA-N 3 2 260.385 1.795 10 30 CDEELP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001691446742 1159306025 /nfs/dbraw/zinc/30/60/25/1159306025.db2.gz CVPPWFXFQVLLSU-OKILXGFUSA-N 2 2 288.395 1.044 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001483669188 1161048184 /nfs/dbraw/zinc/04/81/84/1161048184.db2.gz RBWDSGRXYUWWSJ-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001483669188 1161048193 /nfs/dbraw/zinc/04/81/93/1161048193.db2.gz RBWDSGRXYUWWSJ-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccnc1C#N ZINC000062803152 522646927 /nfs/dbraw/zinc/64/69/27/522646927.db2.gz SLBQHUHZOPSWSS-GFCCVEGCSA-N 2 2 255.325 1.478 10 30 CDEELP COCC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760838 523940194 /nfs/dbraw/zinc/94/01/94/523940194.db2.gz IQKMHSALHTVFMV-HNNXBMFYSA-N 2 2 288.395 1.401 10 30 CDEELP COCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760838 523940197 /nfs/dbraw/zinc/94/01/97/523940197.db2.gz IQKMHSALHTVFMV-HNNXBMFYSA-N 2 2 288.395 1.401 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001689912411 1175303342 /nfs/dbraw/zinc/30/33/42/1175303342.db2.gz VWHWKUKJZLZTPB-ZFWWWQNUSA-N 2 2 288.395 1.253 10 30 CDEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691352287 1159032888 /nfs/dbraw/zinc/03/28/88/1159032888.db2.gz RJDZXFAFVCIOSV-MGPQQGTHSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691352287 1159032894 /nfs/dbraw/zinc/03/28/94/1159032894.db2.gz RJDZXFAFVCIOSV-MGPQQGTHSA-N 2 2 290.411 1.916 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266895835 1158967617 /nfs/dbraw/zinc/96/76/17/1158967617.db2.gz UDFCPDHDWMQBQR-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266895835 1158967623 /nfs/dbraw/zinc/96/76/23/1158967623.db2.gz UDFCPDHDWMQBQR-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001481683997 1159874952 /nfs/dbraw/zinc/87/49/52/1159874952.db2.gz DHYAPQUDOCURNZ-ILXRZTDVSA-N 2 2 288.395 1.523 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001481683997 1159874965 /nfs/dbraw/zinc/87/49/65/1159874965.db2.gz DHYAPQUDOCURNZ-ILXRZTDVSA-N 2 2 288.395 1.523 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001567141459 1168593022 /nfs/dbraw/zinc/59/30/22/1168593022.db2.gz BQCRYIOHXJAALH-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567335553 1168689769 /nfs/dbraw/zinc/68/97/69/1168689769.db2.gz APXZWBPBHNBHBK-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567335553 1168689776 /nfs/dbraw/zinc/68/97/76/1168689776.db2.gz APXZWBPBHNBHBK-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C=CC[N@@H+](CCC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001567432851 1168756966 /nfs/dbraw/zinc/75/69/66/1168756966.db2.gz NBJCUGILVBNLGU-UHFFFAOYSA-N 2 2 264.373 1.275 10 30 CDEELP C=CC[N@H+](CCC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001567432851 1168756955 /nfs/dbraw/zinc/75/69/55/1168756955.db2.gz NBJCUGILVBNLGU-UHFFFAOYSA-N 2 2 264.373 1.275 10 30 CDEELP C#CCNC(=O)C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001648027718 1169090385 /nfs/dbraw/zinc/09/03/85/1169090385.db2.gz WNZRAAGNGRCHIF-INIZCTEOSA-N 2 2 291.439 1.322 10 30 CDEELP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001648027718 1169090390 /nfs/dbraw/zinc/09/03/90/1169090390.db2.gz WNZRAAGNGRCHIF-INIZCTEOSA-N 2 2 291.439 1.322 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001569671076 1169962994 /nfs/dbraw/zinc/96/29/94/1169962994.db2.gz FOMQPJJWGKUMAQ-HNNXBMFYSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001569671076 1169962997 /nfs/dbraw/zinc/96/29/97/1169962997.db2.gz FOMQPJJWGKUMAQ-HNNXBMFYSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001587340988 1172981820 /nfs/dbraw/zinc/98/18/20/1172981820.db2.gz GYACNWDSLUPHIG-UHFFFAOYSA-N 2 2 286.379 1.419 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001674703555 1173991424 /nfs/dbraw/zinc/99/14/24/1173991424.db2.gz YWEXHIJBLVQOLY-QWHCGFSZSA-N 2 2 278.400 1.412 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001690482592 1175480167 /nfs/dbraw/zinc/48/01/67/1175480167.db2.gz RKAUVUIFXLJBHA-LBPRGKRZSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498701 1175483523 /nfs/dbraw/zinc/48/35/23/1175483523.db2.gz KYEPVGFTNLBDII-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498701 1175483528 /nfs/dbraw/zinc/48/35/28/1175483528.db2.gz KYEPVGFTNLBDII-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498701 1175483533 /nfs/dbraw/zinc/48/35/33/1175483533.db2.gz KYEPVGFTNLBDII-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498701 1175483537 /nfs/dbraw/zinc/48/35/37/1175483537.db2.gz KYEPVGFTNLBDII-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001692089860 1175675442 /nfs/dbraw/zinc/67/54/42/1175675442.db2.gz CBWRRKMJTJOXMI-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001698945552 1175991930 /nfs/dbraw/zinc/99/19/30/1175991930.db2.gz LMRUJPUQNPBEOE-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001698945552 1175991935 /nfs/dbraw/zinc/99/19/35/1175991935.db2.gz LMRUJPUQNPBEOE-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698990833 1176018661 /nfs/dbraw/zinc/01/86/61/1176018661.db2.gz GPCNUYGZFSZHBA-UHFFFAOYSA-N 2 2 272.352 1.753 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698990833 1176018670 /nfs/dbraw/zinc/01/86/70/1176018670.db2.gz GPCNUYGZFSZHBA-UHFFFAOYSA-N 2 2 272.352 1.753 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001699484042 1176441469 /nfs/dbraw/zinc/44/14/69/1176441469.db2.gz IXIUNNOTSXVUOC-KGLIPLIRSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001699977187 1176703880 /nfs/dbraw/zinc/70/38/80/1176703880.db2.gz BOMIYAUVMUZASY-YOWGUQMCSA-N 2 2 288.395 1.497 10 30 CDEELP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001699977187 1176703882 /nfs/dbraw/zinc/70/38/82/1176703882.db2.gz BOMIYAUVMUZASY-YOWGUQMCSA-N 2 2 288.395 1.497 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001713120425 1178379660 /nfs/dbraw/zinc/37/96/60/1178379660.db2.gz BBYWEXDVJFWQOX-UKRRQHHQSA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001713558846 1178646293 /nfs/dbraw/zinc/64/62/93/1178646293.db2.gz WMUXCVWWZLYGJX-ZDUSSCGKSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001713558846 1178646297 /nfs/dbraw/zinc/64/62/97/1178646297.db2.gz WMUXCVWWZLYGJX-ZDUSSCGKSA-N 2 2 288.395 1.212 10 30 CDEELP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714118184 1178980127 /nfs/dbraw/zinc/98/01/27/1178980127.db2.gz MMJCBBVTKXUIOE-HNNXBMFYSA-N 2 2 288.395 1.186 10 30 CDEELP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714118184 1178980129 /nfs/dbraw/zinc/98/01/29/1178980129.db2.gz MMJCBBVTKXUIOE-HNNXBMFYSA-N 2 2 288.395 1.186 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714353106 1179101350 /nfs/dbraw/zinc/10/13/50/1179101350.db2.gz SXWJZLYLMIBLCQ-CYBMUJFWSA-N 2 2 296.374 1.638 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001715241418 1179592190 /nfs/dbraw/zinc/59/21/90/1179592190.db2.gz ZTNULMQTAHNEJN-KBPBESRZSA-N 2 2 290.411 1.364 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001715555325 1179714936 /nfs/dbraw/zinc/71/49/36/1179714936.db2.gz ASYBDSAIBPCXQG-KBPBESRZSA-N 2 2 288.395 1.158 10 30 CDEELP C=CC[NH2+]C/C=C/CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001715825615 1179851207 /nfs/dbraw/zinc/85/12/07/1179851207.db2.gz ZSGFHDPGGJOBNB-SNAWJCMRSA-N 2 2 288.395 1.210 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001715983319 1179962826 /nfs/dbraw/zinc/96/28/26/1179962826.db2.gz ORPWBCYIGUAUKU-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716494514 1180252378 /nfs/dbraw/zinc/25/23/78/1180252378.db2.gz GFCZOQBWNNNWER-MGPQQGTHSA-N 2 2 290.411 1.536 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716494514 1180252384 /nfs/dbraw/zinc/25/23/84/1180252384.db2.gz GFCZOQBWNNNWER-MGPQQGTHSA-N 2 2 290.411 1.536 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001716551377 1180281436 /nfs/dbraw/zinc/28/14/36/1180281436.db2.gz ZBYRZUXZIJHTRX-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001716672999 1180357901 /nfs/dbraw/zinc/35/79/01/1180357901.db2.gz JUSRUIJNABFQSB-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001716672999 1180357907 /nfs/dbraw/zinc/35/79/07/1180357907.db2.gz JUSRUIJNABFQSB-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C#CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001716672999 1180357916 /nfs/dbraw/zinc/35/79/16/1180357916.db2.gz JUSRUIJNABFQSB-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001716672999 1180357924 /nfs/dbraw/zinc/35/79/24/1180357924.db2.gz JUSRUIJNABFQSB-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001716781167 1180412291 /nfs/dbraw/zinc/41/22/91/1180412291.db2.gz MUFODQKOYLZFAQ-ZDUSSCGKSA-N 2 2 282.347 1.162 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717375350 1180636649 /nfs/dbraw/zinc/63/66/49/1180636649.db2.gz XAMXONZSTIHGCB-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001717757409 1180833870 /nfs/dbraw/zinc/83/38/70/1180833870.db2.gz XPRGKXWSRKHYQG-AWEZNQCLSA-N 2 2 276.384 1.123 10 30 CDEELP C=CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001717947098 1180941477 /nfs/dbraw/zinc/94/14/77/1180941477.db2.gz GFSDQMPAVNQEJS-HNNXBMFYSA-N 2 2 297.443 1.062 10 30 CDEELP C=CCC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001717947098 1180941481 /nfs/dbraw/zinc/94/14/81/1180941481.db2.gz GFSDQMPAVNQEJS-HNNXBMFYSA-N 2 2 297.443 1.062 10 30 CDEELP C=CCC[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001717947098 1180941486 /nfs/dbraw/zinc/94/14/86/1180941486.db2.gz GFSDQMPAVNQEJS-HNNXBMFYSA-N 2 2 297.443 1.062 10 30 CDEELP C=CCC[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001717947098 1180941490 /nfs/dbraw/zinc/94/14/90/1180941490.db2.gz GFSDQMPAVNQEJS-HNNXBMFYSA-N 2 2 297.443 1.062 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001717970665 1180953105 /nfs/dbraw/zinc/95/31/05/1180953105.db2.gz BJUJRRQXHLOSQV-CQSZACIVSA-N 2 2 292.427 1.957 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731834112 1182616296 /nfs/dbraw/zinc/61/62/96/1182616296.db2.gz LJBBZSIDXGFFQZ-KBPBESRZSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731834112 1182616302 /nfs/dbraw/zinc/61/63/02/1182616302.db2.gz LJBBZSIDXGFFQZ-KBPBESRZSA-N 2 2 276.384 1.601 10 30 CDEELP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001731957187 1182699342 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897017141 /nfs/dbraw/zinc/01/71/41/897017141.db2.gz AMBGEEJLSLEBDJ-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC001267524740 898235944 /nfs/dbraw/zinc/23/59/44/898235944.db2.gz FLVPHWMEJYWZAZ-MRXNPFEDSA-N 2 2 298.390 1.596 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001567734499 1168938771 /nfs/dbraw/zinc/93/87/71/1168938771.db2.gz BBMAKRCDBGOUNH-HNNXBMFYSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001567734499 1168938778 /nfs/dbraw/zinc/93/87/78/1168938778.db2.gz BBMAKRCDBGOUNH-HNNXBMFYSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001567741170 1168946884 /nfs/dbraw/zinc/94/68/84/1168946884.db2.gz CCHXCPPUUAPHQL-AWEZNQCLSA-N 2 2 290.411 1.319 10 30 CDEELP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001567741170 1168946890 /nfs/dbraw/zinc/94/68/90/1168946890.db2.gz CCHXCPPUUAPHQL-AWEZNQCLSA-N 2 2 290.411 1.319 10 30 CDEELP 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C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001275793434 932040638 /nfs/dbraw/zinc/04/06/38/932040638.db2.gz OXMBISVZCIMARY-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP C#CCC[NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001276077161 932493051 /nfs/dbraw/zinc/49/30/51/932493051.db2.gz VSTFBTPAQDEUMD-UHFFFAOYSA-N 2 2 284.363 1.638 10 30 CDEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C(C)C)CC1 ZINC001278194190 945090160 /nfs/dbraw/zinc/09/01/60/945090160.db2.gz IQSQZMYLGCTYMO-UHFFFAOYSA-N 2 2 288.395 1.287 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001277053904 941877655 /nfs/dbraw/zinc/87/76/55/941877655.db2.gz YIGOEGPXOZVEBK-RBSFLKMASA-N 2 2 290.411 1.895 10 30 CDEELP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001277349538 942406556 /nfs/dbraw/zinc/40/65/56/942406556.db2.gz OUSTZXHPDHYWQP-LLVKDONJSA-N 2 2 298.818 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001282681254 942739226 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C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001266007493 944625899 /nfs/dbraw/zinc/62/58/99/944625899.db2.gz ZIGGAQJPGJNXCM-ZFWWWQNUSA-N 2 2 290.411 1.888 10 30 CDEELP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001480102419 971576617 /nfs/dbraw/zinc/57/66/17/971576617.db2.gz FTCRASXVAGRNEN-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001480102419 971576624 /nfs/dbraw/zinc/57/66/24/971576624.db2.gz FTCRASXVAGRNEN-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001480102419 971576627 /nfs/dbraw/zinc/57/66/27/971576627.db2.gz FTCRASXVAGRNEN-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001480102419 971576631 /nfs/dbraw/zinc/57/66/31/971576631.db2.gz FTCRASXVAGRNEN-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001480149572 971602989 /nfs/dbraw/zinc/60/29/89/971602989.db2.gz FGCILNAUIFFDDL-JOCQHMNTSA-N 2 2 276.384 1.166 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001569065696 1169626376 /nfs/dbraw/zinc/62/63/76/1169626376.db2.gz RWZUEPNVLWISJA-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480696792 971842239 /nfs/dbraw/zinc/84/22/39/971842239.db2.gz JSJKOEOLDQQPFV-KBPBESRZSA-N 2 2 290.411 1.935 10 30 CDEELP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480696792 971842246 /nfs/dbraw/zinc/84/22/46/971842246.db2.gz JSJKOEOLDQQPFV-KBPBESRZSA-N 2 2 290.411 1.935 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001326733058 954516580 /nfs/dbraw/zinc/51/65/80/954516580.db2.gz AMWNEDMMVKBZRP-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001327938623 955120915 /nfs/dbraw/zinc/12/09/15/955120915.db2.gz FBBUDCDLGXLKEE-OLZOCXBDSA-N 2 2 288.395 1.147 10 30 CDEELP C#CCC[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317451617 957483412 /nfs/dbraw/zinc/48/34/12/957483412.db2.gz PGVLYNWZZIATSO-UHFFFAOYSA-N 2 2 270.336 1.248 10 30 CDEELP C#CCC[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317451617 957483416 /nfs/dbraw/zinc/48/34/16/957483416.db2.gz PGVLYNWZZIATSO-UHFFFAOYSA-N 2 2 270.336 1.248 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001425242116 957498352 /nfs/dbraw/zinc/49/83/52/957498352.db2.gz HNSBQFXIURKBNM-DGCLKSJQSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001425242116 957498355 /nfs/dbraw/zinc/49/83/55/957498355.db2.gz HNSBQFXIURKBNM-DGCLKSJQSA-N 2 2 299.846 1.517 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001317950736 957826265 /nfs/dbraw/zinc/82/62/65/957826265.db2.gz YVLSZWYUSYLLCO-CYBMUJFWSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001317950736 957826278 /nfs/dbraw/zinc/82/62/78/957826278.db2.gz YVLSZWYUSYLLCO-CYBMUJFWSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001494840643 972319312 /nfs/dbraw/zinc/31/93/12/972319312.db2.gz ZQBBAZJYXLLBJI-CYBMUJFWSA-N 2 2 276.384 1.071 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001494840643 972319313 /nfs/dbraw/zinc/31/93/13/972319313.db2.gz ZQBBAZJYXLLBJI-CYBMUJFWSA-N 2 2 276.384 1.071 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001321599344 959866160 /nfs/dbraw/zinc/86/61/60/959866160.db2.gz AXGLFYWYJQGAOV-CQSZACIVSA-N 2 2 296.374 1.604 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001323080054 960438023 /nfs/dbraw/zinc/43/80/23/960438023.db2.gz FKEHGNGYPHPQJV-UKRRQHHQSA-N 2 2 290.411 1.895 10 30 CDEELP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001569373360 1169819545 /nfs/dbraw/zinc/81/95/45/1169819545.db2.gz CLZOLAQHJZKTJK-XJKSGUPXSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001569373360 1169819521 /nfs/dbraw/zinc/81/95/21/1169819521.db2.gz CLZOLAQHJZKTJK-XJKSGUPXSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001569373360 1169819532 /nfs/dbraw/zinc/81/95/32/1169819532.db2.gz CLZOLAQHJZKTJK-XJKSGUPXSA-N 2 2 295.402 1.023 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001421354559 963566069 /nfs/dbraw/zinc/56/60/69/963566069.db2.gz ANOCKQJHTNIVTI-CQSZACIVSA-N 2 2 299.846 1.758 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001421354559 963566076 /nfs/dbraw/zinc/56/60/76/963566076.db2.gz ANOCKQJHTNIVTI-CQSZACIVSA-N 2 2 299.846 1.758 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001442553749 965112920 /nfs/dbraw/zinc/11/29/20/965112920.db2.gz RNGADLMKGIXQRS-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001442553749 965112928 /nfs/dbraw/zinc/11/29/28/965112928.db2.gz RNGADLMKGIXQRS-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001442553749 965112934 /nfs/dbraw/zinc/11/29/34/965112934.db2.gz RNGADLMKGIXQRS-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001442553749 965112941 /nfs/dbraw/zinc/11/29/41/965112941.db2.gz RNGADLMKGIXQRS-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP CCCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC001460541130 969519366 /nfs/dbraw/zinc/51/93/66/969519366.db2.gz HLMUPSZIABFBCY-UHFFFAOYSA-N 2 2 269.433 1.663 10 30 CDEELP CCCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC001460541130 969519373 /nfs/dbraw/zinc/51/93/73/969519373.db2.gz HLMUPSZIABFBCY-UHFFFAOYSA-N 2 2 269.433 1.663 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480547413 970067414 /nfs/dbraw/zinc/06/74/14/970067414.db2.gz ZZQYMMBWLILUNN-QWHCGFSZSA-N 2 2 264.373 1.505 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001496182499 972827888 /nfs/dbraw/zinc/82/78/88/972827888.db2.gz FKEQTKJOOVQBKL-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001496182499 972827895 /nfs/dbraw/zinc/82/78/95/972827895.db2.gz FKEQTKJOOVQBKL-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001496445514 972925700 /nfs/dbraw/zinc/92/57/00/972925700.db2.gz BYQQOOIFJNOWJI-JSGCOSHPSA-N 2 2 288.395 1.111 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001496900426 973137941 /nfs/dbraw/zinc/13/79/41/973137941.db2.gz YTNGOZBTTIQEEO-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001497279642 973274189 /nfs/dbraw/zinc/27/41/89/973274189.db2.gz ZYNPADYXCLWAFP-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001499136073 974193796 /nfs/dbraw/zinc/19/37/96/974193796.db2.gz GRLPNTWRMKWQCG-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001499136073 974193798 /nfs/dbraw/zinc/19/37/98/974193798.db2.gz GRLPNTWRMKWQCG-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[NH2+][C@H](CCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001506995885 975288553 /nfs/dbraw/zinc/28/85/53/975288553.db2.gz RTHFSMHTTXVTPP-CQSZACIVSA-N 2 2 292.427 1.957 10 30 CDEELP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001507086019 975330682 /nfs/dbraw/zinc/33/06/82/975330682.db2.gz JMYMKLIWMXYQHV-LSDHHAIUSA-N 2 2 290.411 1.540 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001405117916 975634314 /nfs/dbraw/zinc/63/43/14/975634314.db2.gz LITHBOFESNQLFI-QWHCGFSZSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001405117916 975634321 /nfs/dbraw/zinc/63/43/21/975634321.db2.gz LITHBOFESNQLFI-QWHCGFSZSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001403016234 976663104 /nfs/dbraw/zinc/66/31/04/976663104.db2.gz SSYSEZXACTWJSB-VXGBXAGGSA-N 2 2 298.818 1.588 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001391513748 976927204 /nfs/dbraw/zinc/92/72/04/976927204.db2.gz WTJDPUVWEVUSKD-GFCCVEGCSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001391513748 976927216 /nfs/dbraw/zinc/92/72/16/976927216.db2.gz WTJDPUVWEVUSKD-GFCCVEGCSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001393569394 977839659 /nfs/dbraw/zinc/83/96/59/977839659.db2.gz JBQPEHNKOAWFDZ-UHFFFAOYSA-N 2 2 282.775 1.264 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001675009838 1174058612 /nfs/dbraw/zinc/05/86/12/1174058612.db2.gz PWWVNEMEYOPCOT-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001675009838 1174058615 /nfs/dbraw/zinc/05/86/15/1174058615.db2.gz PWWVNEMEYOPCOT-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001675009838 1174058619 /nfs/dbraw/zinc/05/86/19/1174058619.db2.gz PWWVNEMEYOPCOT-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001675009838 1174058623 /nfs/dbraw/zinc/05/86/23/1174058623.db2.gz PWWVNEMEYOPCOT-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001677371590 1174354086 /nfs/dbraw/zinc/35/40/86/1174354086.db2.gz JFJHQIIZEVIDNE-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000651710592 398160650 /nfs/dbraw/zinc/16/06/50/398160650.db2.gz HONGBBJMMJTPDM-KFWWJZLASA-N 2 2 251.418 1.567 10 30 CDEELP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000651710592 398160654 /nfs/dbraw/zinc/16/06/54/398160654.db2.gz HONGBBJMMJTPDM-KFWWJZLASA-N 2 2 251.418 1.567 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000600724781 342245113 /nfs/dbraw/zinc/24/51/13/342245113.db2.gz ZZJLJQUOQUXPST-KBPBESRZSA-N 2 2 263.385 1.115 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000600724781 342245114 /nfs/dbraw/zinc/24/51/14/342245114.db2.gz ZZJLJQUOQUXPST-KBPBESRZSA-N 2 2 263.385 1.115 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000600756753 342247777 /nfs/dbraw/zinc/24/77/77/342247777.db2.gz PCPBWNIHZWIVFH-CABCVRRESA-N 2 2 277.412 1.648 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000600756753 342247778 /nfs/dbraw/zinc/24/77/78/342247778.db2.gz PCPBWNIHZWIVFH-CABCVRRESA-N 2 2 277.412 1.648 10 30 CDEELP Cc1cccn2cc(CNC(=O)[C@H]([NH3+])CCCCC#N)[nH+]c12 ZINC000594436821 342901648 /nfs/dbraw/zinc/90/16/48/342901648.db2.gz GGSOLPWGYABZJP-CQSZACIVSA-N 2 2 299.378 1.670 10 30 CDEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000081396300 342368346 /nfs/dbraw/zinc/36/83/46/342368346.db2.gz GZDISVGTFYTWEO-HNNXBMFYSA-N 2 2 290.411 1.698 10 30 CDEELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000596654281 343372188 /nfs/dbraw/zinc/37/21/88/343372188.db2.gz ZYIVDSHCHZVYAX-KGLIPLIRSA-N 2 2 265.401 1.817 10 30 CDEELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599677321 344116269 /nfs/dbraw/zinc/11/62/69/344116269.db2.gz FASSAZKMUNAARI-MRXNPFEDSA-N 2 2 287.407 1.423 10 30 CDEELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599677321 344116271 /nfs/dbraw/zinc/11/62/71/344116271.db2.gz FASSAZKMUNAARI-MRXNPFEDSA-N 2 2 287.407 1.423 10 30 CDEELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677321 344116274 /nfs/dbraw/zinc/11/62/74/344116274.db2.gz FASSAZKMUNAARI-MRXNPFEDSA-N 2 2 287.407 1.423 10 30 CDEELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677321 344116276 /nfs/dbraw/zinc/11/62/76/344116276.db2.gz FASSAZKMUNAARI-MRXNPFEDSA-N 2 2 287.407 1.423 10 30 CDEELP Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c(C#N)c[nH+]1 ZINC000601189068 349923449 /nfs/dbraw/zinc/92/34/49/349923449.db2.gz OSOFQFUFPJVTDK-OAHLLOKOSA-N 2 2 274.368 1.155 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085969484 179206563 /nfs/dbraw/zinc/20/65/63/179206563.db2.gz SLLGERGEPHKFMS-ZFWWWQNUSA-N 2 2 250.386 1.225 10 30 CDEELP CO[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)[C@](C)(C[NH3+])C1 ZINC000600885091 348287103 /nfs/dbraw/zinc/28/71/03/348287103.db2.gz KVJXRBQPJMLPNQ-HOTGVXAUSA-N 2 2 273.380 1.805 10 30 CDEELP CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)[C@](C)(C[NH3+])C1 ZINC000600885091 348287107 /nfs/dbraw/zinc/28/71/07/348287107.db2.gz KVJXRBQPJMLPNQ-HOTGVXAUSA-N 2 2 273.380 1.805 10 30 CDEELP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001660197708 1172172889 /nfs/dbraw/zinc/17/28/89/1172172889.db2.gz JNWORVZUZWTWOP-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001660197708 1172172897 /nfs/dbraw/zinc/17/28/97/1172172897.db2.gz JNWORVZUZWTWOP-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP CN(CC[NH+]1CCCC1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329744814 538636704 /nfs/dbraw/zinc/63/67/04/538636704.db2.gz QXFPMXBBLDFTAM-LBPRGKRZSA-N 2 2 291.399 1.209 10 30 CDEELP CN(CC[NH+]1CCCC1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329744814 538636720 /nfs/dbraw/zinc/63/67/20/538636720.db2.gz QXFPMXBBLDFTAM-LBPRGKRZSA-N 2 2 291.399 1.209 10 30 CDEELP C[NH+](C)Cc1cccc(OCCCC(=[NH2+])NC#N)c1 ZINC000027985368 358639221 /nfs/dbraw/zinc/63/92/21/358639221.db2.gz OYHXEUMOHSVSKH-UHFFFAOYSA-N 2 2 260.341 1.745 10 30 CDEELP N#Cc1csc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000385992598 366905017 /nfs/dbraw/zinc/90/50/17/366905017.db2.gz BCXCYRTXENPMFJ-SNVBAGLBSA-N 2 2 262.382 1.589 10 30 CDEELP N#Cc1csc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000385992598 366905022 /nfs/dbraw/zinc/90/50/22/366905022.db2.gz BCXCYRTXENPMFJ-SNVBAGLBSA-N 2 2 262.382 1.589 10 30 CDEELP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000353233221 375162141 /nfs/dbraw/zinc/16/21/41/375162141.db2.gz WPCZILSESNLJNP-SMDDNHRTSA-N 2 2 259.353 1.607 10 30 CDEELP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000353233221 375162143 /nfs/dbraw/zinc/16/21/43/375162143.db2.gz WPCZILSESNLJNP-SMDDNHRTSA-N 2 2 259.353 1.607 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292113483 378488915 /nfs/dbraw/zinc/48/89/15/378488915.db2.gz JJMCQFCGYXOJGB-RDJZCZTQSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292113483 378488919 /nfs/dbraw/zinc/48/89/19/378488919.db2.gz JJMCQFCGYXOJGB-RDJZCZTQSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292113483 378488921 /nfs/dbraw/zinc/48/89/21/378488921.db2.gz JJMCQFCGYXOJGB-RDJZCZTQSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292113483 378488927 /nfs/dbraw/zinc/48/89/27/378488927.db2.gz JJMCQFCGYXOJGB-RDJZCZTQSA-N 2 2 291.439 1.603 10 30 CDEELP C=CC[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)CCC[NH2+]1 ZINC000662664104 413270510 /nfs/dbraw/zinc/27/05/10/413270510.db2.gz NYPHWTOKRAKTLM-MRXNPFEDSA-N 2 2 284.363 1.649 10 30 CDEELP C=CC[N@@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001664894454 1172922618 /nfs/dbraw/zinc/92/26/18/1172922618.db2.gz WIBBWHVKRIKOLJ-UHFFFAOYSA-N 2 2 276.384 1.309 10 30 CDEELP C=CC[N@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001664894454 1172922630 /nfs/dbraw/zinc/92/26/30/1172922630.db2.gz WIBBWHVKRIKOLJ-UHFFFAOYSA-N 2 2 276.384 1.309 10 30 CDEELP N#Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750259 174395163 /nfs/dbraw/zinc/39/51/63/174395163.db2.gz RYIIDLZAYRADMJ-LQDVMPOASA-N 2 2 284.363 1.451 10 30 CDEELP N#Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750259 174395165 /nfs/dbraw/zinc/39/51/65/174395165.db2.gz RYIIDLZAYRADMJ-LQDVMPOASA-N 2 2 284.363 1.451 10 30 CDEELP N#CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044530899 175195312 /nfs/dbraw/zinc/19/53/12/175195312.db2.gz YDYLQFJCIWYLIV-AWEZNQCLSA-N 2 2 286.379 1.362 10 30 CDEELP N#CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044530899 175195314 /nfs/dbraw/zinc/19/53/14/175195314.db2.gz YDYLQFJCIWYLIV-AWEZNQCLSA-N 2 2 286.379 1.362 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045317174 175358536 /nfs/dbraw/zinc/35/85/36/175358536.db2.gz MDINZDJMNKEVCK-OAHLLOKOSA-N 3 2 266.433 1.814 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045317174 175358538 /nfs/dbraw/zinc/35/85/38/175358538.db2.gz MDINZDJMNKEVCK-OAHLLOKOSA-N 3 2 266.433 1.814 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CCc1[nH+]ccn1C ZINC001665822544 1173066854 /nfs/dbraw/zinc/06/68/54/1173066854.db2.gz FPICFTCQCYYAIE-ZDUSSCGKSA-N 2 2 278.400 1.413 10 30 CDEELP C[N@@H+](CC(=O)Nc1ccccc1C#N)C[C@H]1CC[NH+](C)C1 ZINC000071189112 176064998 /nfs/dbraw/zinc/06/49/98/176064998.db2.gz GDAKXYWFSMLCOL-ZDUSSCGKSA-N 2 2 286.379 1.380 10 30 CDEELP C[N@H+](CC(=O)Nc1ccccc1C#N)C[C@H]1CC[NH+](C)C1 ZINC000071189112 176065000 /nfs/dbraw/zinc/06/50/00/176065000.db2.gz GDAKXYWFSMLCOL-ZDUSSCGKSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1ccccc1C#N)C[C@H]1CC[N@H+](C)C1 ZINC000071189112 176065001 /nfs/dbraw/zinc/06/50/01/176065001.db2.gz GDAKXYWFSMLCOL-ZDUSSCGKSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1ccccc1C#N)C[C@H]1CC[N@@H+](C)C1 ZINC000071189112 176065003 /nfs/dbraw/zinc/06/50/03/176065003.db2.gz GDAKXYWFSMLCOL-ZDUSSCGKSA-N 2 2 286.379 1.380 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190780 176067932 /nfs/dbraw/zinc/06/79/32/176067932.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190780 176067933 /nfs/dbraw/zinc/06/79/33/176067933.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190780 176067934 /nfs/dbraw/zinc/06/79/34/176067934.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190780 176067935 /nfs/dbraw/zinc/06/79/35/176067935.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000568252842 334808831 /nfs/dbraw/zinc/80/88/31/334808831.db2.gz HBOWVKYKBNOWNG-ADKAHSJRSA-N 2 2 299.418 1.969 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268751590 1160014328 /nfs/dbraw/zinc/01/43/28/1160014328.db2.gz VAKHSAYGOKWDPC-KGLIPLIRSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268751590 1160014336 /nfs/dbraw/zinc/01/43/36/1160014336.db2.gz VAKHSAYGOKWDPC-KGLIPLIRSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268751590 1160014343 /nfs/dbraw/zinc/01/43/43/1160014343.db2.gz VAKHSAYGOKWDPC-KGLIPLIRSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268751590 1160014350 /nfs/dbraw/zinc/01/43/50/1160014350.db2.gz VAKHSAYGOKWDPC-KGLIPLIRSA-N 2 2 292.427 1.991 10 30 CDEELP CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760796 519949605 /nfs/dbraw/zinc/94/96/05/519949605.db2.gz KPUQJNXWDJLVPY-AWEZNQCLSA-N 2 2 258.369 1.775 10 30 CDEELP CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760796 519949610 /nfs/dbraw/zinc/94/96/10/519949610.db2.gz KPUQJNXWDJLVPY-AWEZNQCLSA-N 2 2 258.369 1.775 10 30 CDEELP CCC[NH2+][C@@H](C#N)CCN1CC[NH+](CC(C)C)CC1 ZINC000062439024 519984942 /nfs/dbraw/zinc/98/49/42/519984942.db2.gz MLTSQYQZKUJILJ-OAHLLOKOSA-N 2 2 266.433 1.542 10 30 CDEELP CCN1CC[NH+](Cc2ccccc2C#CC[NH3+])CC1 ZINC000049608708 521688792 /nfs/dbraw/zinc/68/87/92/521688792.db2.gz JULRAQIYVUZJDA-UHFFFAOYSA-N 2 2 257.381 1.134 10 30 CDEELP C=CCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896366 526530473 /nfs/dbraw/zinc/53/04/73/526530473.db2.gz MRDSHXOUYQJNIO-ZDUSSCGKSA-N 2 2 276.384 1.385 10 30 CDEELP C=CCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896366 526530476 /nfs/dbraw/zinc/53/04/76/526530476.db2.gz MRDSHXOUYQJNIO-ZDUSSCGKSA-N 2 2 276.384 1.385 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941163936 613782821 /nfs/dbraw/zinc/78/28/21/613782821.db2.gz QIQGFVUZHATZDV-AWEZNQCLSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941163936 613782822 /nfs/dbraw/zinc/78/28/22/613782822.db2.gz QIQGFVUZHATZDV-AWEZNQCLSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000899932432 622549602 /nfs/dbraw/zinc/54/96/02/622549602.db2.gz PQTSUGNVKCGNJM-UHFFFAOYSA-N 2 2 288.395 1.238 10 30 CDEELP C[C@H](C#N)OCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000801918876 624953193 /nfs/dbraw/zinc/95/31/93/624953193.db2.gz AUUKZLCKNLMWPR-HZPDHXFCSA-N 2 2 294.443 1.017 10 30 CDEELP C[C@H](C#N)OCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000801918876 624953211 /nfs/dbraw/zinc/95/32/11/624953211.db2.gz AUUKZLCKNLMWPR-HZPDHXFCSA-N 2 2 294.443 1.017 10 30 CDEELP N#Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000905294568 626723368 /nfs/dbraw/zinc/72/33/68/626723368.db2.gz YZDWLRUUXVURBB-UHFFFAOYSA-N 2 2 287.367 1.103 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000907835150 627854134 /nfs/dbraw/zinc/85/41/34/627854134.db2.gz CXGYXVDOISUGLG-OAHLLOKOSA-N 2 2 289.379 1.569 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266791176 1158830071 /nfs/dbraw/zinc/83/00/71/1158830071.db2.gz VROCVVXZNWOCMI-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266791176 1158830082 /nfs/dbraw/zinc/83/00/82/1158830082.db2.gz VROCVVXZNWOCMI-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001640019665 1166985778 /nfs/dbraw/zinc/98/57/78/1166985778.db2.gz DXYVDBCEQKZINA-CYBMUJFWSA-N 2 2 278.400 1.555 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001566906387 1168462504 /nfs/dbraw/zinc/46/25/04/1168462504.db2.gz KTHBHZVWDZBMPG-ZIAGYGMSSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001566906387 1168462507 /nfs/dbraw/zinc/46/25/07/1168462507.db2.gz KTHBHZVWDZBMPG-ZIAGYGMSSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001569373360 1169819509 /nfs/dbraw/zinc/81/95/09/1169819509.db2.gz CLZOLAQHJZKTJK-XJKSGUPXSA-N 2 2 295.402 1.023 10 30 CDEELP CC#CC[NH2+]CCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001571283458 1170359266 /nfs/dbraw/zinc/35/92/66/1170359266.db2.gz BXBBMQMBKXSRTJ-AWEZNQCLSA-N 2 2 298.390 1.846 10 30 CDEELP C#CCSCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001586305820 1172941277 /nfs/dbraw/zinc/94/12/77/1172941277.db2.gz YIUHBZMARVQKDX-UHFFFAOYSA-N 2 2 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C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482844911 908422887 /nfs/dbraw/zinc/42/28/87/908422887.db2.gz IKBSGCVKXFTTRQ-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001483149891 909844787 /nfs/dbraw/zinc/84/47/87/909844787.db2.gz SCYKGZVOVTWRLI-GFCCVEGCSA-N 2 2 272.352 1.618 10 30 CDEELP C#CC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001568043917 1169125914 /nfs/dbraw/zinc/12/59/14/1169125914.db2.gz QMVGXRAPQBECID-HOCLYGCPSA-N 2 2 288.395 1.171 10 30 CDEELP C#CCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001484719546 916098183 /nfs/dbraw/zinc/09/81/83/916098183.db2.gz ZFINIYCBYIAIPP-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001484719546 916098202 /nfs/dbraw/zinc/09/82/02/916098202.db2.gz ZFINIYCBYIAIPP-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001484719547 916099439 /nfs/dbraw/zinc/09/94/39/916099439.db2.gz ZFINIYCBYIAIPP-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001484719547 916099454 /nfs/dbraw/zinc/09/94/54/916099454.db2.gz ZFINIYCBYIAIPP-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001276929765 941705707 /nfs/dbraw/zinc/70/57/07/941705707.db2.gz ANZVOKXMSPZZRB-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001276929765 941705708 /nfs/dbraw/zinc/70/57/08/941705708.db2.gz ANZVOKXMSPZZRB-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001281954839 942637480 /nfs/dbraw/zinc/63/74/80/942637480.db2.gz GJZDXMLJYFBUSC-UKRRQHHQSA-N 2 2 290.411 1.697 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001281954839 942637482 /nfs/dbraw/zinc/63/74/82/942637482.db2.gz GJZDXMLJYFBUSC-UKRRQHHQSA-N 2 2 290.411 1.697 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001281954839 942637484 /nfs/dbraw/zinc/63/74/84/942637484.db2.gz GJZDXMLJYFBUSC-UKRRQHHQSA-N 2 2 290.411 1.697 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001281954839 942637485 /nfs/dbraw/zinc/63/74/85/942637485.db2.gz GJZDXMLJYFBUSC-UKRRQHHQSA-N 2 2 290.411 1.697 10 30 CDEELP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001283557327 942932713 /nfs/dbraw/zinc/93/27/13/942932713.db2.gz PSHWRTMQEVAEJS-OAHLLOKOSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001263873965 944017343 /nfs/dbraw/zinc/01/73/43/944017343.db2.gz MBFPPFOONJKWHI-HAQNSBGRSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[N@@H+](C)CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001265001273 944198553 /nfs/dbraw/zinc/19/85/53/944198553.db2.gz SBKGLCTZEQCFOU-UHFFFAOYSA-N 2 2 277.368 1.257 10 30 CDEELP C=CC[N@H+](C)CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001265001273 944198556 /nfs/dbraw/zinc/19/85/56/944198556.db2.gz SBKGLCTZEQCFOU-UHFFFAOYSA-N 2 2 277.368 1.257 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265401040 944373776 /nfs/dbraw/zinc/37/37/76/944373776.db2.gz IZRNSJONFQIARC-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265401040 944373785 /nfs/dbraw/zinc/37/37/85/944373785.db2.gz IZRNSJONFQIARC-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001278301160 945540939 /nfs/dbraw/zinc/54/09/39/945540939.db2.gz LCQFQSHKZCZORC-TZMCWYRMSA-N 2 2 276.384 1.497 10 30 CDEELP C=C(C)C[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001261285474 946035270 /nfs/dbraw/zinc/03/52/70/946035270.db2.gz IBCOQXDVIBBTAL-UHFFFAOYSA-N 2 2 291.439 1.583 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001279017703 948603761 /nfs/dbraw/zinc/60/37/61/948603761.db2.gz MYANOEDIAKDVDR-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491588644 955300451 /nfs/dbraw/zinc/30/04/51/955300451.db2.gz BSFQVWSEIWJBOP-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CCCC[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001328938796 955565780 /nfs/dbraw/zinc/56/57/80/955565780.db2.gz UHZRRHOOCDWSOE-UHFFFAOYSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001330000159 956230352 /nfs/dbraw/zinc/23/03/52/956230352.db2.gz NFAAIIVAXZAIRY-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001330000159 956230366 /nfs/dbraw/zinc/23/03/66/956230366.db2.gz NFAAIIVAXZAIRY-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001423945755 957051911 /nfs/dbraw/zinc/05/19/11/957051911.db2.gz HRNFIXKTBPFLTC-WCQYABFASA-N 2 2 296.802 1.320 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001318543640 958164683 /nfs/dbraw/zinc/16/46/83/958164683.db2.gz YVQSHUWPWDJCQG-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001319663398 958677429 /nfs/dbraw/zinc/67/74/29/958677429.db2.gz MZLUQVBRMQXYQV-OAHLLOKOSA-N 2 2 290.411 1.793 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320554098 959238290 /nfs/dbraw/zinc/23/82/90/959238290.db2.gz YTIWEPDIRQNYLR-MGPQQGTHSA-N 2 2 288.395 1.031 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321897651 960008796 /nfs/dbraw/zinc/00/87/96/960008796.db2.gz OLVLCCTVYCPYGO-NSHDSACASA-N 2 2 272.352 1.847 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001323079823 960438093 /nfs/dbraw/zinc/43/80/93/960438093.db2.gz CRJPVIHFKOUDCY-IUODEOHRSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001323079823 960438099 /nfs/dbraw/zinc/43/80/99/960438099.db2.gz CRJPVIHFKOUDCY-IUODEOHRSA-N 2 2 290.411 1.649 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](F)CC ZINC001496717805 973064063 /nfs/dbraw/zinc/06/40/63/973064063.db2.gz CXAHGYOJLOWXDO-GJZGRUSLSA-N 2 2 297.418 1.222 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](F)CC ZINC001496717805 973064066 /nfs/dbraw/zinc/06/40/66/973064066.db2.gz CXAHGYOJLOWXDO-GJZGRUSLSA-N 2 2 297.418 1.222 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](F)CC ZINC001496717805 973064071 /nfs/dbraw/zinc/06/40/71/973064071.db2.gz CXAHGYOJLOWXDO-GJZGRUSLSA-N 2 2 297.418 1.222 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001496796921 973102702 /nfs/dbraw/zinc/10/27/02/973102702.db2.gz PBQABHOWTIOBNY-GFCCVEGCSA-N 2 2 264.373 1.165 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001496796921 973102708 /nfs/dbraw/zinc/10/27/08/973102708.db2.gz PBQABHOWTIOBNY-GFCCVEGCSA-N 2 2 264.373 1.165 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001499287191 974229173 /nfs/dbraw/zinc/22/91/73/974229173.db2.gz HODHVQYETBDCTL-UHFFFAOYSA-N 2 2 282.347 1.210 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001499736837 974294847 /nfs/dbraw/zinc/29/48/47/974294847.db2.gz BALCUFRUKDXCES-UHFFFAOYSA-N 2 2 253.390 1.047 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001501143514 974541252 /nfs/dbraw/zinc/54/12/52/974541252.db2.gz PXCAGWULXNNGEE-JQWIXIFHSA-N 2 2 296.802 1.389 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C)C(C)(C)C ZINC001507960356 975569828 /nfs/dbraw/zinc/56/98/28/975569828.db2.gz BXIXUAKJNNIDCB-LSDHHAIUSA-N 2 2 291.439 1.391 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C)C(C)(C)C ZINC001507960356 975569840 /nfs/dbraw/zinc/56/98/40/975569840.db2.gz BXIXUAKJNNIDCB-LSDHHAIUSA-N 2 2 291.439 1.391 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001403959059 977283119 /nfs/dbraw/zinc/28/31/19/977283119.db2.gz PKASKORWUAPNRS-LBPRGKRZSA-N 2 2 298.818 1.756 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001571394739 1170409675 /nfs/dbraw/zinc/40/96/75/1170409675.db2.gz RCQQLACGDRUOIE-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCSC1 ZINC000600726758 342245417 /nfs/dbraw/zinc/24/54/17/342245417.db2.gz HBZLEZMBGDGKOF-JSGCOSHPSA-N 2 2 283.441 1.068 10 30 CDEELP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600742283 342247056 /nfs/dbraw/zinc/24/70/56/342247056.db2.gz SZGVJVHXNZFWDR-KBPBESRZSA-N 2 2 265.401 1.505 10 30 CDEELP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600742283 342247057 /nfs/dbraw/zinc/24/70/57/342247057.db2.gz SZGVJVHXNZFWDR-KBPBESRZSA-N 2 2 265.401 1.505 10 30 CDEELP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000623554040 347629289 /nfs/dbraw/zinc/62/92/89/347629289.db2.gz OZNLJWDOMHBTLI-LBPRGKRZSA-N 2 2 263.389 1.427 10 30 CDEELP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000623554040 347629292 /nfs/dbraw/zinc/62/92/92/347629292.db2.gz OZNLJWDOMHBTLI-LBPRGKRZSA-N 2 2 263.389 1.427 10 30 CDEELP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449394340 358539333 /nfs/dbraw/zinc/53/93/33/358539333.db2.gz NTELLGUOSJBRNF-RBSFLKMASA-N 2 2 265.401 1.505 10 30 CDEELP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449394340 358539337 /nfs/dbraw/zinc/53/93/37/358539337.db2.gz NTELLGUOSJBRNF-RBSFLKMASA-N 2 2 265.401 1.505 10 30 CDEELP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1C#N ZINC000226056526 364989007 /nfs/dbraw/zinc/98/90/07/364989007.db2.gz SMYONIFNLHOVDJ-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1C#N ZINC000226056526 364989008 /nfs/dbraw/zinc/98/90/08/364989008.db2.gz SMYONIFNLHOVDJ-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970923 391383286 /nfs/dbraw/zinc/38/32/86/391383286.db2.gz AZNSZOWYSNKATA-KGLIPLIRSA-N 2 2 292.427 1.211 10 30 CDEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970923 391383288 /nfs/dbraw/zinc/38/32/88/391383288.db2.gz AZNSZOWYSNKATA-KGLIPLIRSA-N 2 2 292.427 1.211 10 30 CDEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970923 391383291 /nfs/dbraw/zinc/38/32/91/391383291.db2.gz AZNSZOWYSNKATA-KGLIPLIRSA-N 2 2 292.427 1.211 10 30 CDEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970923 391383295 /nfs/dbraw/zinc/38/32/95/391383295.db2.gz AZNSZOWYSNKATA-KGLIPLIRSA-N 2 2 292.427 1.211 10 30 CDEELP CCN1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688841 175095290 /nfs/dbraw/zinc/09/52/90/175095290.db2.gz ACCVUENJHFKHJK-UHFFFAOYSA-N 2 2 263.410 1.196 10 30 CDEELP CCCN[C@@](C)(C#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045179576 175323923 /nfs/dbraw/zinc/32/39/23/175323923.db2.gz VDCPGJZPERURNK-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CCCN[C@@](C)(C#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045179576 175323924 /nfs/dbraw/zinc/32/39/24/175323924.db2.gz VDCPGJZPERURNK-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001667346961 1173257673 /nfs/dbraw/zinc/25/76/73/1173257673.db2.gz UFQJJUHFAAJVCG-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001672240182 1173754869 /nfs/dbraw/zinc/75/48/69/1173754869.db2.gz FOCQEICKUUXIEC-KGLIPLIRSA-N 2 2 290.411 1.365 10 30 CDEELP C[C@@H]([NH2+]CC(=O)NCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909786 333200301 /nfs/dbraw/zinc/20/03/01/333200301.db2.gz UMWUATDTFWNOCM-GFCCVEGCSA-N 2 2 283.335 1.163 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268751592 1160014975 /nfs/dbraw/zinc/01/49/75/1160014975.db2.gz VAKHSAYGOKWDPC-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268751592 1160014979 /nfs/dbraw/zinc/01/49/79/1160014979.db2.gz VAKHSAYGOKWDPC-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268751592 1160014964 /nfs/dbraw/zinc/01/49/64/1160014964.db2.gz VAKHSAYGOKWDPC-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268751592 1160014969 /nfs/dbraw/zinc/01/49/69/1160014969.db2.gz VAKHSAYGOKWDPC-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001732597380 1183040642 /nfs/dbraw/zinc/04/06/42/1183040642.db2.gz HIACKSUBJTTYRT-UHFFFAOYSA-N 2 2 264.373 1.227 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001732597380 1183040649 /nfs/dbraw/zinc/04/06/49/1183040649.db2.gz HIACKSUBJTTYRT-UHFFFAOYSA-N 2 2 264.373 1.227 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001690107024 1175378046 /nfs/dbraw/zinc/37/80/46/1175378046.db2.gz ZKQBMUYNWSFHIG-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001690107024 1175378052 /nfs/dbraw/zinc/37/80/52/1175378052.db2.gz ZKQBMUYNWSFHIG-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001690107024 1175378056 /nfs/dbraw/zinc/37/80/56/1175378056.db2.gz ZKQBMUYNWSFHIG-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001690107024 1175378063 /nfs/dbraw/zinc/37/80/63/1175378063.db2.gz ZKQBMUYNWSFHIG-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941131314 613018106 /nfs/dbraw/zinc/01/81/06/613018106.db2.gz YHENWGUVISCXOK-CYBMUJFWSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941131314 613018107 /nfs/dbraw/zinc/01/81/07/613018107.db2.gz YHENWGUVISCXOK-CYBMUJFWSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247387 613598384 /nfs/dbraw/zinc/59/83/84/613598384.db2.gz JZJBRXIKYFQIAC-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247387 613598387 /nfs/dbraw/zinc/59/83/87/613598387.db2.gz JZJBRXIKYFQIAC-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[NH+]1CCC([NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924984238 618538745 /nfs/dbraw/zinc/53/87/45/618538745.db2.gz PZRBBNXABMSQIA-CHWSQXEVSA-N 2 2 252.402 1.897 10 30 CDEELP CC(C)([NH3+])C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903987998 626174915 /nfs/dbraw/zinc/17/49/15/626174915.db2.gz MFTKRCBMONKKSN-ZDUSSCGKSA-N 2 2 273.384 1.567 10 30 CDEELP CC(C)([NH3+])C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903987998 626174918 /nfs/dbraw/zinc/17/49/18/626174918.db2.gz MFTKRCBMONKKSN-ZDUSSCGKSA-N 2 2 273.384 1.567 10 30 CDEELP CC(C)(C)[NH+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000912506718 630047957 /nfs/dbraw/zinc/04/79/57/630047957.db2.gz BGNCYFIGCSCQBQ-ZDUSSCGKSA-N 2 2 293.415 1.396 10 30 CDEELP C#CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001772519853 1158570165 /nfs/dbraw/zinc/57/01/65/1158570165.db2.gz UTRWCHLAGZSRFB-UHFFFAOYSA-N 2 2 296.374 1.600 10 30 CDEELP C=CCCC[NH+]1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671192663 1167012432 /nfs/dbraw/zinc/01/24/32/1167012432.db2.gz GOXCCBWLYHCTNA-UHFFFAOYSA-N 2 2 276.384 1.369 10 30 CDEELP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001277314052 1167383826 /nfs/dbraw/zinc/38/38/26/1167383826.db2.gz MGRRTCFGMDDTOU-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001277314052 1167383834 /nfs/dbraw/zinc/38/38/34/1167383834.db2.gz MGRRTCFGMDDTOU-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001569306326 1169756877 /nfs/dbraw/zinc/75/68/77/1169756877.db2.gz LWXLMTMXLRHTEB-MGPQQGTHSA-N 2 2 288.395 1.574 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001569306326 1169756883 /nfs/dbraw/zinc/75/68/83/1169756883.db2.gz LWXLMTMXLRHTEB-MGPQQGTHSA-N 2 2 288.395 1.574 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001662646989 1172575456 /nfs/dbraw/zinc/57/54/56/1172575456.db2.gz YNUJRBVXBIUNPN-BFHYXJOUSA-N 2 2 288.395 1.527 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001662646989 1172575461 /nfs/dbraw/zinc/57/54/61/1172575461.db2.gz YNUJRBVXBIUNPN-BFHYXJOUSA-N 2 2 288.395 1.527 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001662690281 1172580933 /nfs/dbraw/zinc/58/09/33/1172580933.db2.gz FDGUNDRVRRURPM-GJZGRUSLSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001681663483 1174590727 /nfs/dbraw/zinc/59/07/27/1174590727.db2.gz LYHGBJHGMCREFG-CQSZACIVSA-N 2 2 290.411 1.727 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001690594200 1175515531 /nfs/dbraw/zinc/51/55/31/1175515531.db2.gz RPXHJMBWGAZQQQ-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C#CC[NH2+][C@H](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001690848488 1175589636 /nfs/dbraw/zinc/58/96/36/1175589636.db2.gz CTUMTHUUKJQTLE-CABCVRRESA-N 2 2 290.411 1.588 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001699120499 1176101798 /nfs/dbraw/zinc/10/17/98/1176101798.db2.gz WDJKKHQYAACQOS-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001699450860 1176414742 /nfs/dbraw/zinc/41/47/42/1176414742.db2.gz MNTVAFKPYSPUMC-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001699450860 1176414747 /nfs/dbraw/zinc/41/47/47/1176414747.db2.gz MNTVAFKPYSPUMC-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001700754853 1177115774 /nfs/dbraw/zinc/11/57/74/1177115774.db2.gz AZZYUYGKWACVGG-LBPRGKRZSA-N 2 2 277.368 1.255 10 30 CDEELP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700838849 1177158741 /nfs/dbraw/zinc/15/87/41/1177158741.db2.gz ARJCTIMXHQYAGA-GXTWGEPZSA-N 2 2 296.374 1.779 10 30 CDEELP C=CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001700925442 1177197801 /nfs/dbraw/zinc/19/78/01/1177197801.db2.gz ADMWQFLVZJESGW-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001713002820 1178293525 /nfs/dbraw/zinc/29/35/25/1178293525.db2.gz OPAZJQVOTPKCJB-ZIAGYGMSSA-N 2 2 288.395 1.335 10 30 CDEELP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713134319 1178388305 /nfs/dbraw/zinc/38/83/05/1178388305.db2.gz LHZMZCOUSHQGGY-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713134319 1178388311 /nfs/dbraw/zinc/38/83/11/1178388311.db2.gz LHZMZCOUSHQGGY-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001713910821 1178834725 /nfs/dbraw/zinc/83/47/25/1178834725.db2.gz RDLZKBWOIAQTST-GASCZTMLSA-N 2 2 293.455 1.826 10 30 CDEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001713910821 1178834732 /nfs/dbraw/zinc/83/47/32/1178834732.db2.gz RDLZKBWOIAQTST-GASCZTMLSA-N 2 2 293.455 1.826 10 30 CDEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001713910821 1178834738 /nfs/dbraw/zinc/83/47/38/1178834738.db2.gz RDLZKBWOIAQTST-GASCZTMLSA-N 2 2 293.455 1.826 10 30 CDEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001713910821 1178834742 /nfs/dbraw/zinc/83/47/42/1178834742.db2.gz RDLZKBWOIAQTST-GASCZTMLSA-N 2 2 293.455 1.826 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713951963 1178884271 /nfs/dbraw/zinc/88/42/71/1178884271.db2.gz RULHBOUUDIKADG-AAVRWANBSA-N 2 2 288.395 1.716 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001713951963 1178884282 /nfs/dbraw/zinc/88/42/82/1178884282.db2.gz RULHBOUUDIKADG-AAVRWANBSA-N 2 2 288.395 1.716 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001715022369 1179514896 /nfs/dbraw/zinc/51/48/96/1179514896.db2.gz DRKRVWIIRGPLJN-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP 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147065540 /nfs/dbraw/zinc/06/55/40/147065540.db2.gz KYASNKRWJHIZEM-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093770220 147065542 /nfs/dbraw/zinc/06/55/42/147065542.db2.gz KYASNKRWJHIZEM-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093770220 147065544 /nfs/dbraw/zinc/06/55/44/147065544.db2.gz KYASNKRWJHIZEM-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093770220 147065545 /nfs/dbraw/zinc/06/55/45/147065545.db2.gz KYASNKRWJHIZEM-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP CC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093770220 147065547 /nfs/dbraw/zinc/06/55/47/147065547.db2.gz KYASNKRWJHIZEM-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP CC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093770220 147065549 /nfs/dbraw/zinc/06/55/49/147065549.db2.gz KYASNKRWJHIZEM-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP C=CC[C@@]1(C(=O)Nc2c[nH+]ccc2OC)CCC[NH2+]1 ZINC000662701552 413344681 /nfs/dbraw/zinc/34/46/81/413344681.db2.gz QRVFDTHYGZJUSD-AWEZNQCLSA-N 2 2 261.325 1.727 10 30 CDEELP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)o1 ZINC000371470505 160014037 /nfs/dbraw/zinc/01/40/37/160014037.db2.gz LXJKWDRQFNGOTO-UHOFOFEASA-N 2 2 289.379 1.835 10 30 CDEELP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)o1 ZINC000371470505 160014038 /nfs/dbraw/zinc/01/40/38/160014038.db2.gz LXJKWDRQFNGOTO-UHOFOFEASA-N 2 2 289.379 1.835 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001665664858 1173034118 /nfs/dbraw/zinc/03/41/18/1173034118.db2.gz UMFJNKSTEICSDP-KGLIPLIRSA-N 2 2 276.384 1.553 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001665664858 1173034124 /nfs/dbraw/zinc/03/41/24/1173034124.db2.gz UMFJNKSTEICSDP-KGLIPLIRSA-N 2 2 276.384 1.553 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000037236773 173054711 /nfs/dbraw/zinc/05/47/11/173054711.db2.gz XBRGZXYNALTFIE-UHFFFAOYSA-N 3 2 263.429 1.546 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190770 176069034 /nfs/dbraw/zinc/06/90/34/176069034.db2.gz GBWLVBXAIYLVEE-JKSUJKDBSA-N 3 2 280.460 1.930 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190770 176069035 /nfs/dbraw/zinc/06/90/35/176069035.db2.gz GBWLVBXAIYLVEE-JKSUJKDBSA-N 3 2 280.460 1.930 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190770 176069037 /nfs/dbraw/zinc/06/90/37/176069037.db2.gz GBWLVBXAIYLVEE-JKSUJKDBSA-N 3 2 280.460 1.930 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190770 176069039 /nfs/dbraw/zinc/06/90/39/176069039.db2.gz GBWLVBXAIYLVEE-JKSUJKDBSA-N 3 2 280.460 1.930 10 30 CDEELP CCNC(NCc1ccnc(-n2cc[nH+]c2)c1)=[NH+]CC ZINC000371483403 261249311 /nfs/dbraw/zinc/24/93/11/261249311.db2.gz YLJHPIYBGBJLSU-UHFFFAOYSA-N 2 2 272.356 1.342 10 30 CDEELP Cn1c[nH+]c(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000263207848 330049219 /nfs/dbraw/zinc/04/92/19/330049219.db2.gz YOQROJITMBNUNV-AWEZNQCLSA-N 2 2 299.378 1.391 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001700448420 1176934391 /nfs/dbraw/zinc/93/43/91/1176934391.db2.gz LJJXQJDGQAXMMI-UHFFFAOYSA-N 2 2 264.373 1.143 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCN1CC[NH+](CC(C)C)CC1 ZINC000055081060 520225923 /nfs/dbraw/zinc/22/59/23/520225923.db2.gz JBRBIUXXYAUVLF-HNNXBMFYSA-N 2 2 266.433 1.542 10 30 CDEELP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000049608599 523203424 /nfs/dbraw/zinc/20/34/24/523203424.db2.gz FIDZTBYZAGUBRW-UHFFFAOYSA-N 3 2 271.408 1.523 10 30 CDEELP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000049608599 523203438 /nfs/dbraw/zinc/20/34/38/523203438.db2.gz FIDZTBYZAGUBRW-UHFFFAOYSA-N 3 2 271.408 1.523 10 30 CDEELP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)CCO1 ZINC000049608505 524994652 /nfs/dbraw/zinc/99/46/52/524994652.db2.gz ITAAWBPXLBDREC-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)CCO1 ZINC000049608505 524994657 /nfs/dbraw/zinc/99/46/57/524994657.db2.gz ITAAWBPXLBDREC-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C#CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000763957532 576768236 /nfs/dbraw/zinc/76/82/36/576768236.db2.gz BXEVFSQGMIJLLD-KRWDZBQOSA-N 2 2 272.392 1.577 10 30 CDEELP C#CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000763957532 576768238 /nfs/dbraw/zinc/76/82/38/576768238.db2.gz BXEVFSQGMIJLLD-KRWDZBQOSA-N 2 2 272.392 1.577 10 30 CDEELP C#CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000763957532 576768240 /nfs/dbraw/zinc/76/82/40/576768240.db2.gz BXEVFSQGMIJLLD-KRWDZBQOSA-N 2 2 272.392 1.577 10 30 CDEELP C#CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000763957532 576768241 /nfs/dbraw/zinc/76/82/41/576768241.db2.gz BXEVFSQGMIJLLD-KRWDZBQOSA-N 2 2 272.392 1.577 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000924990020 618553111 /nfs/dbraw/zinc/55/31/11/618553111.db2.gz XARUQBOJWZMILZ-AWEZNQCLSA-N 2 2 268.401 1.768 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000901203231 623995493 /nfs/dbraw/zinc/99/54/93/623995493.db2.gz HQGDWIGDYIPACE-CYBMUJFWSA-N 2 2 276.384 1.244 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001670807248 1160168943 /nfs/dbraw/zinc/16/89/43/1160168943.db2.gz GNCGYKZWKWEUOI-UHFFFAOYSA-N 2 2 289.379 1.447 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)CCCn1cc[nH+]c1 ZINC001626751040 1165956780 /nfs/dbraw/zinc/95/67/80/1165956780.db2.gz QKOJBEBYEPSPEX-UHFFFAOYSA-N 2 2 278.400 1.630 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)CCCn1cc[nH+]c1 ZINC001626751040 1165956788 /nfs/dbraw/zinc/95/67/88/1165956788.db2.gz QKOJBEBYEPSPEX-UHFFFAOYSA-N 2 2 278.400 1.630 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC001640019470 1166985011 /nfs/dbraw/zinc/98/50/11/1166985011.db2.gz CRFAHHUZTQUXJC-UHFFFAOYSA-N 2 2 264.373 1.227 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001567022211 1168515290 /nfs/dbraw/zinc/51/52/90/1168515290.db2.gz RTDXOLJYUJAKDV-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001567132050 1168588997 /nfs/dbraw/zinc/58/89/97/1168588997.db2.gz WOFIGDSRABHGQR-CYBMUJFWSA-N 2 2 289.379 1.257 10 30 CDEELP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001570542284 1170183480 /nfs/dbraw/zinc/18/34/80/1170183480.db2.gz QTRDANRWUGFOOP-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001570542284 1170183486 /nfs/dbraw/zinc/18/34/86/1170183486.db2.gz QTRDANRWUGFOOP-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001571129696 1170338766 /nfs/dbraw/zinc/33/87/66/1170338766.db2.gz MAXVVFDCJWIFJA-MGPQQGTHSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001571412827 1170417944 /nfs/dbraw/zinc/41/79/44/1170417944.db2.gz HACRVICKZISJRP-GFCCVEGCSA-N 2 2 278.400 1.700 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001667478431 1173274085 /nfs/dbraw/zinc/27/40/85/1173274085.db2.gz JIQRZVKMUPQZAJ-ZDUSSCGKSA-N 2 2 286.379 1.864 10 30 CDEELP C#CCC[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001676013792 1174173939 /nfs/dbraw/zinc/17/39/39/1174173939.db2.gz ROVGBJQWULPNAJ-GFCCVEGCSA-N 2 2 276.384 1.158 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001698797051 1175938686 /nfs/dbraw/zinc/93/86/86/1175938686.db2.gz IRUDXRKOMKKSBK-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001698797051 1175938688 /nfs/dbraw/zinc/93/86/88/1175938688.db2.gz IRUDXRKOMKKSBK-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001698833418 1175955310 /nfs/dbraw/zinc/95/53/10/1175955310.db2.gz LJNBDCRKUTWCJA-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001699190695 1176133448 /nfs/dbraw/zinc/13/34/48/1176133448.db2.gz NPCFYNHBEGIYCR-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001699666242 1176560204 /nfs/dbraw/zinc/56/02/04/1176560204.db2.gz REFQNQDMUKLDHF-LBPRGKRZSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001699666242 1176560213 /nfs/dbraw/zinc/56/02/13/1176560213.db2.gz REFQNQDMUKLDHF-LBPRGKRZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001699970614 1176702036 /nfs/dbraw/zinc/70/20/36/1176702036.db2.gz MLBZMHYDOMLWND-STQMWFEESA-N 2 2 276.384 1.212 10 30 CDEELP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707064636 1177936019 /nfs/dbraw/zinc/93/60/19/1177936019.db2.gz YOJDLUVXWHGLNM-JKSUJKDBSA-N 2 2 291.439 1.273 10 30 CDEELP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707064636 1177936027 /nfs/dbraw/zinc/93/60/27/1177936027.db2.gz YOJDLUVXWHGLNM-JKSUJKDBSA-N 2 2 291.439 1.273 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001707086263 1177945435 /nfs/dbraw/zinc/94/54/35/1177945435.db2.gz AWRQTXBPJATDGY-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713245297 1178449547 /nfs/dbraw/zinc/44/95/47/1178449547.db2.gz AEYLRIRQLCWOQD-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713318664 1178494215 /nfs/dbraw/zinc/49/42/15/1178494215.db2.gz MSTROHJPYIPTFX-GFCCVEGCSA-N 2 2 278.400 1.597 10 30 CDEELP C=CC[NH2+]Cc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001714323117 1179084117 /nfs/dbraw/zinc/08/41/17/1179084117.db2.gz UECVGDUUTPHKSU-UHFFFAOYSA-N 2 2 298.390 1.853 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001714668483 1179311841 /nfs/dbraw/zinc/31/18/41/1179311841.db2.gz DYYNWBMTBGPSMZ-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)CC[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001714738817 1179367571 /nfs/dbraw/zinc/36/75/71/1179367571.db2.gz UUTDCFCMIUUTSV-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001715004649 1179502545 /nfs/dbraw/zinc/50/25/45/1179502545.db2.gz IXNNYNDZGWHMEA-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001715004649 1179502549 /nfs/dbraw/zinc/50/25/49/1179502549.db2.gz IXNNYNDZGWHMEA-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001715423472 1179663885 /nfs/dbraw/zinc/66/38/85/1179663885.db2.gz RNFGTGBEFKRECG-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001716520761 1180265855 /nfs/dbraw/zinc/26/58/55/1180265855.db2.gz NOSOZJIXCVIFLJ-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001716640143 1180318854 /nfs/dbraw/zinc/31/88/54/1180318854.db2.gz XFMBKYZREGTZJC-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717748772 1180827121 /nfs/dbraw/zinc/82/71/21/1180827121.db2.gz PCVFPYPJNXYXDC-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001723473194 1181572937 /nfs/dbraw/zinc/57/29/37/1181572937.db2.gz JWSXLSREGIIUJI-OAHLLOKOSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001723473194 1181572940 /nfs/dbraw/zinc/57/29/40/1181572940.db2.gz JWSXLSREGIIUJI-OAHLLOKOSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[NH+]1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001723781755 1181602511 /nfs/dbraw/zinc/60/25/11/1181602511.db2.gz LNCFTBKUTFRXSA-UHFFFAOYSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001725495732 1182024651 /nfs/dbraw/zinc/02/46/51/1182024651.db2.gz ODALDZVGJWYONT-ZDUSSCGKSA-N 2 2 291.395 1.645 10 30 CDEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001725681575 1182095875 /nfs/dbraw/zinc/09/58/75/1182095875.db2.gz SHAKGLORSFJJGQ-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001731540003 1182440433 /nfs/dbraw/zinc/44/04/33/1182440433.db2.gz YFEIVMYUPSUIQW-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001731540003 1182440436 /nfs/dbraw/zinc/44/04/36/1182440436.db2.gz YFEIVMYUPSUIQW-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001732423862 1182958309 /nfs/dbraw/zinc/95/83/09/1182958309.db2.gz VIOXIXATOOJMRO-GJZGRUSLSA-N 2 2 290.411 1.540 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001732785342 1183124370 /nfs/dbraw/zinc/12/43/70/1183124370.db2.gz LPBXMBFDOZXLLN-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C=CC[NH2+]C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732996194 1183227993 /nfs/dbraw/zinc/22/79/93/1183227993.db2.gz HCMBGGYFSUBFDF-NSHDSACASA-N 2 2 272.352 1.537 10 30 CDEELP C[C@@H](C#N)OCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706256595 773976500 /nfs/dbraw/zinc/97/65/00/773976500.db2.gz QDRRRJWWPUEWGA-MELADBBJSA-N 2 2 251.374 1.189 10 30 CDEELP C[C@@H](C#N)OCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706256595 773976519 /nfs/dbraw/zinc/97/65/19/773976519.db2.gz QDRRRJWWPUEWGA-MELADBBJSA-N 2 2 251.374 1.189 10 30 CDEELP C[C@@H](C#N)OCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000706256595 773976535 /nfs/dbraw/zinc/97/65/35/773976535.db2.gz QDRRRJWWPUEWGA-MELADBBJSA-N 2 2 251.374 1.189 10 30 CDEELP C[C@@H](C#N)OCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000706256595 773976543 /nfs/dbraw/zinc/97/65/43/773976543.db2.gz QDRRRJWWPUEWGA-MELADBBJSA-N 2 2 251.374 1.189 10 30 CDEELP C=CC[C@H](CO)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925697504 775143298 /nfs/dbraw/zinc/14/32/98/775143298.db2.gz ORJHFPJPVWKVOB-SOUVJXGZSA-N 2 2 252.402 1.778 10 30 CDEELP C=CC[C@H](CO)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925697504 775143307 /nfs/dbraw/zinc/14/33/07/775143307.db2.gz ORJHFPJPVWKVOB-SOUVJXGZSA-N 2 2 252.402 1.778 10 30 CDEELP C#C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000847022740 775320558 /nfs/dbraw/zinc/32/05/58/775320558.db2.gz JNHLEIIBGJHGHW-WMZOPIPTSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000847022740 775320571 /nfs/dbraw/zinc/32/05/71/775320571.db2.gz JNHLEIIBGJHGHW-WMZOPIPTSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000847022740 775320585 /nfs/dbraw/zinc/32/05/85/775320585.db2.gz JNHLEIIBGJHGHW-WMZOPIPTSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000847022740 775320597 /nfs/dbraw/zinc/32/05/97/775320597.db2.gz JNHLEIIBGJHGHW-WMZOPIPTSA-N 2 2 286.419 1.825 10 30 CDEELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)CC#N)C1 ZINC000809574252 776500018 /nfs/dbraw/zinc/50/00/18/776500018.db2.gz IGIDFTOOJNFKSP-HRCADAONSA-N 2 2 279.428 1.847 10 30 CDEELP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)CC#N)C1 ZINC000809574252 776500031 /nfs/dbraw/zinc/50/00/31/776500031.db2.gz IGIDFTOOJNFKSP-HRCADAONSA-N 2 2 279.428 1.847 10 30 CDEELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000809574252 776500053 /nfs/dbraw/zinc/50/00/53/776500053.db2.gz IGIDFTOOJNFKSP-HRCADAONSA-N 2 2 279.428 1.847 10 30 CDEELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)CC#N)C1 ZINC000809574252 776500068 /nfs/dbraw/zinc/50/00/68/776500068.db2.gz IGIDFTOOJNFKSP-HRCADAONSA-N 2 2 279.428 1.847 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000876926695 777861617 /nfs/dbraw/zinc/86/16/17/777861617.db2.gz CXPPEJVHOVCODE-GFCCVEGCSA-N 2 2 267.760 1.785 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878060309 778908113 /nfs/dbraw/zinc/90/81/13/778908113.db2.gz UKDWRIGPVPBUEQ-OLZOCXBDSA-N 2 2 263.341 1.638 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878060309 778908120 /nfs/dbraw/zinc/90/81/20/778908120.db2.gz UKDWRIGPVPBUEQ-OLZOCXBDSA-N 2 2 263.341 1.638 10 30 CDEELP N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000709017110 778964142 /nfs/dbraw/zinc/96/41/42/778964142.db2.gz XTTIVRAIMKLWQT-CVEARBPZSA-N 2 2 273.380 1.795 10 30 CDEELP N#Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000709017110 778964146 /nfs/dbraw/zinc/96/41/46/778964146.db2.gz XTTIVRAIMKLWQT-CVEARBPZSA-N 2 2 273.380 1.795 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001483660136 912403409 /nfs/dbraw/zinc/40/34/09/912403409.db2.gz YCDORDAZUZPMGG-CQSZACIVSA-N 2 2 290.411 1.693 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266880898 896272699 /nfs/dbraw/zinc/27/26/99/896272699.db2.gz QVYHMONWEWBFMC-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C#CC[N@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267575863 898484139 /nfs/dbraw/zinc/48/41/39/898484139.db2.gz LLDPDYMDWVDHFU-CABCVRRESA-N 2 2 288.395 1.296 10 30 CDEELP C#CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267575863 898484147 /nfs/dbraw/zinc/48/41/47/898484147.db2.gz LLDPDYMDWVDHFU-CABCVRRESA-N 2 2 288.395 1.296 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001481112984 898884528 /nfs/dbraw/zinc/88/45/28/898884528.db2.gz ORXONDDJMLETOD-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001481112984 898884536 /nfs/dbraw/zinc/88/45/36/898884536.db2.gz ORXONDDJMLETOD-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267670910 899214229 /nfs/dbraw/zinc/21/42/29/899214229.db2.gz PZDKWBNPEDKSPH-HNNXBMFYSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267670910 899214244 /nfs/dbraw/zinc/21/42/44/899214244.db2.gz PZDKWBNPEDKSPH-HNNXBMFYSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001272653277 914410418 /nfs/dbraw/zinc/41/04/18/914410418.db2.gz PSSNIXYQOSCTNT-ZDUSSCGKSA-N 2 2 296.802 1.464 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001268034532 900683154 /nfs/dbraw/zinc/68/31/54/900683154.db2.gz KXDQWFKDWWYSAH-CHWSQXEVSA-N 2 2 288.395 1.718 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001268034532 900683158 /nfs/dbraw/zinc/68/31/58/900683158.db2.gz KXDQWFKDWWYSAH-CHWSQXEVSA-N 2 2 288.395 1.718 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001481734472 901976960 /nfs/dbraw/zinc/97/69/60/901976960.db2.gz GZVWAGAADKKALT-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001481734472 901976972 /nfs/dbraw/zinc/97/69/72/901976972.db2.gz GZVWAGAADKKALT-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001482424277 905351277 /nfs/dbraw/zinc/35/12/77/905351277.db2.gz RIFOZVAFJUECQR-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001482424277 905351295 /nfs/dbraw/zinc/35/12/95/905351295.db2.gz RIFOZVAFJUECQR-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[NH2+]CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001482938975 908507867 /nfs/dbraw/zinc/50/78/67/908507867.db2.gz KIPLBYBQVUDRCP-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484359606 915663567 /nfs/dbraw/zinc/66/35/67/915663567.db2.gz XCKWNSQEYOXUFX-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485893246 920553445 /nfs/dbraw/zinc/55/34/45/920553445.db2.gz IWRILALWCRZIJA-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CCCC[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001491364992 936898694 /nfs/dbraw/zinc/89/86/94/936898694.db2.gz KNEFPFUUMFDWAM-UHFFFAOYSA-N 2 2 290.411 1.935 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001488780576 926688805 /nfs/dbraw/zinc/68/88/05/926688805.db2.gz RFIFHDJQXFPBBI-MCIONIFRSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001488780576 926688808 /nfs/dbraw/zinc/68/88/08/926688808.db2.gz RFIFHDJQXFPBBI-MCIONIFRSA-N 2 2 290.411 1.649 10 30 CDEELP C#CCC[N@H+](C)CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001490197557 927031107 /nfs/dbraw/zinc/03/11/07/927031107.db2.gz WZIKMYDDZFIYAL-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C#CCC[N@@H+](C)CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001490197557 927031115 /nfs/dbraw/zinc/03/11/15/927031115.db2.gz WZIKMYDDZFIYAL-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001276771659 941040764 /nfs/dbraw/zinc/04/07/64/941040764.db2.gz IUYKQZXFGOAALA-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001276981100 941770815 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10 30 CDEELP N#CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597122105 343458493 /nfs/dbraw/zinc/45/84/93/343458493.db2.gz VSHRXVQWOYEEAZ-UHFFFAOYSA-N 2 2 253.309 1.661 10 30 CDEELP N#Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccn1 ZINC000610992431 346569162 /nfs/dbraw/zinc/56/91/62/346569162.db2.gz DBDRDFSJBBFQRM-OAHLLOKOSA-N 2 2 267.336 1.987 10 30 CDEELP N#Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccn1 ZINC000610992431 346569167 /nfs/dbraw/zinc/56/91/67/346569167.db2.gz DBDRDFSJBBFQRM-OAHLLOKOSA-N 2 2 267.336 1.987 10 30 CDEELP C=CCCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000448389176 261138908 /nfs/dbraw/zinc/13/89/08/261138908.db2.gz REQSFXZOMXKUGL-UHFFFAOYSA-N 2 2 282.432 1.278 10 30 CDEELP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123239009 375828413 /nfs/dbraw/zinc/82/84/13/375828413.db2.gz XNAOAQHEVMSUIB-KGLIPLIRSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123239009 375828414 /nfs/dbraw/zinc/82/84/14/375828414.db2.gz XNAOAQHEVMSUIB-KGLIPLIRSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123239009 375828416 /nfs/dbraw/zinc/82/84/16/375828416.db2.gz XNAOAQHEVMSUIB-KGLIPLIRSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123239009 375828417 /nfs/dbraw/zinc/82/84/17/375828417.db2.gz XNAOAQHEVMSUIB-KGLIPLIRSA-N 2 2 280.416 1.163 10 30 CDEELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000328977722 391401539 /nfs/dbraw/zinc/40/15/39/391401539.db2.gz CBZSQMQBJDIAKG-UHFFFAOYSA-N 2 2 282.388 1.089 10 30 CDEELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000328977722 391401541 /nfs/dbraw/zinc/40/15/41/391401541.db2.gz CBZSQMQBJDIAKG-UHFFFAOYSA-N 2 2 282.388 1.089 10 30 CDEELP C#C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC001665360067 1172985581 /nfs/dbraw/zinc/98/55/81/1172985581.db2.gz YPABVYMXWGPCFH-LZWOXQAQSA-N 2 2 264.413 1.613 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000037229339 173049181 /nfs/dbraw/zinc/04/91/81/173049181.db2.gz NUMZJPFKOWMUIC-UHFFFAOYSA-N 3 2 263.429 1.550 10 30 CDEELP CCC[NH+]1CCN(CC[C@](C)(C#N)[NH2+]C(C)C)CC1 ZINC000045178755 175323968 /nfs/dbraw/zinc/32/39/68/175323968.db2.gz JZMKBBFPAJLREN-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CCN[C@@](C)(C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000045181004 175324746 /nfs/dbraw/zinc/32/47/46/175324746.db2.gz QGQDIATWXDQOOO-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP C=CCOc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415056413 263258582 /nfs/dbraw/zinc/25/85/82/263258582.db2.gz OIVHXUGPRRCMGF-ZDUSSCGKSA-N 2 2 250.342 1.003 10 30 CDEELP C=CCOc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415056413 263258583 /nfs/dbraw/zinc/25/85/83/263258583.db2.gz OIVHXUGPRRCMGF-ZDUSSCGKSA-N 2 2 250.342 1.003 10 30 CDEELP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001672339394 1173767050 /nfs/dbraw/zinc/76/70/50/1173767050.db2.gz VVLROTZFVXRBRA-GJZGRUSLSA-N 2 2 290.411 1.533 10 30 CDEELP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N[C@@H]1C[C@@H]1C ZINC000176385539 329174949 /nfs/dbraw/zinc/17/49/49/329174949.db2.gz AIVWYONCESFIGA-QWHCGFSZSA-N 2 2 282.432 1.061 10 30 CDEELP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N[C@@H]1C[C@@H]1C ZINC000176385539 329174951 /nfs/dbraw/zinc/17/49/51/329174951.db2.gz AIVWYONCESFIGA-QWHCGFSZSA-N 2 2 282.432 1.061 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717497107 1180711311 /nfs/dbraw/zinc/71/13/11/1180711311.db2.gz YHIGVAIQPQXDDT-LLVKDONJSA-N 2 2 264.373 1.273 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717497107 1180711314 /nfs/dbraw/zinc/71/13/14/1180711314.db2.gz YHIGVAIQPQXDDT-LLVKDONJSA-N 2 2 264.373 1.273 10 30 CDEELP CC(C)C[NH+]1CCN(CC[C@@](C)(C#N)[NH2+]C(C)C)CC1 ZINC000055081069 519726151 /nfs/dbraw/zinc/72/61/51/519726151.db2.gz UXBZIJKXARPLGD-INIZCTEOSA-N 2 2 280.460 1.930 10 30 CDEELP CCC[NH2+][C@H](C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062437498 520059137 /nfs/dbraw/zinc/05/91/37/520059137.db2.gz BBHHTKZMMQJAMT-AWEZNQCLSA-N 2 2 266.433 1.684 10 30 CDEELP C[N@H+](Cc1ccc(C#CCO)cc1)C1CC[NH+](C)CC1 ZINC000049616547 523206059 /nfs/dbraw/zinc/20/60/59/523206059.db2.gz BVPVIWNKZWEAKC-UHFFFAOYSA-N 2 2 272.392 1.556 10 30 CDEELP C[N@@H+](Cc1ccc(C#CCO)cc1)C1CC[NH+](C)CC1 ZINC000049616547 523206067 /nfs/dbraw/zinc/20/60/67/523206067.db2.gz BVPVIWNKZWEAKC-UHFFFAOYSA-N 2 2 272.392 1.556 10 30 CDEELP CC[C@H](C)[NH+]1CCN(CCC[C@](C)(C#N)[NH2+]C)CC1 ZINC000055070121 523952624 /nfs/dbraw/zinc/95/26/24/523952624.db2.gz CKRPEKIICXWLCB-LSDHHAIUSA-N 2 2 266.433 1.684 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000767120708 576162019 /nfs/dbraw/zinc/16/20/19/576162019.db2.gz VVKITHXJAHVYGP-LBPRGKRZSA-N 2 2 283.441 1.422 10 30 CDEELP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643469 613351310 /nfs/dbraw/zinc/35/13/10/613351310.db2.gz TVEDTTPGIMTWFV-ZFWWWQNUSA-N 2 2 290.411 1.365 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000927168428 622046665 /nfs/dbraw/zinc/04/66/65/622046665.db2.gz SJEBDAICZFZHDX-HZPDHXFCSA-N 2 2 299.422 1.972 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000927168428 622046668 /nfs/dbraw/zinc/04/66/68/622046668.db2.gz SJEBDAICZFZHDX-HZPDHXFCSA-N 2 2 299.422 1.972 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000901319392 624174924 /nfs/dbraw/zinc/17/49/24/624174924.db2.gz HDPDPQMQMHJCFD-UHFFFAOYSA-N 2 2 298.390 1.996 10 30 CDEELP C=C(C)C[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001266617839 1158697010 /nfs/dbraw/zinc/69/70/10/1158697010.db2.gz ZBMUGLZQUBINCG-UHFFFAOYSA-N 2 2 276.384 1.417 10 30 CDEELP C=C(C)C[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001266617839 1158697014 /nfs/dbraw/zinc/69/70/14/1158697014.db2.gz ZBMUGLZQUBINCG-UHFFFAOYSA-N 2 2 276.384 1.417 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691327525 1159019060 /nfs/dbraw/zinc/01/90/60/1159019060.db2.gz ULOHOEFWWAKBCR-UHFFFAOYSA-N 2 2 290.411 1.386 10 30 CDEELP C#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001269988469 1160081438 /nfs/dbraw/zinc/08/14/38/1160081438.db2.gz AXCOGEJECOSFLI-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568649589 1169413853 /nfs/dbraw/zinc/41/38/53/1169413853.db2.gz NWMCBRNLIRKTEK-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001569408698 1169865235 /nfs/dbraw/zinc/86/52/35/1169865235.db2.gz WLMHSSUHHLFTDK-UHFFFAOYSA-N 2 2 284.363 1.762 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001676375065 1174216371 /nfs/dbraw/zinc/21/63/71/1174216371.db2.gz DKVMLMYRJUWMGD-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001698605152 1175868736 /nfs/dbraw/zinc/86/87/36/1175868736.db2.gz PGGDVQPUPVYKOQ-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001699488132 1176441017 /nfs/dbraw/zinc/44/10/17/1176441017.db2.gz PFQZGACINZBEGY-UONOGXRCSA-N 2 2 288.395 1.158 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001699945465 1176691714 /nfs/dbraw/zinc/69/17/14/1176691714.db2.gz UMNVZDTWGMNJFT-ZIAGYGMSSA-N 2 2 298.390 1.961 10 30 CDEELP CC#CC[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713478197 1178595364 /nfs/dbraw/zinc/59/53/64/1178595364.db2.gz SHESJAVPAZHRBM-MRXNPFEDSA-N 2 2 287.407 1.361 10 30 CDEELP CC#CC[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001713478197 1178595371 /nfs/dbraw/zinc/59/53/71/1178595371.db2.gz SHESJAVPAZHRBM-MRXNPFEDSA-N 2 2 287.407 1.361 10 30 CDEELP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCn2cc[nH+]c2)C1 ZINC001713719291 1178720688 /nfs/dbraw/zinc/72/06/88/1178720688.db2.gz XOFWRKKMMVQUPC-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCn2cc[nH+]c2)C1 ZINC001713719291 1178720692 /nfs/dbraw/zinc/72/06/92/1178720692.db2.gz XOFWRKKMMVQUPC-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2)CC1 ZINC001713858880 1178794900 /nfs/dbraw/zinc/79/49/00/1178794900.db2.gz UZUFEKIWYZUIDJ-UHFFFAOYSA-N 2 2 288.395 1.219 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714050260 1178947035 /nfs/dbraw/zinc/94/70/35/1178947035.db2.gz OUHUPZUGIDJXTH-CQSZACIVSA-N 2 2 288.395 1.207 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714050260 1178947039 /nfs/dbraw/zinc/94/70/39/1178947039.db2.gz OUHUPZUGIDJXTH-CQSZACIVSA-N 2 2 288.395 1.207 10 30 CDEELP CC#CC[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714245763 1179043055 /nfs/dbraw/zinc/04/30/55/1179043055.db2.gz RALYDNPCKMLEEV-CABCVRRESA-N 2 2 290.411 1.588 10 30 CDEELP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001714770860 1179389004 /nfs/dbraw/zinc/38/90/04/1179389004.db2.gz FFTCBHQWVGQIMX-UHFFFAOYSA-N 2 2 297.362 1.072 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]ccc1OC ZINC001715339816 1179632952 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C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001332289662 957507511 /nfs/dbraw/zinc/50/75/11/957507511.db2.gz AXSUXXAFUICBEV-KGLIPLIRSA-N 2 2 276.384 1.334 10 30 CDEELP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001332330378 957520852 /nfs/dbraw/zinc/52/08/52/957520852.db2.gz TZFWTTGBIGIREL-UONOGXRCSA-N 2 2 288.395 1.158 10 30 CDEELP C#CC[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001318121820 957932823 /nfs/dbraw/zinc/93/28/23/957932823.db2.gz MBRJVAZTOLKYQO-ZDUSSCGKSA-N 2 2 288.395 1.078 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001318698450 958235593 /nfs/dbraw/zinc/23/55/93/958235593.db2.gz LCRAMUWVLASNOV-HNNXBMFYSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001318698450 958235608 /nfs/dbraw/zinc/23/56/08/958235608.db2.gz LCRAMUWVLASNOV-HNNXBMFYSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001318834503 958276206 /nfs/dbraw/zinc/27/62/06/958276206.db2.gz DNUVYFCSBJOFGY-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC(C)(C)CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336152113 960225701 /nfs/dbraw/zinc/22/57/01/960225701.db2.gz WTNRLBXTNQKYQX-UHFFFAOYSA-N 2 2 282.432 1.311 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001569429270 1169877839 /nfs/dbraw/zinc/87/78/39/1169877839.db2.gz DAESPCASTHIRSY-UHFFFAOYSA-N 2 2 276.384 1.167 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001480547409 970066353 /nfs/dbraw/zinc/06/63/53/970066353.db2.gz ZZQYMMBWLILUNN-OLZOCXBDSA-N 2 2 264.373 1.505 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001498503500 973953064 /nfs/dbraw/zinc/95/30/64/973953064.db2.gz LAEYIHQYWSAWMS-GJZGRUSLSA-N 2 2 288.395 1.171 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001498874104 974089945 /nfs/dbraw/zinc/08/99/45/974089945.db2.gz MDZIZINCKIFPBY-OAHLLOKOSA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001499758531 974299459 /nfs/dbraw/zinc/29/94/59/974299459.db2.gz FIKHSFRMSRIVBW-UHFFFAOYSA-N 2 2 290.411 1.690 10 30 CDEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001502807833 974788471 /nfs/dbraw/zinc/78/84/71/974788471.db2.gz RLONZQHTMOGKRA-UHFFFAOYSA-N 2 2 290.411 1.807 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001503001635 974807886 /nfs/dbraw/zinc/80/78/86/974807886.db2.gz IIBBWAUVDVIYGE-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001503001635 974807889 /nfs/dbraw/zinc/80/78/89/974807889.db2.gz IIBBWAUVDVIYGE-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377207092 974923834 /nfs/dbraw/zinc/92/38/34/974923834.db2.gz SCWVEIWCHUPYSS-UHFFFAOYSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377207092 974923835 /nfs/dbraw/zinc/92/38/35/974923835.db2.gz SCWVEIWCHUPYSS-UHFFFAOYSA-N 2 2 287.835 1.661 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001507334430 975421553 /nfs/dbraw/zinc/42/15/53/975421553.db2.gz IHRAYYGLCCOBKW-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001507420252 975462772 /nfs/dbraw/zinc/46/27/72/975462772.db2.gz DRBYLQXPAYJHMD-ZIAGYGMSSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001570208874 1170112534 /nfs/dbraw/zinc/11/25/34/1170112534.db2.gz VOMITBICAKDBNO-ZIAGYGMSSA-N 2 2 290.411 1.490 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001570208874 1170112538 /nfs/dbraw/zinc/11/25/38/1170112538.db2.gz VOMITBICAKDBNO-ZIAGYGMSSA-N 2 2 290.411 1.490 10 30 CDEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1)C(C)C ZINC001570780904 1170280032 /nfs/dbraw/zinc/28/00/32/1170280032.db2.gz FIUPJNKLUQJAOC-OAHLLOKOSA-N 2 2 292.427 1.922 10 30 CDEELP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001571320181 1170364371 /nfs/dbraw/zinc/36/43/71/1170364371.db2.gz VKJRFDPCPRRKKW-NSHDSACASA-N 2 2 284.791 1.579 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001571460103 1170438555 /nfs/dbraw/zinc/43/85/55/1170438555.db2.gz QLPBPJYOUUHMDI-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000594440921 342907444 /nfs/dbraw/zinc/90/74/44/342907444.db2.gz JIDKVYCNURCOFN-OLZOCXBDSA-N 2 2 289.383 1.527 10 30 CDEELP C=CCN1CC[C@H]([N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810495 365899587 /nfs/dbraw/zinc/89/95/87/365899587.db2.gz XNOWJLCIYGZCBM-XUXIUFHCSA-N 2 2 265.401 1.221 10 30 CDEELP C=CCN1CC[C@H]([N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810495 365899594 /nfs/dbraw/zinc/89/95/94/365899594.db2.gz XNOWJLCIYGZCBM-XUXIUFHCSA-N 2 2 265.401 1.221 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358117543 367444021 /nfs/dbraw/zinc/44/40/21/367444021.db2.gz LYNSGQXVZWNPLI-INIZCTEOSA-N 2 2 276.380 1.408 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358117543 367444025 /nfs/dbraw/zinc/44/40/25/367444025.db2.gz LYNSGQXVZWNPLI-INIZCTEOSA-N 2 2 276.380 1.408 10 30 CDEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248877740 373919815 /nfs/dbraw/zinc/91/98/15/373919815.db2.gz JUYLDNQVEOBGCP-RBSFLKMASA-N 2 2 265.401 1.769 10 30 CDEELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248877740 373919821 /nfs/dbraw/zinc/91/98/21/373919821.db2.gz JUYLDNQVEOBGCP-RBSFLKMASA-N 2 2 265.401 1.769 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123895844 375859109 /nfs/dbraw/zinc/85/91/09/375859109.db2.gz FJQCDUSKBUWLES-RBSFLKMASA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123895844 375859113 /nfs/dbraw/zinc/85/91/13/375859113.db2.gz FJQCDUSKBUWLES-RBSFLKMASA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123895844 375859119 /nfs/dbraw/zinc/85/91/19/375859119.db2.gz FJQCDUSKBUWLES-RBSFLKMASA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123895844 375859122 /nfs/dbraw/zinc/85/91/22/375859122.db2.gz FJQCDUSKBUWLES-RBSFLKMASA-N 2 2 294.443 1.409 10 30 CDEELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCSCC#N)CC2)CCO1 ZINC000074982098 376922387 /nfs/dbraw/zinc/92/23/87/376922387.db2.gz BPDKJZOAODPJOR-CQSZACIVSA-N 2 2 297.468 1.818 10 30 CDEELP C[C@@H]1C[N@H+](C2CC[NH+](CCCSCC#N)CC2)CCO1 ZINC000074982098 376922393 /nfs/dbraw/zinc/92/23/93/376922393.db2.gz BPDKJZOAODPJOR-CQSZACIVSA-N 2 2 297.468 1.818 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001662690280 1172581177 /nfs/dbraw/zinc/58/11/77/1172581177.db2.gz FDGUNDRVRRURPM-CABCVRRESA-N 2 2 290.411 1.848 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)nn1 ZINC000655939841 412953884 /nfs/dbraw/zinc/95/38/84/412953884.db2.gz LKHCAYRCPRZDKT-QWHCGFSZSA-N 2 2 263.389 1.271 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)nn1 ZINC000655939841 412953890 /nfs/dbraw/zinc/95/38/90/412953890.db2.gz LKHCAYRCPRZDKT-QWHCGFSZSA-N 2 2 263.389 1.271 10 30 CDEELP C#CC[N@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001663403655 1172688257 /nfs/dbraw/zinc/68/82/57/1172688257.db2.gz KPNSMFMBUJJGOS-UHFFFAOYSA-N 2 2 270.336 1.019 10 30 CDEELP C#CC[N@@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001663403655 1172688260 /nfs/dbraw/zinc/68/82/60/1172688260.db2.gz KPNSMFMBUJJGOS-UHFFFAOYSA-N 2 2 270.336 1.019 10 30 CDEELP Cc1cc(C[NH2+]CCc2cn(C)c[nH+]2)ccc1C#N ZINC000459653234 392496603 /nfs/dbraw/zinc/49/66/03/392496603.db2.gz DFUVTVQGZYOHRN-UHFFFAOYSA-N 2 2 254.337 1.933 10 30 CDEELP C=CC[C@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCC[NH2+]1 ZINC000662786800 413496362 /nfs/dbraw/zinc/49/63/62/413496362.db2.gz YGIKEMGXIARUOE-CQSZACIVSA-N 2 2 262.357 1.077 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001665738618 1173050462 /nfs/dbraw/zinc/05/04/62/1173050462.db2.gz WXVKCEUJVRSZPO-CYBMUJFWSA-N 2 2 276.384 1.369 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001665738618 1173050467 /nfs/dbraw/zinc/05/04/67/1173050467.db2.gz WXVKCEUJVRSZPO-CYBMUJFWSA-N 2 2 276.384 1.369 10 30 CDEELP CCN[C@@](C)(C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045177180 175323513 /nfs/dbraw/zinc/32/35/13/175323513.db2.gz VYCDUKCPYNTYTQ-AWEZNQCLSA-N 2 2 252.406 1.152 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307903 175356118 /nfs/dbraw/zinc/35/61/18/175356118.db2.gz KURVRCRDLAEPDA-HNNXBMFYSA-N 3 2 266.433 1.684 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307903 175356120 /nfs/dbraw/zinc/35/61/20/175356120.db2.gz KURVRCRDLAEPDA-HNNXBMFYSA-N 3 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(OC)CC1 ZINC000045310293 175356277 /nfs/dbraw/zinc/35/62/77/175356277.db2.gz PFIIDJJUNJLNJE-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@H+](CCOC)C1CC1 ZINC000045316728 175358464 /nfs/dbraw/zinc/35/84/64/175358464.db2.gz SHXQXYVFQUFFGK-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCOC)C1CC1 ZINC000045316728 175358465 /nfs/dbraw/zinc/35/84/65/175358465.db2.gz SHXQXYVFQUFFGK-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP C=CCCC[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001667656697 1173308154 /nfs/dbraw/zinc/30/81/54/1173308154.db2.gz GTNTXPMXDLNARJ-UHFFFAOYSA-N 2 2 278.400 1.617 10 30 CDEELP C=CCCC[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001667656697 1173308161 /nfs/dbraw/zinc/30/81/61/1173308161.db2.gz GTNTXPMXDLNARJ-UHFFFAOYSA-N 2 2 278.400 1.617 10 30 CDEELP Cn1c[nH+]c2ccc(NC3=[NH+]CCN3)c(Br)c21 ZINC000039351091 274900001 /nfs/dbraw/zinc/90/00/01/274900001.db2.gz XTZZNTGAKAHBHJ-UHFFFAOYSA-N 2 2 294.156 1.516 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001671374204 1173679368 /nfs/dbraw/zinc/67/93/68/1173679368.db2.gz YJGMAWSNDVMIAW-AWEZNQCLSA-N 2 2 290.411 1.807 10 30 CDEELP C=CCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421815623 330085928 /nfs/dbraw/zinc/08/59/28/330085928.db2.gz VEKSVPCRQOYKHA-UHFFFAOYSA-N 2 2 294.443 1.374 10 30 CDEELP C=CCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421815623 330085929 /nfs/dbraw/zinc/08/59/29/330085929.db2.gz VEKSVPCRQOYKHA-UHFFFAOYSA-N 2 2 294.443 1.374 10 30 CDEELP CC(C)(CCC#N)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423123019 330171314 /nfs/dbraw/zinc/17/13/14/330171314.db2.gz KRAFEARCZOMAKK-KBPBESRZSA-N 2 2 265.401 1.673 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000172339941 335101853 /nfs/dbraw/zinc/10/18/53/335101853.db2.gz SGBADOXKPTVFGT-UHFFFAOYSA-N 2 2 295.390 1.946 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267276558 1159227711 /nfs/dbraw/zinc/22/77/11/1159227711.db2.gz NXRHQRHFYZPUQA-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267276558 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CDEELP C=C(C)CC[NH2+]CCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC001320903093 959450701 /nfs/dbraw/zinc/45/07/01/959450701.db2.gz XUYGNYNUDUGSIK-UHFFFAOYSA-N 2 2 278.400 1.665 10 30 CDEELP C=CC[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001335623937 959938431 /nfs/dbraw/zinc/93/84/31/959938431.db2.gz YVLALPJSBYQAFZ-ZDUSSCGKSA-N 2 2 280.416 1.017 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001336784748 960585647 /nfs/dbraw/zinc/58/56/47/960585647.db2.gz VFHODKDXRFBRAE-KRWDZBQOSA-N 2 2 283.375 1.279 10 30 CDEELP C=CC[NH+]1CCC(C)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001324324213 961305842 /nfs/dbraw/zinc/30/58/42/961305842.db2.gz WMMZVVQHLZMSAF-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001339029693 962123267 /nfs/dbraw/zinc/12/32/67/962123267.db2.gz NCGLMBXIYMQMFY-IRXDYDNUSA-N 2 2 297.402 1.257 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001339029693 962123282 /nfs/dbraw/zinc/12/32/82/962123282.db2.gz NCGLMBXIYMQMFY-IRXDYDNUSA-N 2 2 297.402 1.257 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420220523 962599103 /nfs/dbraw/zinc/59/91/03/962599103.db2.gz ZIEYLLIFXNEEAH-CYBMUJFWSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420220523 962599117 /nfs/dbraw/zinc/59/91/17/962599117.db2.gz ZIEYLLIFXNEEAH-CYBMUJFWSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001454537690 968501808 /nfs/dbraw/zinc/50/18/08/968501808.db2.gz GDEGMMHPROBCNC-UHFFFAOYSA-N 2 2 274.368 1.056 10 30 CDEELP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650048 969530033 /nfs/dbraw/zinc/53/00/33/969530033.db2.gz GDMRQNOKWYAJBB-ZACQAIPSSA-N 2 2 285.391 1.618 10 30 CDEELP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650048 969530038 /nfs/dbraw/zinc/53/00/38/969530038.db2.gz GDMRQNOKWYAJBB-ZACQAIPSSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650048 969530041 /nfs/dbraw/zinc/53/00/41/969530041.db2.gz GDMRQNOKWYAJBB-ZACQAIPSSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650048 969530044 /nfs/dbraw/zinc/53/00/44/969530044.db2.gz GDMRQNOKWYAJBB-ZACQAIPSSA-N 2 2 285.391 1.618 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500552519 974448689 /nfs/dbraw/zinc/44/86/89/974448689.db2.gz GMJYCPQXUNXVHI-INIZCTEOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500552519 974448692 /nfs/dbraw/zinc/44/86/92/974448692.db2.gz GMJYCPQXUNXVHI-INIZCTEOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391567589 976966539 /nfs/dbraw/zinc/96/65/39/976966539.db2.gz IYOCVURAJNABBA-LBPRGKRZSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001391567589 976966549 /nfs/dbraw/zinc/96/65/49/976966549.db2.gz IYOCVURAJNABBA-LBPRGKRZSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391567589 976966558 /nfs/dbraw/zinc/96/65/58/976966558.db2.gz IYOCVURAJNABBA-LBPRGKRZSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391567589 976966564 /nfs/dbraw/zinc/96/65/64/976966564.db2.gz IYOCVURAJNABBA-LBPRGKRZSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001570366455 1170144734 /nfs/dbraw/zinc/14/47/34/1170144734.db2.gz XHVJLPGQYBFRQH-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=C(C)CC[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001570578287 1170194538 /nfs/dbraw/zinc/19/45/38/1170194538.db2.gz MSEJKJULOBKAIR-UHFFFAOYSA-N 2 2 290.411 1.711 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001571633467 1170503613 /nfs/dbraw/zinc/50/36/13/1170503613.db2.gz OURPWLSHUZGLTE-KBPBESRZSA-N 2 2 290.411 1.588 10 30 CDEELP C=CC[NH+]1CCC(Nc2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000596115587 343231283 /nfs/dbraw/zinc/23/12/83/343231283.db2.gz CLVZIHSKQSVGNG-UHFFFAOYSA-N 2 2 289.379 1.859 10 30 CDEELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598705425 343877215 /nfs/dbraw/zinc/87/72/15/343877215.db2.gz JIRXSAOEHAMTPM-QWHCGFSZSA-N 2 2 267.417 1.750 10 30 CDEELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598705425 343877217 /nfs/dbraw/zinc/87/72/17/343877217.db2.gz JIRXSAOEHAMTPM-QWHCGFSZSA-N 2 2 267.417 1.750 10 30 CDEELP CC#CCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727499 345781157 /nfs/dbraw/zinc/78/11/57/345781157.db2.gz SHJUHOWIQPRTMC-UHFFFAOYSA-N 2 2 250.386 1.587 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805954 365889685 /nfs/dbraw/zinc/88/96/85/365889685.db2.gz ADVFUCFQMWNHJV-KKUMJFAQSA-N 2 2 279.428 1.635 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805954 365889693 /nfs/dbraw/zinc/88/96/93/365889693.db2.gz ADVFUCFQMWNHJV-KKUMJFAQSA-N 2 2 279.428 1.635 10 30 CDEELP CN(CCC[N@H+](C)Cc1nc(C#N)cs1)CC[NH+](C)C ZINC000356317664 364661641 /nfs/dbraw/zinc/66/16/41/364661641.db2.gz KNHJIYALKHBZTA-UHFFFAOYSA-N 2 2 295.456 1.330 10 30 CDEELP CN(CCC[N@@H+](C)Cc1nc(C#N)cs1)CC[NH+](C)C ZINC000356317664 364661644 /nfs/dbraw/zinc/66/16/44/364661644.db2.gz KNHJIYALKHBZTA-UHFFFAOYSA-N 2 2 295.456 1.330 10 30 CDEELP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033713 374216975 /nfs/dbraw/zinc/21/69/75/374216975.db2.gz ZTKMRDVAKPMRGX-BBRMVZONSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033713 374216979 /nfs/dbraw/zinc/21/69/79/374216979.db2.gz ZTKMRDVAKPMRGX-BBRMVZONSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033713 374216982 /nfs/dbraw/zinc/21/69/82/374216982.db2.gz ZTKMRDVAKPMRGX-BBRMVZONSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033713 374216988 /nfs/dbraw/zinc/21/69/88/374216988.db2.gz ZTKMRDVAKPMRGX-BBRMVZONSA-N 2 2 297.406 1.978 10 30 CDEELP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000336793170 377496575 /nfs/dbraw/zinc/49/65/75/377496575.db2.gz VSFKPIJZFMRCND-CYBMUJFWSA-N 2 2 251.374 1.067 10 30 CDEELP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000336793170 377496578 /nfs/dbraw/zinc/49/65/78/377496578.db2.gz VSFKPIJZFMRCND-CYBMUJFWSA-N 2 2 251.374 1.067 10 30 CDEELP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000133073472 377827746 /nfs/dbraw/zinc/82/77/46/377827746.db2.gz KFZAOCUPJGAEEG-LSDHHAIUSA-N 2 2 263.385 1.983 10 30 CDEELP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000133073472 377827754 /nfs/dbraw/zinc/82/77/54/377827754.db2.gz KFZAOCUPJGAEEG-LSDHHAIUSA-N 2 2 263.385 1.983 10 30 CDEELP C=CC[NH+]1CCC(Nc2nc[nH+]c(C)c2OC)CC1 ZINC000656121154 413037014 /nfs/dbraw/zinc/03/70/14/413037014.db2.gz GVKRKHRALQSDIV-UHFFFAOYSA-N 2 2 262.357 1.856 10 30 CDEELP Cc1cc[nH+]cc1N1CC[NH+](CCOCCC#N)CC1 ZINC000339157206 391259489 /nfs/dbraw/zinc/25/94/89/391259489.db2.gz XKYOTBHKTIGAFJ-UHFFFAOYSA-N 2 2 274.368 1.442 10 30 CDEELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)cc1F ZINC000423547511 392964683 /nfs/dbraw/zinc/96/46/83/392964683.db2.gz DKKHRAWGCDTPFZ-ZYHUDNBSSA-N 2 2 263.316 1.336 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cncnc2OC)CC1 ZINC000647181255 398006001 /nfs/dbraw/zinc/00/60/01/398006001.db2.gz RXQQVGIVQQYMTJ-UHFFFAOYSA-N 2 2 276.384 1.615 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664813012 1172914291 /nfs/dbraw/zinc/91/42/91/1172914291.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664813012 1172914297 /nfs/dbraw/zinc/91/42/97/1172914297.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664813012 1172914308 /nfs/dbraw/zinc/91/43/08/1172914308.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664813012 1172914317 /nfs/dbraw/zinc/91/43/17/1172914317.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C=CCNC(=O)[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020361944 171160469 /nfs/dbraw/zinc/16/04/69/171160469.db2.gz KAMCYWJLKZIQFN-HNNXBMFYSA-N 2 2 289.423 1.789 10 30 CDEELP C=CCNC(=O)[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020361944 171160478 /nfs/dbraw/zinc/16/04/78/171160478.db2.gz KAMCYWJLKZIQFN-HNNXBMFYSA-N 2 2 289.423 1.789 10 30 CDEELP N#CCc1ccc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044530897 175195296 /nfs/dbraw/zinc/19/52/96/175195296.db2.gz YDYLQFJCIWYLIV-CQSZACIVSA-N 2 2 286.379 1.362 10 30 CDEELP N#CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044530897 175195297 /nfs/dbraw/zinc/19/52/97/175195297.db2.gz YDYLQFJCIWYLIV-CQSZACIVSA-N 2 2 286.379 1.362 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CCCC[C@](C)([NH3+])C#N)CC1 ZINC000045317170 175357836 /nfs/dbraw/zinc/35/78/36/175357836.db2.gz MDINZDJMNKEVCK-HNNXBMFYSA-N 3 2 266.433 1.814 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CCCC[C@](C)([NH3+])C#N)CC1 ZINC000045317170 175357837 /nfs/dbraw/zinc/35/78/37/175357837.db2.gz MDINZDJMNKEVCK-HNNXBMFYSA-N 3 2 266.433 1.814 10 30 CDEELP C=CCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000448392781 261140642 /nfs/dbraw/zinc/14/06/42/261140642.db2.gz ZHFQKTIINLMDCI-UHFFFAOYSA-N 2 2 296.459 1.620 10 30 CDEELP C=CCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448392781 261140643 /nfs/dbraw/zinc/14/06/43/261140643.db2.gz ZHFQKTIINLMDCI-UHFFFAOYSA-N 2 2 296.459 1.620 10 30 CDEELP Cc1nc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc[nH+]1 ZINC000294638159 263165423 /nfs/dbraw/zinc/16/54/23/263165423.db2.gz PTPLZRYSDSZWIT-KGLIPLIRSA-N 2 2 271.368 1.599 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001667003468 1173220708 /nfs/dbraw/zinc/22/07/08/1173220708.db2.gz WKZVGGVEDMKAQW-OLZOCXBDSA-N 2 2 264.373 1.457 10 30 CDEELP Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C#N)c[nH+]1 ZINC000399011693 323881249 /nfs/dbraw/zinc/88/12/49/323881249.db2.gz YFCNKKJTBWMAQV-UBHSHLNASA-N 2 2 256.353 1.825 10 30 CDEELP COCc1ccccc1NC(=[NH2+])NCc1c[nH+]cn1C ZINC000262400939 330008075 /nfs/dbraw/zinc/00/80/75/330008075.db2.gz UWMSENWQZPIAJF-UHFFFAOYSA-N 2 2 273.340 1.493 10 30 CDEELP C[C@@H]1CN(C(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000262425562 330009732 /nfs/dbraw/zinc/00/97/32/330009732.db2.gz CJEMYACVCDUMFL-VXGBXAGGSA-N 2 2 296.440 1.386 10 30 CDEELP CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000068613601 520102790 /nfs/dbraw/zinc/10/27/90/520102790.db2.gz BHWGIRXXGILOPU-ZBFHGGJFSA-N 2 2 278.444 1.827 10 30 CDEELP CC(C)C[NH+]1CCN(CC[C@](C)(C#N)[NH2+]C(C)C)CC1 ZINC000055081073 519726060 /nfs/dbraw/zinc/72/60/60/519726060.db2.gz UXBZIJKXARPLGD-MRXNPFEDSA-N 2 2 280.460 1.930 10 30 CDEELP CCCN(CC[NH+](C)C)C[C@@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069081374 521656426 /nfs/dbraw/zinc/65/64/26/521656426.db2.gz AHDKIKMUIVMSOU-MRXNPFEDSA-N 2 2 280.460 1.930 10 30 CDEELP C=C(C)C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001691756508 1174380813 /nfs/dbraw/zinc/38/08/13/1174380813.db2.gz KRMLJBKDKLTRRJ-UHFFFAOYSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001691756508 1174380816 /nfs/dbraw/zinc/38/08/16/1174380816.db2.gz KRMLJBKDKLTRRJ-UHFFFAOYSA-N 2 2 278.400 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001688891868 1175057203 /nfs/dbraw/zinc/05/72/03/1175057203.db2.gz YWANMSADHDLYDN-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001688891868 1175057209 /nfs/dbraw/zinc/05/72/09/1175057209.db2.gz YWANMSADHDLYDN-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001688895182 1175057819 /nfs/dbraw/zinc/05/78/19/1175057819.db2.gz BPJWZHQHBBEKRS-CYBMUJFWSA-N 2 2 276.384 1.369 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001688895182 1175057825 /nfs/dbraw/zinc/05/78/25/1175057825.db2.gz BPJWZHQHBBEKRS-CYBMUJFWSA-N 2 2 276.384 1.369 10 30 CDEELP Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC000925836839 617867198 /nfs/dbraw/zinc/86/71/98/617867198.db2.gz DTQCKGNJRPSUCW-DLBZAZTESA-N 2 2 285.391 1.723 10 30 CDEELP C#CCC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001691228273 1158967103 /nfs/dbraw/zinc/96/71/03/1158967103.db2.gz RPKSWNNAIPLNKW-CQSZACIVSA-N 2 2 288.395 1.438 10 30 CDEELP C#CCC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001691228273 1158967107 /nfs/dbraw/zinc/96/71/07/1158967107.db2.gz RPKSWNNAIPLNKW-CQSZACIVSA-N 2 2 288.395 1.438 10 30 CDEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001691263145 1158984206 /nfs/dbraw/zinc/98/42/06/1158984206.db2.gz GHOOZXZJQKBQTE-UONOGXRCSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001671188050 1166928077 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284.791 1.681 10 30 CDEELP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CC)CC1 ZINC001500058175 974365216 /nfs/dbraw/zinc/36/52/16/974365216.db2.gz UUAYFOMFLCCVAM-UHFFFAOYSA-N 2 2 288.395 1.207 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001500105633 974374714 /nfs/dbraw/zinc/37/47/14/974374714.db2.gz OSJZCOOMHUYSSV-OAHLLOKOSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502126138 974700523 /nfs/dbraw/zinc/70/05/23/974700523.db2.gz RDBIWUXQRNBFHQ-CQSZACIVSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502126138 974700525 /nfs/dbraw/zinc/70/05/25/974700525.db2.gz RDBIWUXQRNBFHQ-CQSZACIVSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502126138 974700528 /nfs/dbraw/zinc/70/05/28/974700528.db2.gz RDBIWUXQRNBFHQ-CQSZACIVSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502126138 974700531 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290.411 1.888 10 30 CDEELP C#CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)CC1CC1 ZINC001652933099 1171490333 /nfs/dbraw/zinc/49/03/33/1171490333.db2.gz WZXZCWVXVHMXAH-GOSISDBHSA-N 2 2 286.419 1.825 10 30 CDEELP C#CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)CC1CC1 ZINC001652933099 1171490346 /nfs/dbraw/zinc/49/03/46/1171490346.db2.gz WZXZCWVXVHMXAH-GOSISDBHSA-N 2 2 286.419 1.825 10 30 CDEELP C#CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)CC1CC1 ZINC001652933099 1171490355 /nfs/dbraw/zinc/49/03/55/1171490355.db2.gz WZXZCWVXVHMXAH-GOSISDBHSA-N 2 2 286.419 1.825 10 30 CDEELP Cc1ccc2[nH+]c(CNC(=O)[C@H]([NH3+])CCCCC#N)cn2c1 ZINC000594440561 342906995 /nfs/dbraw/zinc/90/69/95/342906995.db2.gz FISHAJOZAYTKJG-CQSZACIVSA-N 2 2 299.378 1.670 10 30 CDEELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000595907475 343188974 /nfs/dbraw/zinc/18/89/74/343188974.db2.gz VGLVEZBVODACHS-INIZCTEOSA-N 2 2 288.395 1.496 10 30 CDEELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000595907475 343188976 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Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)CCC2 ZINC000328653035 375909888 /nfs/dbraw/zinc/90/98/88/375909888.db2.gz KUVJGEUZQJOVIG-QWHCGFSZSA-N 2 2 292.383 1.356 10 30 CDEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC000328653035 375909893 /nfs/dbraw/zinc/90/98/93/375909893.db2.gz KUVJGEUZQJOVIG-QWHCGFSZSA-N 2 2 292.383 1.356 10 30 CDEELP C#CCC[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001662219754 1172511952 /nfs/dbraw/zinc/51/19/52/1172511952.db2.gz OESIQXAIZLKACA-GFCCVEGCSA-N 2 2 284.363 1.374 10 30 CDEELP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1C#N ZINC000423126629 392958711 /nfs/dbraw/zinc/95/87/11/392958711.db2.gz SAMJOEFRFNAGHD-FZMZJTMJSA-N 2 2 259.353 1.797 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664716372 1172899260 /nfs/dbraw/zinc/89/92/60/1172899260.db2.gz BXVMINMKHBJEBF-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664716372 1172899266 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CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CCOCC1 ZINC000045311811 175356333 /nfs/dbraw/zinc/35/63/33/175356333.db2.gz QBAHAVCNEQFWTE-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CCOCC1 ZINC000045311811 175356334 /nfs/dbraw/zinc/35/63/34/175356334.db2.gz QBAHAVCNEQFWTE-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP [NH2+]=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC1CC1 ZINC000188136422 260073476 /nfs/dbraw/zinc/07/34/76/260073476.db2.gz VLVNUQQBTIZBSD-UHFFFAOYSA-N 2 2 292.814 1.765 10 30 CDEELP [NH2+]=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC1CC1 ZINC000188136422 260073478 /nfs/dbraw/zinc/07/34/78/260073478.db2.gz VLVNUQQBTIZBSD-UHFFFAOYSA-N 2 2 292.814 1.765 10 30 CDEELP C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373355535 267668198 /nfs/dbraw/zinc/66/81/98/267668198.db2.gz VPKOQXXSWJEXIF-CABCVRRESA-N 2 2 293.455 1.873 10 30 CDEELP C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373355535 267668200 /nfs/dbraw/zinc/66/82/00/267668200.db2.gz 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ZINC001691061510 1158863552 /nfs/dbraw/zinc/86/35/52/1158863552.db2.gz HMRUVMMFQKYQLA-CABCVRRESA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[NH+]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001642868856 1167207675 /nfs/dbraw/zinc/20/76/75/1167207675.db2.gz XQXPLIOEIQUSSO-UHFFFAOYSA-N 2 2 290.411 1.647 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568632549 1169407641 /nfs/dbraw/zinc/40/76/41/1169407641.db2.gz NDLXJBULMLBFEC-CYBMUJFWSA-N 2 2 298.390 1.764 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571480556 1170448064 /nfs/dbraw/zinc/44/80/64/1170448064.db2.gz FIWZMYMYNPRGKF-OCCSQVGLSA-N 2 2 296.374 1.779 10 30 CDEELP C#CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC1CC1 ZINC001652933099 1171490327 /nfs/dbraw/zinc/49/03/27/1171490327.db2.gz WZXZCWVXVHMXAH-GOSISDBHSA-N 2 2 286.419 1.825 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001662261172 1172518548 /nfs/dbraw/zinc/51/85/48/1172518548.db2.gz BTOOMBWERNMFGP-KBPBESRZSA-N 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/nfs/dbraw/zinc/90/14/99/1175901499.db2.gz USGIKTRNSDVLNO-MGPQQGTHSA-N 2 2 288.395 1.239 10 30 CDEELP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001698712443 1175901504 /nfs/dbraw/zinc/90/15/04/1175901504.db2.gz USGIKTRNSDVLNO-MGPQQGTHSA-N 2 2 288.395 1.239 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001699736987 1176597695 /nfs/dbraw/zinc/59/76/95/1176597695.db2.gz KIZAHNOCKHXJQT-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001700069428 1176738835 /nfs/dbraw/zinc/73/88/35/1176738835.db2.gz UUJDBWHTDUJBBV-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001713029527 1178314699 /nfs/dbraw/zinc/31/46/99/1178314699.db2.gz ZTAFGEDEFDEWSK-UHFFFAOYSA-N 2 2 298.818 1.841 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001713029527 1178314709 /nfs/dbraw/zinc/31/47/09/1178314709.db2.gz ZTAFGEDEFDEWSK-UHFFFAOYSA-N 2 2 298.818 1.841 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001713879289 1178810926 /nfs/dbraw/zinc/81/09/26/1178810926.db2.gz PQHGLXCIFIZGKG-WFASDCNBSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001713879289 1178810935 /nfs/dbraw/zinc/81/09/35/1178810935.db2.gz PQHGLXCIFIZGKG-WFASDCNBSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001714145617 1178991675 /nfs/dbraw/zinc/99/16/75/1178991675.db2.gz MQQGMKYNNOTVGR-CYBMUJFWSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC001714145617 1178991681 /nfs/dbraw/zinc/99/16/81/1178991681.db2.gz MQQGMKYNNOTVGR-CYBMUJFWSA-N 2 2 290.411 1.793 10 30 CDEELP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714245764 1179042526 /nfs/dbraw/zinc/04/25/26/1179042526.db2.gz RALYDNPCKMLEEV-GJZGRUSLSA-N 2 2 290.411 1.588 10 30 CDEELP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001714653833 1179301020 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CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001717284135 1180603003 /nfs/dbraw/zinc/60/30/03/1180603003.db2.gz QQAHLOTTXPUOGV-UONOGXRCSA-N 2 2 296.374 1.408 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001717333883 1180620240 /nfs/dbraw/zinc/62/02/40/1180620240.db2.gz NJQDFXOYILYHGR-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001717333883 1180620244 /nfs/dbraw/zinc/62/02/44/1180620244.db2.gz NJQDFXOYILYHGR-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001717649402 1180773167 /nfs/dbraw/zinc/77/31/67/1180773167.db2.gz JYBDDAIYKAADND-KKUMJFAQSA-N 2 2 288.395 1.342 10 30 CDEELP C#CC[N@@H+](C)CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC001717952855 1180945664 /nfs/dbraw/zinc/94/56/64/1180945664.db2.gz QHHIANPYLBNHHX-UHFFFAOYSA-N 2 2 290.411 1.465 10 30 CDEELP C#CC[N@H+](C)CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC001717952855 1180945672 /nfs/dbraw/zinc/94/56/72/1180945672.db2.gz QHHIANPYLBNHHX-UHFFFAOYSA-N 2 2 290.411 1.465 10 30 CDEELP C=CC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001717985296 1180957172 /nfs/dbraw/zinc/95/71/72/1180957172.db2.gz FIVJNUVBQSXQHP-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001725269427 1181946644 /nfs/dbraw/zinc/94/66/44/1181946644.db2.gz XAECRORJLRALFD-LBPRGKRZSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001725408284 1181991160 /nfs/dbraw/zinc/99/11/60/1181991160.db2.gz JKHXJEOOLYFOSJ-GFCCVEGCSA-N 2 2 298.818 1.590 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001731634897 1182493541 /nfs/dbraw/zinc/49/35/41/1182493541.db2.gz SAHUKIITNSGNDV-RYUDHWBXSA-N 2 2 278.400 1.710 10 30 CDEELP C#CCC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001732004488 1182722913 /nfs/dbraw/zinc/72/29/13/1182722913.db2.gz SBGDYJLXKTVRGN-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001733429949 1183431213 /nfs/dbraw/zinc/43/12/13/1183431213.db2.gz RBXPPIHLLZYFSS-KRWDZBQOSA-N 2 2 298.390 1.962 10 30 CDEELP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001733938509 1183575834 /nfs/dbraw/zinc/57/58/34/1183575834.db2.gz IDHWTCHOPZCTHT-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001733938509 1183575837 /nfs/dbraw/zinc/57/58/37/1183575837.db2.gz IDHWTCHOPZCTHT-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001734119680 1183666119 /nfs/dbraw/zinc/66/61/19/1183666119.db2.gz QRRAHAXDLKKTAZ-CYBMUJFWSA-N 2 2 290.411 1.365 10 30 CDEELP C#CC[C@H](COC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000863589687 792037077 /nfs/dbraw/zinc/03/70/77/792037077.db2.gz VAJNWGPNDIXIHL-IAGOWNOFSA-N 2 2 290.407 1.107 10 30 CDEELP C#CC[C@H](COC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000863589687 792037090 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269.433 1.588 10 30 CDEELP C=CC(C)(C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000880669692 793191619 /nfs/dbraw/zinc/19/16/19/793191619.db2.gz HJRJWTYQBAVQIA-UHFFFAOYSA-N 2 2 269.433 1.588 10 30 CDEELP C=CCC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926546328 794288772 /nfs/dbraw/zinc/28/87/72/794288772.db2.gz QSYBCIMRXYZFAE-RBSFLKMASA-N 2 2 252.402 1.920 10 30 CDEELP C=CCC[C@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926546328 794288782 /nfs/dbraw/zinc/28/87/82/794288782.db2.gz QSYBCIMRXYZFAE-RBSFLKMASA-N 2 2 252.402 1.920 10 30 CDEELP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266399028 894699631 /nfs/dbraw/zinc/69/96/31/894699631.db2.gz HWRULVAIQHEQBM-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266399028 894699636 /nfs/dbraw/zinc/69/96/36/894699636.db2.gz HWRULVAIQHEQBM-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001266473823 895013971 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C=CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267250381 897337787 /nfs/dbraw/zinc/33/77/87/897337787.db2.gz MUTXUBAAADHAIG-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267250381 897337798 /nfs/dbraw/zinc/33/77/98/897337798.db2.gz MUTXUBAAADHAIG-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP CC#CC[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267390249 897847531 /nfs/dbraw/zinc/84/75/31/897847531.db2.gz GSXNITOVFNWUHA-UHFFFAOYSA-N 2 2 270.336 1.248 10 30 CDEELP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267493712 898149624 /nfs/dbraw/zinc/14/96/24/898149624.db2.gz UJUNKQBJDICWSM-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]C[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267992274 900216188 /nfs/dbraw/zinc/21/61/88/900216188.db2.gz TWRNYMDBRGNYRP-NSHDSACASA-N 2 2 272.352 1.704 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268007678 900268321 /nfs/dbraw/zinc/26/83/21/900268321.db2.gz 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C=C(C)C[NH+]1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001270248958 904476474 /nfs/dbraw/zinc/47/64/74/904476474.db2.gz MTYKDORCKJVCMU-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)C[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001567842951 1169012188 /nfs/dbraw/zinc/01/21/88/1169012188.db2.gz VJLLIIPIXHGCHF-ZDUSSCGKSA-N 2 2 276.384 1.458 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001482538294 906954999 /nfs/dbraw/zinc/95/49/99/906954999.db2.gz KKOMRRNWNRBZHC-ZFWWWQNUSA-N 2 2 290.411 1.362 10 30 CDEELP C=CCC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001273789385 925885135 /nfs/dbraw/zinc/88/51/35/925885135.db2.gz HFILVQFILDWWCZ-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001568541763 1169355147 /nfs/dbraw/zinc/35/51/47/1169355147.db2.gz JCFTWIQQVJRFED-UKRRQHHQSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001274803840 931580235 /nfs/dbraw/zinc/58/02/35/931580235.db2.gz MQVKALLDMALIQE-GFCCVEGCSA-N 2 2 278.400 1.597 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001275001789 931631533 /nfs/dbraw/zinc/63/15/33/931631533.db2.gz RMTNHJNKWCYUEK-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001275423738 931784654 /nfs/dbraw/zinc/78/46/54/931784654.db2.gz JIFWIOVWLUAHHB-RYUDHWBXSA-N 2 2 277.368 1.302 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)CCc1[nH+]ccn1C ZINC001568553851 1169366337 /nfs/dbraw/zinc/36/63/37/1169366337.db2.gz BMOVQWYAVADEJU-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)CCc1[nH+]ccn1C ZINC001568553851 1169366340 /nfs/dbraw/zinc/36/63/40/1169366340.db2.gz BMOVQWYAVADEJU-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001276231316 932666278 /nfs/dbraw/zinc/66/62/78/932666278.db2.gz LCXXZYFJPNKCBU-UHFFFAOYSA-N 2 2 276.384 1.547 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001273445020 932826974 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C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001282220002 942679817 /nfs/dbraw/zinc/67/98/17/942679817.db2.gz NLNSVVQIJRZWRJ-CHWSQXEVSA-N 2 2 278.400 1.412 10 30 CDEELP C#CCC[NH+]1CC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001282741074 942748055 /nfs/dbraw/zinc/74/80/55/942748055.db2.gz QHLFQVQMJDFBCK-KBPBESRZSA-N 2 2 288.395 1.294 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283629361 942952677 /nfs/dbraw/zinc/95/26/77/942952677.db2.gz IHEGLTQOFGJPOH-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C#CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284055367 943066986 /nfs/dbraw/zinc/06/69/86/943066986.db2.gz ATLBJPDNGZEWBY-GOEBONIOSA-N 2 2 286.379 1.020 10 30 CDEELP C#CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001284055367 943066991 /nfs/dbraw/zinc/06/69/91/943066991.db2.gz ATLBJPDNGZEWBY-GOEBONIOSA-N 2 2 286.379 1.020 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001284632069 943228830 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C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001479470308 971329617 /nfs/dbraw/zinc/32/96/17/971329617.db2.gz MTAPHJGQYJUWHH-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720340 971384926 /nfs/dbraw/zinc/38/49/26/971384926.db2.gz OWODOGKLUJJVTI-KFWWJZLASA-N 2 2 290.411 1.989 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720340 971384933 /nfs/dbraw/zinc/38/49/33/971384933.db2.gz OWODOGKLUJJVTI-KFWWJZLASA-N 2 2 290.411 1.989 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001279031040 948617510 /nfs/dbraw/zinc/61/75/10/948617510.db2.gz NZFYKEFMWIXZSH-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP CC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480487848 971751913 /nfs/dbraw/zinc/75/19/13/971751913.db2.gz ZDIHXSXAMZVQSW-GFCCVEGCSA-N 2 2 276.384 1.044 10 30 CDEELP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001327157416 954740724 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10 30 CDEELP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329955142 956200299 /nfs/dbraw/zinc/20/02/99/956200299.db2.gz YRXXRSADKGBRTC-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329955142 956200310 /nfs/dbraw/zinc/20/03/10/956200310.db2.gz YRXXRSADKGBRTC-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317482586 957504710 /nfs/dbraw/zinc/50/47/10/957504710.db2.gz UPYOBGQIGAURKC-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317482586 957504712 /nfs/dbraw/zinc/50/47/12/957504712.db2.gz UPYOBGQIGAURKC-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001318543645 958166275 /nfs/dbraw/zinc/16/62/75/958166275.db2.gz YVQSHUWPWDJCQG-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH2+][C@@H](CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001318548982 958166296 /nfs/dbraw/zinc/16/62/96/958166296.db2.gz QZXJHCCUKNQGAG-ZDUSSCGKSA-N 2 2 284.363 1.456 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001319115117 958381361 /nfs/dbraw/zinc/38/13/61/958381361.db2.gz AVYZQZHVBOOIQM-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001319115117 958381375 /nfs/dbraw/zinc/38/13/75/958381375.db2.gz AVYZQZHVBOOIQM-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319113997 958382471 /nfs/dbraw/zinc/38/24/71/958382471.db2.gz RGSYUARSNLVPBC-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001319865452 958759447 /nfs/dbraw/zinc/75/94/47/958759447.db2.gz ULCNORGZDZVQRB-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001320068296 958916767 /nfs/dbraw/zinc/91/67/67/958916767.db2.gz YRTYFBOROAGGPR-ZDUSSCGKSA-N 2 2 278.400 1.697 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001320068296 958916777 /nfs/dbraw/zinc/91/67/77/958916777.db2.gz YRTYFBOROAGGPR-ZDUSSCGKSA-N 2 2 278.400 1.697 10 30 CDEELP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368644866 959011344 /nfs/dbraw/zinc/01/13/44/959011344.db2.gz UWKAZVGYOHYNML-QWHCGFSZSA-N 2 2 296.802 1.510 10 30 CDEELP C=CCC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC001560199756 960880454 /nfs/dbraw/zinc/88/04/54/960880454.db2.gz CJVHDULNDPCHFX-CABCVRRESA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC001560199756 960880472 /nfs/dbraw/zinc/88/04/72/960880472.db2.gz CJVHDULNDPCHFX-CABCVRRESA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC001560199756 960880484 /nfs/dbraw/zinc/88/04/84/960880484.db2.gz CJVHDULNDPCHFX-CABCVRRESA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC001560199756 960880495 /nfs/dbraw/zinc/88/04/95/960880495.db2.gz CJVHDULNDPCHFX-CABCVRRESA-N 2 2 270.417 1.356 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001569373359 1169818623 /nfs/dbraw/zinc/81/86/23/1169818623.db2.gz CLZOLAQHJZKTJK-CZUORRHYSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001569373359 1169818633 /nfs/dbraw/zinc/81/86/33/1169818633.db2.gz CLZOLAQHJZKTJK-CZUORRHYSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001569373359 1169818644 /nfs/dbraw/zinc/81/86/44/1169818644.db2.gz CLZOLAQHJZKTJK-CZUORRHYSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001569373359 1169818654 /nfs/dbraw/zinc/81/86/54/1169818654.db2.gz CLZOLAQHJZKTJK-CZUORRHYSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001569386945 1169841020 /nfs/dbraw/zinc/84/10/20/1169841020.db2.gz YKRWPQHJFFYOIP-HOTGVXAUSA-N 2 2 291.439 1.321 10 30 CDEELP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001569386945 1169841025 /nfs/dbraw/zinc/84/10/25/1169841025.db2.gz YKRWPQHJFFYOIP-HOTGVXAUSA-N 2 2 291.439 1.321 10 30 CDEELP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC001348271561 965905615 /nfs/dbraw/zinc/90/56/15/965905615.db2.gz PCAYBGJBUZTHKI-MELADBBJSA-N 2 2 250.386 1.630 10 30 CDEELP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC001348271561 965905626 /nfs/dbraw/zinc/90/56/26/965905626.db2.gz PCAYBGJBUZTHKI-MELADBBJSA-N 2 2 250.386 1.630 10 30 CDEELP C=C(Cl)C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001447795809 966879088 /nfs/dbraw/zinc/87/90/88/966879088.db2.gz BTARIQFCHLIYFU-UHFFFAOYSA-N 2 2 296.802 1.579 10 30 CDEELP C=C(Cl)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001447795809 966879093 /nfs/dbraw/zinc/87/90/93/966879093.db2.gz BTARIQFCHLIYFU-UHFFFAOYSA-N 2 2 296.802 1.579 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001569548715 1169920109 /nfs/dbraw/zinc/92/01/09/1169920109.db2.gz BQUXRHOHLJFAFS-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001467727968 970095060 /nfs/dbraw/zinc/09/50/60/970095060.db2.gz YBAYLTIOSYRVPO-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001467727968 970095065 /nfs/dbraw/zinc/09/50/65/970095065.db2.gz YBAYLTIOSYRVPO-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001496091134 972790044 /nfs/dbraw/zinc/79/00/44/972790044.db2.gz ATRSFUPLEACHCH-CHWSQXEVSA-N 2 2 276.384 1.068 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001496900421 973137793 /nfs/dbraw/zinc/13/77/93/973137793.db2.gz YTNGOZBTTIQEEO-GJZGRUSLSA-N 2 2 288.395 1.171 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCCC ZINC001498998674 974155870 /nfs/dbraw/zinc/15/58/70/974155870.db2.gz QIGKFKIWDDVHDC-CVEARBPZSA-N 2 2 291.439 1.465 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCC ZINC001498998674 974155885 /nfs/dbraw/zinc/15/58/85/974155885.db2.gz QIGKFKIWDDVHDC-CVEARBPZSA-N 2 2 291.439 1.465 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCC ZINC001498998674 974155889 /nfs/dbraw/zinc/15/58/89/974155889.db2.gz QIGKFKIWDDVHDC-CVEARBPZSA-N 2 2 291.439 1.465 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505722147 974974026 /nfs/dbraw/zinc/97/40/26/974974026.db2.gz YZQZDTHSRUMDLA-VXGBXAGGSA-N 2 2 264.373 1.401 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001391072461 976671894 /nfs/dbraw/zinc/67/18/94/976671894.db2.gz CLMKCXSUAKCRHE-CYBMUJFWSA-N 2 2 285.819 1.415 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001391072461 976671899 /nfs/dbraw/zinc/67/18/99/976671899.db2.gz CLMKCXSUAKCRHE-CYBMUJFWSA-N 2 2 285.819 1.415 10 30 CDEELP C#CC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001675197613 1174082148 /nfs/dbraw/zinc/08/21/48/1174082148.db2.gz REQPBDPIOVDFTR-UHFFFAOYSA-N 2 2 288.395 1.315 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001676734325 1174264210 /nfs/dbraw/zinc/26/42/10/1174264210.db2.gz CKZZNWBQZMPYOW-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001676734325 1174264217 /nfs/dbraw/zinc/26/42/17/1174264217.db2.gz CKZZNWBQZMPYOW-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001677301787 1174346546 /nfs/dbraw/zinc/34/65/46/1174346546.db2.gz JWSOYFPMUXPUNB-ZDUSSCGKSA-N 2 2 278.400 1.567 10 30 CDEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001571320031 1170364599 /nfs/dbraw/zinc/36/45/99/1170364599.db2.gz QSWKAOWVKNBMTP-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001571519561 1170462394 /nfs/dbraw/zinc/46/23/94/1170462394.db2.gz UCNYGVNYZUWHML-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001571519561 1170462399 /nfs/dbraw/zinc/46/23/99/1170462399.db2.gz UCNYGVNYZUWHML-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001571519561 1170462401 /nfs/dbraw/zinc/46/24/01/1170462401.db2.gz UCNYGVNYZUWHML-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001571519561 1170462404 /nfs/dbraw/zinc/46/24/04/1170462404.db2.gz UCNYGVNYZUWHML-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600713893 342244041 /nfs/dbraw/zinc/24/40/41/342244041.db2.gz FXFVPTPAWBZWHG-AWEZNQCLSA-N 2 2 298.390 1.989 10 30 CDEELP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)C#N ZINC000595820632 343166232 /nfs/dbraw/zinc/16/62/32/343166232.db2.gz OCWFXXFLVJHGBX-OAHLLOKOSA-N 2 2 266.433 1.636 10 30 CDEELP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)C#N ZINC000595820632 343166233 /nfs/dbraw/zinc/16/62/33/343166233.db2.gz OCWFXXFLVJHGBX-OAHLLOKOSA-N 2 2 266.433 1.636 10 30 CDEELP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1C#N ZINC000595862370 343174466 /nfs/dbraw/zinc/17/44/66/343174466.db2.gz AZCUQQNSTYWTNN-SFHVURJKSA-N 2 2 299.418 1.898 10 30 CDEELP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1C#N ZINC000595862370 343174467 /nfs/dbraw/zinc/17/44/67/343174467.db2.gz AZCUQQNSTYWTNN-SFHVURJKSA-N 2 2 299.418 1.898 10 30 CDEELP CC1([NH+]2CCOCC2)CC[NH+](CCCC#N)CC1 ZINC000528729776 367950071 /nfs/dbraw/zinc/95/00/71/367950071.db2.gz JLDLYOBVUUPMDU-UHFFFAOYSA-N 2 2 251.374 1.477 10 30 CDEELP C[NH+](C)CCOC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356235734 373834825 /nfs/dbraw/zinc/83/48/25/373834825.db2.gz XADSEINPZDXFIF-UHFFFAOYSA-N 2 2 294.424 1.557 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)nn1 ZINC000655939704 412953358 /nfs/dbraw/zinc/95/33/58/412953358.db2.gz UAQNCCHWCHOESN-JSGCOSHPSA-N 2 2 263.389 1.413 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)nn1 ZINC000655939704 412953365 /nfs/dbraw/zinc/95/33/65/412953365.db2.gz UAQNCCHWCHOESN-JSGCOSHPSA-N 2 2 263.389 1.413 10 30 CDEELP C=CC[C@H](C(=O)OC)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620678759 1172605849 /nfs/dbraw/zinc/60/58/49/1172605849.db2.gz IJNWKLIBAOVLRD-CYBMUJFWSA-N 2 2 277.368 1.717 10 30 CDEELP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000305804652 149166956 /nfs/dbraw/zinc/16/69/56/149166956.db2.gz FWUGMXFGBRNYAQ-CMPLNLGQSA-N 2 2 265.332 1.270 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001664759890 1172904749 /nfs/dbraw/zinc/90/47/49/1172904749.db2.gz HALNPBJYIYKJKP-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001664759890 1172904754 /nfs/dbraw/zinc/90/47/54/1172904754.db2.gz HALNPBJYIYKJKP-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP [NH3+]CC#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000043427220 175040667 /nfs/dbraw/zinc/04/06/67/175040667.db2.gz IKPVTURMWJLUNF-DLBZAZTESA-N 2 2 288.366 1.889 10 30 CDEELP [NH3+]CC#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000043427220 175040669 /nfs/dbraw/zinc/04/06/69/175040669.db2.gz IKPVTURMWJLUNF-DLBZAZTESA-N 2 2 288.366 1.889 10 30 CDEELP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529984 175195084 /nfs/dbraw/zinc/19/50/84/175195084.db2.gz ZPBZRVQJQXIHBM-ZDUSSCGKSA-N 2 2 272.352 1.167 10 30 CDEELP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529984 175195085 /nfs/dbraw/zinc/19/50/85/175195085.db2.gz ZPBZRVQJQXIHBM-ZDUSSCGKSA-N 2 2 272.352 1.167 10 30 CDEELP CC(C)N[C@](C)(C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045177186 175323608 /nfs/dbraw/zinc/32/36/08/175323608.db2.gz GGFAYEQFJQZQRB-OAHLLOKOSA-N 2 2 266.433 1.540 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C1CCOCC1 ZINC000045311837 175356236 /nfs/dbraw/zinc/35/62/36/175356236.db2.gz OJWYVEIPVZORMW-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C1CCOCC1 ZINC000045311837 175356238 /nfs/dbraw/zinc/35/62/38/175356238.db2.gz OJWYVEIPVZORMW-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190769 176068870 /nfs/dbraw/zinc/06/88/70/176068870.db2.gz GBWLVBXAIYLVEE-HOTGVXAUSA-N 3 2 280.460 1.930 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190769 176068871 /nfs/dbraw/zinc/06/88/71/176068871.db2.gz GBWLVBXAIYLVEE-HOTGVXAUSA-N 3 2 280.460 1.930 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190769 176068873 /nfs/dbraw/zinc/06/88/73/176068873.db2.gz GBWLVBXAIYLVEE-HOTGVXAUSA-N 3 2 280.460 1.930 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190769 176068875 /nfs/dbraw/zinc/06/88/75/176068875.db2.gz GBWLVBXAIYLVEE-HOTGVXAUSA-N 3 2 280.460 1.930 10 30 CDEELP Cc1nc(N2CC[NH+]([C@H](C)CCC#N)CC2)cc[nH+]1 ZINC000299489372 263244017 /nfs/dbraw/zinc/24/40/17/263244017.db2.gz ZZVOEGCPCPIKKR-GFCCVEGCSA-N 2 2 259.357 1.599 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367602956 267103683 /nfs/dbraw/zinc/10/36/83/267103683.db2.gz WZYOXSFECKWKRF-BFHYXJOUSA-N 2 2 286.441 1.050 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367602956 267103684 /nfs/dbraw/zinc/10/36/84/267103684.db2.gz WZYOXSFECKWKRF-BFHYXJOUSA-N 2 2 286.441 1.050 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367847363 267121786 /nfs/dbraw/zinc/12/17/86/267121786.db2.gz FWRVBRQKNUMMMD-HOTGVXAUSA-N 2 2 292.427 1.068 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847363 267121775 /nfs/dbraw/zinc/12/17/75/267121775.db2.gz FWRVBRQKNUMMMD-HOTGVXAUSA-N 2 2 292.427 1.068 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847363 267121780 /nfs/dbraw/zinc/12/17/80/267121780.db2.gz FWRVBRQKNUMMMD-HOTGVXAUSA-N 2 2 292.427 1.068 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367847363 267121782 /nfs/dbraw/zinc/12/17/82/267121782.db2.gz FWRVBRQKNUMMMD-HOTGVXAUSA-N 2 2 292.427 1.068 10 30 CDEELP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CC2 ZINC000453274435 303201780 /nfs/dbraw/zinc/20/17/80/303201780.db2.gz WGIZOBBOWTVEOK-AEFFLSMTSA-N 2 2 299.418 1.982 10 30 CDEELP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CC2 ZINC000453274435 303201783 /nfs/dbraw/zinc/20/17/83/303201783.db2.gz WGIZOBBOWTVEOK-AEFFLSMTSA-N 2 2 299.418 1.982 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667837063 483454977 /nfs/dbraw/zinc/45/49/77/483454977.db2.gz GROVSOBTZRHIHL-GJZGRUSLSA-N 2 2 250.386 1.794 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055069979 520128586 /nfs/dbraw/zinc/12/85/86/520128586.db2.gz SOAJIMXHLGMUCK-LSDHHAIUSA-N 2 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@](C#N)(CN(C)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000069083579 520223419 /nfs/dbraw/zinc/22/34/19/520223419.db2.gz KRHUDDKTZGAQSX-UKRRQHHQSA-N 2 2 264.417 1.152 10 30 CDEELP CC[NH2+][C@](C#N)(CN(C)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000069083579 520223426 /nfs/dbraw/zinc/22/34/26/520223426.db2.gz KRHUDDKTZGAQSX-UKRRQHHQSA-N 2 2 264.417 1.152 10 30 CDEELP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939624691 613351231 /nfs/dbraw/zinc/35/12/31/613351231.db2.gz YTWMKJHLEBAKTK-RISCZKNCSA-N 2 2 276.384 1.273 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248690 613536068 /nfs/dbraw/zinc/53/60/68/613536068.db2.gz YTGDRVDFXPJSIK-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248690 613536070 /nfs/dbraw/zinc/53/60/70/613536070.db2.gz YTGDRVDFXPJSIK-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C#N)ccn1 ZINC000902993090 625740726 /nfs/dbraw/zinc/74/07/26/625740726.db2.gz POOJRQHDRMCYBM-JQWIXIFHSA-N 2 2 267.336 1.884 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)o1 ZINC000903956994 626157668 /nfs/dbraw/zinc/15/76/68/626157668.db2.gz ORCUFZAYYSCRLH-VIFPVBQESA-N 2 2 255.268 1.486 10 30 CDEELP C[N@H+](CCc1cccc(C#N)c1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000866697615 1164810151 /nfs/dbraw/zinc/81/01/51/1164810151.db2.gz DJAKXPBQPPDAAR-UHFFFAOYSA-N 2 2 299.378 1.810 10 30 CDEELP C[N@@H+](CCc1cccc(C#N)c1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000866697615 1164810157 /nfs/dbraw/zinc/81/01/57/1164810157.db2.gz DJAKXPBQPPDAAR-UHFFFAOYSA-N 2 2 299.378 1.810 10 30 CDEELP C#CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568646317 1169412462 /nfs/dbraw/zinc/41/24/62/1169412462.db2.gz PGZDNTCIIFTTRO-CYBMUJFWSA-N 2 2 290.411 1.434 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568999784 1169588068 /nfs/dbraw/zinc/58/80/68/1169588068.db2.gz XNQCQXMWJXCTNH-LLVKDONJSA-N 2 2 264.373 1.207 10 30 CDEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569724426 1169976734 /nfs/dbraw/zinc/97/67/34/1169976734.db2.gz WIMSASOASPQGIG-INIZCTEOSA-N 2 2 290.411 1.665 10 30 CDEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569724426 1169976738 /nfs/dbraw/zinc/97/67/38/1169976738.db2.gz WIMSASOASPQGIG-INIZCTEOSA-N 2 2 290.411 1.665 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001674781575 1174010230 /nfs/dbraw/zinc/01/02/30/1174010230.db2.gz ZGAPGBRVKSVVHP-ZIAGYGMSSA-N 2 2 276.384 1.169 10 30 CDEELP C=CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001675318136 1174101769 /nfs/dbraw/zinc/10/17/69/1174101769.db2.gz VEOFXIUXVMNUNC-ZDUSSCGKSA-N 2 2 290.411 1.549 10 30 CDEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001692127791 1175680793 /nfs/dbraw/zinc/68/07/93/1175680793.db2.gz CFIKQLFYOLHMHV-CQSZACIVSA-N 2 2 290.411 1.889 10 30 CDEELP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699028230 1176049277 /nfs/dbraw/zinc/04/92/77/1176049277.db2.gz KPSAPWBYOVXKCI-KGLIPLIRSA-N 2 2 296.374 1.456 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001700139891 1176767093 /nfs/dbraw/zinc/76/70/93/1176767093.db2.gz YCCHBRIABWAPEE-CYBMUJFWSA-N 2 2 274.368 1.096 10 30 CDEELP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700380618 1176886924 /nfs/dbraw/zinc/88/69/24/1176886924.db2.gz QRHQCDDHRYEPKA-HSBZDZAISA-N 2 2 290.411 1.791 10 30 CDEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001700682051 1177073147 /nfs/dbraw/zinc/07/31/47/1177073147.db2.gz PIKPUIXCKQCXSK-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)Cn1cc[nH+]c1 ZINC001707469801 1178065128 /nfs/dbraw/zinc/06/51/28/1178065128.db2.gz JZCATFNVNWOCTK-UHFFFAOYSA-N 2 2 284.791 1.464 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)Cn1cc[nH+]c1 ZINC001707469801 1178065138 /nfs/dbraw/zinc/06/51/38/1178065138.db2.gz JZCATFNVNWOCTK-UHFFFAOYSA-N 2 2 284.791 1.464 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001714407298 1179126383 /nfs/dbraw/zinc/12/63/83/1179126383.db2.gz OJUMPALPOCFJGA-ZIAGYGMSSA-N 2 2 290.411 1.364 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001714616892 1179269793 /nfs/dbraw/zinc/26/97/93/1179269793.db2.gz AHFVDHAJUGSMRQ-AWEZNQCLSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001714616892 1179269800 /nfs/dbraw/zinc/26/98/00/1179269800.db2.gz AHFVDHAJUGSMRQ-AWEZNQCLSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714760932 1179382972 /nfs/dbraw/zinc/38/29/72/1179382972.db2.gz ZZLXIVABJVSAFO-CHWSQXEVSA-N 2 2 276.384 1.148 10 30 CDEELP C#CCC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001714827931 1179412956 /nfs/dbraw/zinc/41/29/56/1179412956.db2.gz FERTXMKERUJEBD-UHFFFAOYSA-N 2 2 290.411 1.501 10 30 CDEELP C#CCC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001714827931 1179412960 /nfs/dbraw/zinc/41/29/60/1179412960.db2.gz FERTXMKERUJEBD-UHFFFAOYSA-N 2 2 290.411 1.501 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714978223 1179488769 /nfs/dbraw/zinc/48/87/69/1179488769.db2.gz JMDPMTINRYVNDC-CYBMUJFWSA-N 2 2 290.411 1.603 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001714978223 1179488771 /nfs/dbraw/zinc/48/87/71/1179488771.db2.gz JMDPMTINRYVNDC-CYBMUJFWSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001715300476 1179615685 /nfs/dbraw/zinc/61/56/85/1179615685.db2.gz DLBFEOBPSKIJCQ-UHFFFAOYSA-N 2 2 290.411 1.868 10 30 CDEELP C=CC[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715832995 1179855960 /nfs/dbraw/zinc/85/59/60/1179855960.db2.gz GVQLBAWCXZCWHK-ARJAWSKDSA-N 2 2 270.336 1.625 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716349854 1180164130 /nfs/dbraw/zinc/16/41/30/1180164130.db2.gz XILAHKDHOZQSLD-ISZGNANSSA-N 2 2 276.384 1.672 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001716520759 1180265035 /nfs/dbraw/zinc/26/50/35/1180265035.db2.gz NOSOZJIXCVIFLJ-CABCVRRESA-N 2 2 290.411 1.724 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001716685509 1180367989 /nfs/dbraw/zinc/36/79/89/1180367989.db2.gz DIFRZIZYPKWGEB-UHFFFAOYSA-N 2 2 282.347 1.438 10 30 CDEELP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001717371012 1180632982 /nfs/dbraw/zinc/63/29/82/1180632982.db2.gz XUCXVONVPKLLAI-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001717371012 1180632983 /nfs/dbraw/zinc/63/29/83/1180632983.db2.gz XUCXVONVPKLLAI-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001724754411 1181740240 /nfs/dbraw/zinc/74/02/40/1181740240.db2.gz LAJGGPCCYBNGFQ-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001724900883 1181789908 /nfs/dbraw/zinc/78/99/08/1181789908.db2.gz ZEBFVXMQDCWJJW-QGZVFWFLSA-N 2 2 299.418 1.114 10 30 CDEELP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001724900883 1181789912 /nfs/dbraw/zinc/78/99/12/1181789912.db2.gz ZEBFVXMQDCWJJW-QGZVFWFLSA-N 2 2 299.418 1.114 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001725067260 1181842867 /nfs/dbraw/zinc/84/28/67/1181842867.db2.gz SDWNMVIPQOMERR-MOKVOYLWSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001725071203 1181844087 /nfs/dbraw/zinc/84/40/87/1181844087.db2.gz OFLNXXHPAFXDRX-HSBZDZAISA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001725071203 1181844091 /nfs/dbraw/zinc/84/40/91/1181844091.db2.gz OFLNXXHPAFXDRX-HSBZDZAISA-N 2 2 290.411 1.649 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001725176975 1181907854 /nfs/dbraw/zinc/90/78/54/1181907854.db2.gz OJRVATNZNYTOKB-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001725176975 1181907856 /nfs/dbraw/zinc/90/78/56/1181907856.db2.gz 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KWRWQIZPQCDYQX-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001569386946 1169841398 /nfs/dbraw/zinc/84/13/98/1169841398.db2.gz YKRWPQHJFFYOIP-HZPDHXFCSA-N 2 2 291.439 1.321 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001569386946 1169841407 /nfs/dbraw/zinc/84/14/07/1169841407.db2.gz YKRWPQHJFFYOIP-HZPDHXFCSA-N 2 2 291.439 1.321 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001496886487 973134655 /nfs/dbraw/zinc/13/46/55/973134655.db2.gz GHPMDZYSFWQDPG-UKRRQHHQSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001496886487 973134659 /nfs/dbraw/zinc/13/46/59/973134659.db2.gz GHPMDZYSFWQDPG-UKRRQHHQSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001498492630 973948357 /nfs/dbraw/zinc/94/83/57/973948357.db2.gz UXEIFWFAVQGSHU-CABCVRRESA-N 2 2 290.411 1.724 10 30 CDEELP 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1.370 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001570214269 1170113260 /nfs/dbraw/zinc/11/32/60/1170113260.db2.gz KWKDPEGHXQPMOV-UHFFFAOYSA-N 2 2 297.443 1.064 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001570214269 1170113265 /nfs/dbraw/zinc/11/32/65/1170113265.db2.gz KWKDPEGHXQPMOV-UHFFFAOYSA-N 2 2 297.443 1.064 10 30 CDEELP C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000651690333 398151886 /nfs/dbraw/zinc/15/18/86/398151886.db2.gz APISXKGXCNGWJJ-UONOGXRCSA-N 2 2 265.401 1.095 10 30 CDEELP N#Cc1cccc2c1C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000593319909 342788106 /nfs/dbraw/zinc/78/81/06/342788106.db2.gz GBKWGYKCIMPJMP-CYBMUJFWSA-N 2 2 298.390 1.071 10 30 CDEELP N#Cc1cccc2c1C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000593319909 342788107 /nfs/dbraw/zinc/78/81/07/342788107.db2.gz GBKWGYKCIMPJMP-CYBMUJFWSA-N 2 2 298.390 1.071 10 30 CDEELP Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C#N)c[nH+]1 ZINC000596540527 343346090 /nfs/dbraw/zinc/34/60/90/343346090.db2.gz UEXZNKQOPNIJJF-OAHLLOKOSA-N 2 2 286.379 1.297 10 30 CDEELP Cc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C#N)c[nH+]1 ZINC000596540527 343346092 /nfs/dbraw/zinc/34/60/92/343346092.db2.gz UEXZNKQOPNIJJF-OAHLLOKOSA-N 2 2 286.379 1.297 10 30 CDEELP C[C@H](CCC#N)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000618887161 345418604 /nfs/dbraw/zinc/41/86/04/345418604.db2.gz KRNSKQLGWXVEOZ-CQSZACIVSA-N 2 2 275.400 1.478 10 30 CDEELP CC1(C#N)CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449396724 362691968 /nfs/dbraw/zinc/69/19/68/362691968.db2.gz MMEZAHODEOLPMW-HWOWSKLDSA-N 2 2 279.428 1.895 10 30 CDEELP CC1(C#N)CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000449396724 362691972 /nfs/dbraw/zinc/69/19/72/362691972.db2.gz MMEZAHODEOLPMW-HWOWSKLDSA-N 2 2 279.428 1.895 10 30 CDEELP C=C(Br)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790524 179171578 /nfs/dbraw/zinc/17/15/78/179171578.db2.gz PAMJUNKRWHYVSC-GHMZBOCLSA-N 2 2 275.190 1.348 10 30 CDEELP C=C(Br)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790524 179171579 /nfs/dbraw/zinc/17/15/79/179171579.db2.gz PAMJUNKRWHYVSC-GHMZBOCLSA-N 2 2 275.190 1.348 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292202808 198201535 /nfs/dbraw/zinc/20/15/35/198201535.db2.gz SLTVUYZRETXSRJ-MRXNPFEDSA-N 2 2 277.412 1.215 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292202808 198201536 /nfs/dbraw/zinc/20/15/36/198201536.db2.gz SLTVUYZRETXSRJ-MRXNPFEDSA-N 2 2 277.412 1.215 10 30 CDEELP N#C[C@@]1(N2CC[NH2+]CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000036904576 358618654 /nfs/dbraw/zinc/61/86/54/358618654.db2.gz AMYNHJLDTMFQGG-KRWDZBQOSA-N 2 2 284.407 1.450 10 30 CDEELP N#C[C@@]1(N2CC[NH2+]CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904576 358618659 /nfs/dbraw/zinc/61/86/59/358618659.db2.gz AMYNHJLDTMFQGG-KRWDZBQOSA-N 2 2 284.407 1.450 10 30 CDEELP N#Cc1cccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000355107872 373822950 /nfs/dbraw/zinc/82/29/50/373822950.db2.gz ZISCQHJAAKJXHV-UHFFFAOYSA-N 2 2 296.378 1.362 10 30 CDEELP C[N@@H+]1CCN(c2cc(C#N)c3ccccc3n2)[C@H](C[NH3+])C1 ZINC000124479326 374800167 /nfs/dbraw/zinc/80/01/67/374800167.db2.gz ALYHHDYOCSXVPP-CYBMUJFWSA-N 2 2 281.363 1.186 10 30 CDEELP C[N@H+]1CCN(c2cc(C#N)c3ccccc3n2)[C@H](C[NH3+])C1 ZINC000124479326 374800172 /nfs/dbraw/zinc/80/01/72/374800172.db2.gz ALYHHDYOCSXVPP-CYBMUJFWSA-N 2 2 281.363 1.186 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001662984222 1172623746 /nfs/dbraw/zinc/62/37/46/1172623746.db2.gz QCYFHWTYPHOJQG-UONOGXRCSA-N 2 2 276.384 1.342 10 30 CDEELP COc1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)ccc1C#N ZINC000423119395 392958251 /nfs/dbraw/zinc/95/82/51/392958251.db2.gz CFVHTOBFOMGWFA-SWLSCSKDSA-N 2 2 289.379 1.423 10 30 CDEELP N#Cc1ccc2[nH+]cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2c1 ZINC000092616066 393113309 /nfs/dbraw/zinc/11/33/09/393113309.db2.gz LVVDXBUWVVLOAE-OAHLLOKOSA-N 2 2 295.390 1.876 10 30 CDEELP N#Cc1ccc2[nH+]cc(CN3CC[N@H+]4CCCC[C@@H]4C3)n2c1 ZINC000092616066 393113316 /nfs/dbraw/zinc/11/33/16/393113316.db2.gz LVVDXBUWVVLOAE-OAHLLOKOSA-N 2 2 295.390 1.876 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001665711558 1173044250 /nfs/dbraw/zinc/04/42/50/1173044250.db2.gz BDUWFBIQGCDLCF-XUWVNRHRSA-N 2 2 265.445 1.955 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001665711558 1173044257 /nfs/dbraw/zinc/04/42/57/1173044257.db2.gz BDUWFBIQGCDLCF-XUWVNRHRSA-N 2 2 265.445 1.955 10 30 CDEELP C=CCc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc(OC)c1O ZINC000663502866 414306437 /nfs/dbraw/zinc/30/64/37/414306437.db2.gz YMPWPOXBDMBPGW-UHFFFAOYSA-N 2 2 288.391 1.971 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683697 175091969 /nfs/dbraw/zinc/09/19/69/175091969.db2.gz GHXSMVPBTUTCAW-UHFFFAOYSA-N 3 2 277.437 1.584 10 30 CDEELP CC(C)N[C@@](C)(C#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045179580 175323961 /nfs/dbraw/zinc/32/39/61/175323961.db2.gz XXVQIAHLGMFGSE-OAHLLOKOSA-N 2 2 266.433 1.683 10 30 CDEELP CC(C)N[C@@](C)(C#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045179580 175323962 /nfs/dbraw/zinc/32/39/62/175323962.db2.gz XXVQIAHLGMFGSE-OAHLLOKOSA-N 2 2 266.433 1.683 10 30 CDEELP C=CCOc1ccccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415113390 263273268 /nfs/dbraw/zinc/27/32/68/263273268.db2.gz RMWPTEHNLASLKF-HNNXBMFYSA-N 2 2 276.380 1.801 10 30 CDEELP C=CCOc1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415113390 263273270 /nfs/dbraw/zinc/27/32/70/263273270.db2.gz RMWPTEHNLASLKF-HNNXBMFYSA-N 2 2 276.380 1.801 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001667313264 1173253495 /nfs/dbraw/zinc/25/34/95/1173253495.db2.gz PTKCSBRYXOFNFS-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001672240938 1173756682 /nfs/dbraw/zinc/75/66/82/1173756682.db2.gz MVVZTXCGEAZGAU-KGLIPLIRSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)C[NH+]1CCO[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001268030073 1159680206 /nfs/dbraw/zinc/68/02/06/1159680206.db2.gz MCZNFYKEVCXNPK-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[NH+]1CCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001268030073 1159680208 /nfs/dbraw/zinc/68/02/08/1159680208.db2.gz MCZNFYKEVCXNPK-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001268030073 1159680210 /nfs/dbraw/zinc/68/02/10/1159680210.db2.gz MCZNFYKEVCXNPK-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001268030073 1159680212 /nfs/dbraw/zinc/68/02/12/1159680212.db2.gz MCZNFYKEVCXNPK-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268403750 1159927416 /nfs/dbraw/zinc/92/74/16/1159927416.db2.gz LEBBBJOANAXUJA-MGPQQGTHSA-N 2 2 290.411 1.584 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001670807068 1160168720 /nfs/dbraw/zinc/16/87/20/1160168720.db2.gz BWIJWYNNSNBPMS-ZDUSSCGKSA-N 2 2 288.395 1.260 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689909865 1175301840 /nfs/dbraw/zinc/30/18/40/1175301840.db2.gz UPPCLYGCZNSJLY-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(C#N)ccn1 ZINC000902720000 625262599 /nfs/dbraw/zinc/26/25/99/625262599.db2.gz BLRQFONWSVFAAG-GFCCVEGCSA-N 2 2 255.325 1.891 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001568452966 1169294098 /nfs/dbraw/zinc/29/40/98/1169294098.db2.gz MDFBFYQWYDSLJJ-MCIONIFRSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001568452966 1169294105 /nfs/dbraw/zinc/29/41/05/1169294105.db2.gz MDFBFYQWYDSLJJ-MCIONIFRSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001660550926 1172234083 /nfs/dbraw/zinc/23/40/83/1172234083.db2.gz RKEKHPUWMQBRRU-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001660550926 1172234084 /nfs/dbraw/zinc/23/40/84/1172234084.db2.gz RKEKHPUWMQBRRU-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620678760 1172606035 /nfs/dbraw/zinc/60/60/35/1172606035.db2.gz IJNWKLIBAOVLRD-ZDUSSCGKSA-N 2 2 277.368 1.717 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]ccc1OC ZINC001665809879 1173065747 /nfs/dbraw/zinc/06/57/47/1173065747.db2.gz NISWQOAPKYENDG-ZDUSSCGKSA-N 2 2 277.368 1.303 10 30 CDEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001673958794 1173902032 /nfs/dbraw/zinc/90/20/32/1173902032.db2.gz KQYJOSXRLIHASD-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001673958794 1173902036 /nfs/dbraw/zinc/90/20/36/1173902036.db2.gz KQYJOSXRLIHASD-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001676473865 1174230552 /nfs/dbraw/zinc/23/05/52/1174230552.db2.gz ZEWYJSQMFBTVNM-LBPRGKRZSA-N 2 2 278.400 1.663 10 30 CDEELP C#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001690848542 1175589382 /nfs/dbraw/zinc/58/93/82/1175589382.db2.gz DZKYUHLBJDRRKF-GFCCVEGCSA-N 2 2 276.384 1.044 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001698587786 1175859091 /nfs/dbraw/zinc/85/90/91/1175859091.db2.gz KWVVHYLBOBNHBQ-CYBMUJFWSA-N 2 2 276.384 1.071 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001698587786 1175859095 /nfs/dbraw/zinc/85/90/95/1175859095.db2.gz KWVVHYLBOBNHBQ-CYBMUJFWSA-N 2 2 276.384 1.071 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001698977010 1176003913 /nfs/dbraw/zinc/00/39/13/1176003913.db2.gz DYKVMLOTYZPLTK-LBPRGKRZSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001699667790 1176560362 /nfs/dbraw/zinc/56/03/62/1176560362.db2.gz XPLWCBCHMMEQLP-LBPRGKRZSA-N 2 2 276.384 1.545 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001700817084 1177147707 /nfs/dbraw/zinc/14/77/07/1177147707.db2.gz ABOUKQQCADRWKX-UKRRQHHQSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001700817084 1177147711 /nfs/dbraw/zinc/14/77/11/1177147711.db2.gz ABOUKQQCADRWKX-UKRRQHHQSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001700909643 1177192086 /nfs/dbraw/zinc/19/20/86/1177192086.db2.gz FUPSJWNHASYRJS-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001713169258 1178410097 /nfs/dbraw/zinc/41/00/97/1178410097.db2.gz JXJVEITWLVDEBE-HAQNSBGRSA-N 2 2 262.357 1.155 10 30 CDEELP C=CCC[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713287535 1178468227 /nfs/dbraw/zinc/46/82/27/1178468227.db2.gz HTWOLEIBASPFPE-UHFFFAOYSA-N 2 2 290.411 1.935 10 30 CDEELP C=CCC[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713287535 1178468232 /nfs/dbraw/zinc/46/82/32/1178468232.db2.gz HTWOLEIBASPFPE-UHFFFAOYSA-N 2 2 290.411 1.935 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001713408538 1178542955 /nfs/dbraw/zinc/54/29/55/1178542955.db2.gz SFJBKTNSZUMEPL-CYBMUJFWSA-N 2 2 290.411 1.432 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001715236405 1179590889 /nfs/dbraw/zinc/59/08/89/1179590889.db2.gz ABNDHMDBYHULIA-KGLIPLIRSA-N 2 2 290.411 1.364 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001715236409 1179591205 /nfs/dbraw/zinc/59/12/05/1179591205.db2.gz ABNDHMDBYHULIA-ZIAGYGMSSA-N 2 2 290.411 1.364 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001716461048 1180223771 /nfs/dbraw/zinc/22/37/71/1180223771.db2.gz VVRLEFGBIUNANF-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001716547016 1180278738 /nfs/dbraw/zinc/27/87/38/1180278738.db2.gz KJBZACGPXIQASG-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001716547016 1180278742 /nfs/dbraw/zinc/27/87/42/1180278742.db2.gz KJBZACGPXIQASG-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001716762569 1180404986 /nfs/dbraw/zinc/40/49/86/1180404986.db2.gz AEQMXQNQILVFQW-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001717007169 1180499709 /nfs/dbraw/zinc/49/97/09/1180499709.db2.gz RIPGOJZWMCUPHC-UHFFFAOYSA-N 2 2 296.374 1.204 10 30 CDEELP CC#CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717448427 1180677140 /nfs/dbraw/zinc/67/71/40/1180677140.db2.gz KKIYJRXSRIVEKN-UHFFFAOYSA-N 2 2 288.395 1.335 10 30 CDEELP C=CCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001717853992 1180894022 /nfs/dbraw/zinc/89/40/22/1180894022.db2.gz OBFNGHZIKCELKM-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001717853992 1180894030 /nfs/dbraw/zinc/89/40/30/1180894030.db2.gz OBFNGHZIKCELKM-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001717853992 1180894037 /nfs/dbraw/zinc/89/40/37/1180894037.db2.gz OBFNGHZIKCELKM-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001717853992 1180894047 /nfs/dbraw/zinc/89/40/47/1180894047.db2.gz OBFNGHZIKCELKM-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001723308634 1181535835 /nfs/dbraw/zinc/53/58/35/1181535835.db2.gz VVJNFKADXQCYQL-AWEZNQCLSA-N 2 2 288.395 1.044 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725105916 1181864373 /nfs/dbraw/zinc/86/43/73/1181864373.db2.gz SIJXVTNEVZDXBD-OLZOCXBDSA-N 2 2 273.380 1.736 10 30 CDEELP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001733443265 1183433473 /nfs/dbraw/zinc/43/34/73/1183433473.db2.gz GZESYKRWSKXJCY-MRXNPFEDSA-N 2 2 288.395 1.125 10 30 CDEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001733853995 1183551613 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C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)CC#N)C1 ZINC000809574250 813834921 /nfs/dbraw/zinc/83/49/21/813834921.db2.gz IGIDFTOOJNFKSP-ARFHVFGLSA-N 2 2 279.428 1.847 10 30 CDEELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000809574250 813834922 /nfs/dbraw/zinc/83/49/22/813834922.db2.gz IGIDFTOOJNFKSP-ARFHVFGLSA-N 2 2 279.428 1.847 10 30 CDEELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)CC#N)C1 ZINC000809574250 813834923 /nfs/dbraw/zinc/83/49/23/813834923.db2.gz IGIDFTOOJNFKSP-ARFHVFGLSA-N 2 2 279.428 1.847 10 30 CDEELP O=C(C#CC1CC[NH2+]CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000852863972 816755856 /nfs/dbraw/zinc/75/58/56/816755856.db2.gz VBLXSIQPWSOCEP-UHFFFAOYSA-N 2 2 286.379 1.119 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876732048 816826254 /nfs/dbraw/zinc/82/62/54/816826254.db2.gz WYBOTZPRLMLGDW-MNOVXSKESA-N 2 2 282.775 1.586 10 30 CDEELP C=CCC[C@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926546327 816827607 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CCO[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+](C)C ZINC000922757212 921791285 /nfs/dbraw/zinc/79/12/85/921791285.db2.gz RWJXSJWYGCKJOW-HNNXBMFYSA-N 2 2 261.369 1.615 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568176419 1169161604 /nfs/dbraw/zinc/16/16/04/1169161604.db2.gz HINOILMJOOEFEM-JHJVBQTASA-N 2 2 276.384 1.431 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568176419 1169161608 /nfs/dbraw/zinc/16/16/08/1169161608.db2.gz HINOILMJOOEFEM-JHJVBQTASA-N 2 2 276.384 1.431 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001485220321 916664780 /nfs/dbraw/zinc/66/47/80/916664780.db2.gz RAJUAHLTILXKRS-STQMWFEESA-N 2 2 278.400 1.412 10 30 CDEELP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001490781895 927341952 /nfs/dbraw/zinc/34/19/52/927341952.db2.gz BUWWKVZTVBLLJA-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001490781895 927341963 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C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265877284 944553798 /nfs/dbraw/zinc/55/37/98/944553798.db2.gz DZXPLXXYZOSADQ-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266235324 944775072 /nfs/dbraw/zinc/77/50/72/944775072.db2.gz UJSPLUZGWZEHDE-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266235324 944775077 /nfs/dbraw/zinc/77/50/77/944775077.db2.gz UJSPLUZGWZEHDE-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001479261347 971278335 /nfs/dbraw/zinc/27/83/35/971278335.db2.gz SDIMLGXMOSUASL-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001479261347 971278343 /nfs/dbraw/zinc/27/83/43/971278343.db2.gz SDIMLGXMOSUASL-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279039196 948630966 /nfs/dbraw/zinc/63/09/66/948630966.db2.gz SOABKRLSCREPKU-OCCSQVGLSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001480216599 971631852 /nfs/dbraw/zinc/63/18/52/971631852.db2.gz VEJJHZRSOVGPCR-BETUJISGSA-N 2 2 276.384 1.166 10 30 CDEELP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480649666 971825283 /nfs/dbraw/zinc/82/52/83/971825283.db2.gz XRFBMZRIQWBIJK-CQSZACIVSA-N 2 2 290.411 1.551 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480773477 971872952 /nfs/dbraw/zinc/87/29/52/971872952.db2.gz IMRLHWHFDOVMQW-LBPRGKRZSA-N 2 2 278.400 1.597 10 30 CDEELP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001324983232 953668199 /nfs/dbraw/zinc/66/81/99/953668199.db2.gz JYTQRSSPTLPOLY-MRXNPFEDSA-N 2 2 288.395 1.125 10 30 CDEELP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001324983232 953668205 /nfs/dbraw/zinc/66/82/05/953668205.db2.gz JYTQRSSPTLPOLY-MRXNPFEDSA-N 2 2 288.395 1.125 10 30 CDEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001327923165 955114518 /nfs/dbraw/zinc/11/45/18/955114518.db2.gz GYOPKCTYFIHMTP-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491594625 955305573 /nfs/dbraw/zinc/30/55/73/955305573.db2.gz GMPWBXMCBUKJPY-VXGBXAGGSA-N 2 2 250.346 1.115 10 30 CDEELP C=C(C)C[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001328929234 955560456 /nfs/dbraw/zinc/56/04/56/955560456.db2.gz YIGOEGPXOZVEBK-NFOMZHRRSA-N 2 2 290.411 1.895 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001492096484 955622018 /nfs/dbraw/zinc/62/20/18/955622018.db2.gz GXQADXAKFQKBGM-ZYHUDNBSSA-N 2 2 298.818 1.825 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001492096484 955622024 /nfs/dbraw/zinc/62/20/24/955622024.db2.gz GXQADXAKFQKBGM-ZYHUDNBSSA-N 2 2 298.818 1.825 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329031743 955641655 /nfs/dbraw/zinc/64/16/55/955641655.db2.gz CXRYRCXSBVRESE-ZIAGYGMSSA-N 2 2 298.390 1.762 10 30 CDEELP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001329473909 955937054 /nfs/dbraw/zinc/93/70/54/955937054.db2.gz DTDYDQUYEPVAHM-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001329473909 955937064 /nfs/dbraw/zinc/93/70/64/955937064.db2.gz DTDYDQUYEPVAHM-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317037188 957221541 /nfs/dbraw/zinc/22/15/41/957221541.db2.gz OENINEXVGOQRSC-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317037188 957221551 /nfs/dbraw/zinc/22/15/51/957221551.db2.gz OENINEXVGOQRSC-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317037188 957221555 /nfs/dbraw/zinc/22/15/55/957221555.db2.gz OENINEXVGOQRSC-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317037188 957221564 /nfs/dbraw/zinc/22/15/64/957221564.db2.gz OENINEXVGOQRSC-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001317245656 957376174 /nfs/dbraw/zinc/37/61/74/957376174.db2.gz COZXTERFMOJVRS-CABCVRRESA-N 2 2 290.411 1.588 10 30 CDEELP C=CCC[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001317413577 957461077 /nfs/dbraw/zinc/46/10/77/957461077.db2.gz YHQHSJVRMWNTII-LLVKDONJSA-N 2 2 264.373 1.321 10 30 CDEELP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317845920 957695049 /nfs/dbraw/zinc/69/50/49/957695049.db2.gz VQYPFEIARZADPY-HNNXBMFYSA-N 2 2 288.395 1.077 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317845920 957695058 /nfs/dbraw/zinc/69/50/58/957695058.db2.gz VQYPFEIARZADPY-HNNXBMFYSA-N 2 2 288.395 1.077 10 30 CDEELP C=CC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@H]1C ZINC001318756515 958255806 /nfs/dbraw/zinc/25/58/06/958255806.db2.gz CTNHULKEWISIMT-ZBFHGGJFSA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319069783 958364846 /nfs/dbraw/zinc/36/48/46/958364846.db2.gz LGYBWSUNNRCEMT-OAHLLOKOSA-N 2 2 296.374 1.470 10 30 CDEELP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001495280806 972463131 /nfs/dbraw/zinc/46/31/31/972463131.db2.gz JXKPCHNVTHQULW-LRDDRELGSA-N 2 2 288.395 1.096 10 30 CDEELP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001495280806 972463138 /nfs/dbraw/zinc/46/31/38/972463138.db2.gz JXKPCHNVTHQULW-LRDDRELGSA-N 2 2 288.395 1.096 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001323358064 960678053 /nfs/dbraw/zinc/67/80/53/960678053.db2.gz RCSBTAWTGSRYOH-HOTGVXAUSA-N 2 2 293.455 1.873 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001323358064 960678068 /nfs/dbraw/zinc/67/80/68/960678068.db2.gz RCSBTAWTGSRYOH-HOTGVXAUSA-N 2 2 293.455 1.873 10 30 CDEELP C#CCC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001479890556 965723802 /nfs/dbraw/zinc/72/38/02/965723802.db2.gz NVITWKJALUAJSC-UHFFFAOYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001569603599 1169935882 /nfs/dbraw/zinc/93/58/82/1169935882.db2.gz BFTLQXUPCREHRD-HNNXBMFYSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC001569603599 1169935888 /nfs/dbraw/zinc/93/58/88/1169935888.db2.gz BFTLQXUPCREHRD-HNNXBMFYSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001498322566 973827429 /nfs/dbraw/zinc/82/74/29/973827429.db2.gz GYHYDSMKATXTFI-STQMWFEESA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001498322566 973827433 /nfs/dbraw/zinc/82/74/33/973827433.db2.gz GYHYDSMKATXTFI-STQMWFEESA-N 2 2 276.384 1.068 10 30 CDEELP C=C(C)CC[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001505521979 974900504 /nfs/dbraw/zinc/90/05/04/974900504.db2.gz PYKXQPOVGUQQNG-UHFFFAOYSA-N 2 2 276.384 1.403 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001507297517 975402609 /nfs/dbraw/zinc/40/26/09/975402609.db2.gz NXSWSXYMVZSTIA-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C=CCCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001570856515 1170303045 /nfs/dbraw/zinc/30/30/45/1170303045.db2.gz XBAPCYJQMJLIFD-LBPRGKRZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[C@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000651690331 398151574 /nfs/dbraw/zinc/15/15/74/398151574.db2.gz APISXKGXCNGWJJ-KBPBESRZSA-N 2 2 265.401 1.095 10 30 CDEELP N#CC1(c2ccc(C[NH2+]CC[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000599019688 343940362 /nfs/dbraw/zinc/94/03/62/343940362.db2.gz UDLSWUJAIZLIJF-INIZCTEOSA-N 2 2 285.391 1.398 10 30 CDEELP N#CC1(c2ccc(C[NH2+]CC[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000599019688 343940363 /nfs/dbraw/zinc/94/03/63/343940363.db2.gz UDLSWUJAIZLIJF-INIZCTEOSA-N 2 2 285.391 1.398 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000337200067 360020757 /nfs/dbraw/zinc/02/07/57/360020757.db2.gz ZHFMGPHGESFHQW-RDBSUJKOSA-N 2 2 265.401 1.188 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000337200067 360020761 /nfs/dbraw/zinc/02/07/61/360020761.db2.gz ZHFMGPHGESFHQW-RDBSUJKOSA-N 2 2 265.401 1.188 10 30 CDEELP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC000337200067 360020767 /nfs/dbraw/zinc/02/07/67/360020767.db2.gz ZHFMGPHGESFHQW-RDBSUJKOSA-N 2 2 265.401 1.188 10 30 CDEELP C=CCN1CC[C@H]([N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC000337200067 360020770 /nfs/dbraw/zinc/02/07/70/360020770.db2.gz ZHFMGPHGESFHQW-RDBSUJKOSA-N 2 2 265.401 1.188 10 30 CDEELP C[NH+](C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1cccs1 ZINC000058159544 375676135 /nfs/dbraw/zinc/67/61/35/375676135.db2.gz RFFOLGYTPFHSQQ-NWDGAFQWSA-N 2 2 296.440 1.434 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001664750340 1172902770 /nfs/dbraw/zinc/90/27/70/1172902770.db2.gz KLOGBMBBPIWFES-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000662685699 413309324 /nfs/dbraw/zinc/30/93/24/413309324.db2.gz GOFWQEOPCGXXGQ-TZMCWYRMSA-N 2 2 262.357 1.086 10 30 CDEELP CCOC1CC[NH+](CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045313054 175357152 /nfs/dbraw/zinc/35/71/52/175357152.db2.gz VCUNEKRIDBVQSA-CQSZACIVSA-N 2 2 253.390 1.899 10 30 CDEELP CC[N@H+](CCC[C@](C)(C#N)[NH2+]C)C[C@@H]1CCCO1 ZINC000045315114 175357277 /nfs/dbraw/zinc/35/72/77/175357277.db2.gz GUPDUQAWJTUHRM-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP CC[N@@H+](CCC[C@](C)(C#N)[NH2+]C)C[C@@H]1CCCO1 ZINC000045315114 175357278 /nfs/dbraw/zinc/35/72/78/175357278.db2.gz GUPDUQAWJTUHRM-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH+](C)CC1CC[NH+](CCC[C@](C)([NH3+])C#N)CC1 ZINC000045315755 175358368 /nfs/dbraw/zinc/35/83/68/175358368.db2.gz IOLCLWZTZWTDAX-AWEZNQCLSA-N 3 2 252.406 1.281 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001667290161 1173251890 /nfs/dbraw/zinc/25/18/90/1173251890.db2.gz GLVODGCVSXEDIO-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001667313263 1173253266 /nfs/dbraw/zinc/25/32/66/1173253266.db2.gz PTKCSBRYXOFNFS-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001669323890 1173536184 /nfs/dbraw/zinc/53/61/84/1173536184.db2.gz RDLHHKHHAZXWBK-HUUCEWRRSA-N 2 2 290.411 1.588 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001672228452 1173753522 /nfs/dbraw/zinc/75/35/22/1173753522.db2.gz PVSYWDVZCCPTSE-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP N#Cc1csc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000177689535 482423604 /nfs/dbraw/zinc/42/36/04/482423604.db2.gz ZWOCGKVSSMHTAJ-CYBMUJFWSA-N 2 2 279.409 1.556 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415981 483108838 /nfs/dbraw/zinc/10/88/38/483108838.db2.gz MWEBWLJWTXMWBB-HZPDHXFCSA-N 2 2 291.439 1.651 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415981 483108844 /nfs/dbraw/zinc/10/88/44/483108844.db2.gz MWEBWLJWTXMWBB-HZPDHXFCSA-N 2 2 291.439 1.651 10 30 CDEELP C=CC[N@@H+](CCOC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668054855 483549253 /nfs/dbraw/zinc/54/92/53/483549253.db2.gz JCRRHYALINEJSE-UHFFFAOYSA-N 2 2 272.352 1.902 10 30 CDEELP C=CC[N@H+](CCOC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668054855 483549258 /nfs/dbraw/zinc/54/92/58/483549258.db2.gz JCRRHYALINEJSE-UHFFFAOYSA-N 2 2 272.352 1.902 10 30 CDEELP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001485364532 1161277037 /nfs/dbraw/zinc/27/70/37/1161277037.db2.gz FHBZDZUBEUEAII-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCCC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001485364532 1161277039 /nfs/dbraw/zinc/27/70/39/1161277039.db2.gz FHBZDZUBEUEAII-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001714117294 1178980482 /nfs/dbraw/zinc/98/04/82/1178980482.db2.gz ZENAHRWTHRHFGD-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP CC[NH2+][C@](C#N)(CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000069082607 520223470 /nfs/dbraw/zinc/22/34/70/520223470.db2.gz MILPCTCRMBFYRJ-HUUCEWRRSA-N 2 2 264.417 1.294 10 30 CDEELP CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609363 523498108 /nfs/dbraw/zinc/49/81/08/523498108.db2.gz IJDZCMHYKPPKLB-OAHLLOKOSA-N 2 2 276.355 1.747 10 30 CDEELP CC[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609363 523498114 /nfs/dbraw/zinc/49/81/14/523498114.db2.gz IJDZCMHYKPPKLB-OAHLLOKOSA-N 2 2 276.355 1.747 10 30 CDEELP C#CC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001690027375 1175350742 /nfs/dbraw/zinc/35/07/42/1175350742.db2.gz JZSLLJCRMDGBRR-CQSZACIVSA-N 2 2 288.395 1.390 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903000867 625764725 /nfs/dbraw/zinc/76/47/25/625764725.db2.gz NTOSLUTXNTYBEK-CYBMUJFWSA-N 2 2 256.353 1.559 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903000867 625764732 /nfs/dbraw/zinc/76/47/32/625764732.db2.gz NTOSLUTXNTYBEK-CYBMUJFWSA-N 2 2 256.353 1.559 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000900669936 623356977 /nfs/dbraw/zinc/35/69/77/623356977.db2.gz BYINXZJAHVXKMR-UHFFFAOYSA-N 2 2 258.325 1.781 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691061513 1158865259 /nfs/dbraw/zinc/86/52/59/1158865259.db2.gz HMRUVMMFQKYQLA-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691061513 1158865272 /nfs/dbraw/zinc/86/52/72/1158865272.db2.gz HMRUVMMFQKYQLA-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691066512 1158878424 /nfs/dbraw/zinc/87/84/24/1158878424.db2.gz OYHODADGEVKASJ-OAHLLOKOSA-N 2 2 290.411 1.690 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691066512 1158878434 /nfs/dbraw/zinc/87/84/34/1158878434.db2.gz OYHODADGEVKASJ-OAHLLOKOSA-N 2 2 290.411 1.690 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691403091 1159055297 /nfs/dbraw/zinc/05/52/97/1159055297.db2.gz XWOJSCMOHWBCRN-CQSZACIVSA-N 2 2 290.411 1.725 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691403091 1159055303 /nfs/dbraw/zinc/05/53/03/1159055303.db2.gz XWOJSCMOHWBCRN-CQSZACIVSA-N 2 2 290.411 1.725 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001571278371 1170359235 /nfs/dbraw/zinc/35/92/35/1170359235.db2.gz YKVMICJAPAPHKL-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH2+][C@H](CCNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001571350844 1170378708 /nfs/dbraw/zinc/37/87/08/1170378708.db2.gz WAGVQZAPJCJHSO-OAHLLOKOSA-N 2 2 290.411 1.417 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001571662801 1170513959 /nfs/dbraw/zinc/51/39/59/1170513959.db2.gz RYHSBWDGTXYCQQ-NFOMZHRRSA-N 2 2 288.395 1.437 10 30 CDEELP C#C[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC001652894538 1171489214 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288.395 1.411 10 30 CDEELP CN(C)c1ccc(C(N)=[NH+]OCCc2c[nH+]cn2C)cc1 ZINC000853657390 819076631 /nfs/dbraw/zinc/07/66/31/819076631.db2.gz RIFYWIANLPXLAX-UHFFFAOYSA-N 2 2 287.367 1.366 10 30 CDEELP N#Cc1ccc([C@H](O)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000923381391 821542955 /nfs/dbraw/zinc/54/29/55/821542955.db2.gz LVUFQZSGHCWFEI-OAHLLOKOSA-N 2 2 271.364 1.420 10 30 CDEELP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001571660660 1167602890 /nfs/dbraw/zinc/60/28/90/1167602890.db2.gz LIVVCVVLUDAGSW-UHFFFAOYSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001566984309 1168487605 /nfs/dbraw/zinc/48/76/05/1168487605.db2.gz JZECPMAUDWBQQA-UHFFFAOYSA-N 2 2 276.384 1.545 10 30 CDEELP C=CC[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001566984309 1168487610 /nfs/dbraw/zinc/48/76/10/1168487610.db2.gz JZECPMAUDWBQQA-UHFFFAOYSA-N 2 2 276.384 1.545 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266536921 895270973 /nfs/dbraw/zinc/27/09/73/895270973.db2.gz AVKMUNHKFOCPIX-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266536921 895270987 /nfs/dbraw/zinc/27/09/87/895270987.db2.gz AVKMUNHKFOCPIX-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001266973729 896474225 /nfs/dbraw/zinc/47/42/25/896474225.db2.gz BUAOLWIOJDFUOR-AWEZNQCLSA-N 2 2 296.374 1.098 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001567573361 1168865602 /nfs/dbraw/zinc/86/56/02/1168865602.db2.gz COPXFMGZBBXOOY-GFCCVEGCSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001567573361 1168865614 /nfs/dbraw/zinc/86/56/14/1168865614.db2.gz COPXFMGZBBXOOY-GFCCVEGCSA-N 2 2 264.373 1.212 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001267964693 900097937 /nfs/dbraw/zinc/09/79/37/900097937.db2.gz DBQAQLPXWNJJMG-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001268116438 901328614 /nfs/dbraw/zinc/32/86/14/901328614.db2.gz NVDNKQODFONNMT-AWEZNQCLSA-N 2 2 276.384 1.027 10 30 CDEELP C=CCC[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001268883530 903204603 /nfs/dbraw/zinc/20/46/03/903204603.db2.gz OAZWMFBDJAUXQX-ZDUSSCGKSA-N 2 2 276.384 1.458 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001269425805 903798864 /nfs/dbraw/zinc/79/88/64/903798864.db2.gz UERDXCIXIQCKOS-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001270143563 904394007 /nfs/dbraw/zinc/39/40/07/904394007.db2.gz LKYBORIJHNPFIW-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001270143563 904394028 /nfs/dbraw/zinc/39/40/28/904394028.db2.gz LKYBORIJHNPFIW-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482385395 905275893 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C=CC[NH2+][C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001491461363 936920876 /nfs/dbraw/zinc/92/08/76/936920876.db2.gz FKIVCYKGKDWMBV-FZMZJTMJSA-N 2 2 291.399 1.070 10 30 CDEELP C=CC[NH2+][C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001491461363 936920877 /nfs/dbraw/zinc/92/08/77/936920877.db2.gz FKIVCYKGKDWMBV-FZMZJTMJSA-N 2 2 291.399 1.070 10 30 CDEELP C=C(C)C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490393774 927146810 /nfs/dbraw/zinc/14/68/10/927146810.db2.gz ZHCLUSCSRIEIRB-UHFFFAOYSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490393774 927146818 /nfs/dbraw/zinc/14/68/18/927146818.db2.gz ZHCLUSCSRIEIRB-UHFFFAOYSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275402617 931774294 /nfs/dbraw/zinc/77/42/94/931774294.db2.gz BAYRTCOIUKRXEN-QWHCGFSZSA-N 2 2 286.379 1.925 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001277299017 942314259 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CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278425522 947890865 /nfs/dbraw/zinc/89/08/65/947890865.db2.gz ASRNRUZMIOJNCY-GDBMZVCRSA-N 2 2 288.395 1.438 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001480030429 971545927 /nfs/dbraw/zinc/54/59/27/971545927.db2.gz LSZGJTMNWQLJJL-ZFWWWQNUSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001480386981 971697198 /nfs/dbraw/zinc/69/71/98/971697198.db2.gz NSENBSUXQZRFOG-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001480386981 971697200 /nfs/dbraw/zinc/69/72/00/971697200.db2.gz NSENBSUXQZRFOG-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001569142081 1169686857 /nfs/dbraw/zinc/68/68/57/1169686857.db2.gz FUFFXVRKLVWBBV-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001569142081 1169686864 /nfs/dbraw/zinc/68/68/64/1169686864.db2.gz FUFFXVRKLVWBBV-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001569142081 1169686867 /nfs/dbraw/zinc/68/68/67/1169686867.db2.gz FUFFXVRKLVWBBV-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001569142081 1169686874 /nfs/dbraw/zinc/68/68/74/1169686874.db2.gz FUFFXVRKLVWBBV-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP CC#CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001569141816 1169687087 /nfs/dbraw/zinc/68/70/87/1169687087.db2.gz YNTXTKSNNFOWBL-UONOGXRCSA-N 2 2 276.384 1.294 10 30 CDEELP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001569141816 1169687094 /nfs/dbraw/zinc/68/70/94/1169687094.db2.gz YNTXTKSNNFOWBL-UONOGXRCSA-N 2 2 276.384 1.294 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001569142083 1169687453 /nfs/dbraw/zinc/68/74/53/1169687453.db2.gz FUFFXVRKLVWBBV-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001569142083 1169687463 /nfs/dbraw/zinc/68/74/63/1169687463.db2.gz FUFFXVRKLVWBBV-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001569142083 1169687468 /nfs/dbraw/zinc/68/74/68/1169687468.db2.gz FUFFXVRKLVWBBV-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001569142083 1169687475 /nfs/dbraw/zinc/68/74/75/1169687475.db2.gz FUFFXVRKLVWBBV-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001324813475 953589117 /nfs/dbraw/zinc/58/91/17/953589117.db2.gz NQSKBUJGFNZYGT-INIZCTEOSA-N 2 2 290.411 1.702 10 30 CDEELP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001569216895 1169725074 /nfs/dbraw/zinc/72/50/74/1169725074.db2.gz XDJPOQGZCBOYAL-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001330030025 956242209 /nfs/dbraw/zinc/24/22/09/956242209.db2.gz CLHOCWORDHQTDL-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316878252 957084051 /nfs/dbraw/zinc/08/40/51/957084051.db2.gz HBFRMSRPZPIKLC-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317323600 957422691 /nfs/dbraw/zinc/42/26/91/957422691.db2.gz SVMBWBQYFQHZDY-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317323600 957422695 /nfs/dbraw/zinc/42/26/95/957422695.db2.gz SVMBWBQYFQHZDY-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317329807 957425164 /nfs/dbraw/zinc/42/51/64/957425164.db2.gz GSHRFQVBTYVSPH-CQSZACIVSA-N 2 2 296.374 1.409 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001569321272 1169764820 /nfs/dbraw/zinc/76/48/20/1169764820.db2.gz LAXZGVIMICOWKF-CYBMUJFWSA-N 2 2 262.357 1.013 10 30 CDEELP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321127881 959607397 /nfs/dbraw/zinc/60/73/97/959607397.db2.gz UVFPWVIHTSTBQI-ISZGNANSSA-N 2 2 288.395 1.284 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001322362819 960195674 /nfs/dbraw/zinc/19/56/74/960195674.db2.gz ZPEFTVHDGQTLFN-KBPBESRZSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001419945548 962264172 /nfs/dbraw/zinc/26/41/72/962264172.db2.gz XBXNIVYZGARDBX-LBPRGKRZSA-N 2 2 284.791 1.366 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001496091147 972790297 /nfs/dbraw/zinc/79/02/97/972790297.db2.gz ATRSFUPLEACHCH-STQMWFEESA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001496914378 973143302 /nfs/dbraw/zinc/14/33/02/973143302.db2.gz IWRXWQRLTUBQOV-JSGCOSHPSA-N 2 2 276.384 1.023 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001498503502 973952442 /nfs/dbraw/zinc/95/24/42/973952442.db2.gz LAEYIHQYWSAWMS-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001506890172 975247286 /nfs/dbraw/zinc/24/72/86/975247286.db2.gz FFMHLNZKMWVNKT-HDJSIYSDSA-N 2 2 296.374 1.456 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001403016227 976664714 /nfs/dbraw/zinc/66/47/14/976664714.db2.gz SSYSEZXACTWJSB-NWDGAFQWSA-N 2 2 298.818 1.588 10 30 CDEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001570781478 1170279382 /nfs/dbraw/zinc/27/93/82/1170279382.db2.gz QXUDMCPSLRRVBD-CQSZACIVSA-N 2 2 292.427 1.991 10 30 CDEELP C=CC[NH+]1CCC(NCc2c[nH+]ccc2N(C)C)CC1 ZINC001655528887 1171699129 /nfs/dbraw/zinc/69/91/29/1171699129.db2.gz LGVOGXUDMFYYMJ-UHFFFAOYSA-N 2 2 274.412 1.888 10 30 CDEELP N#Cc1ccc(C[NH2+]C2CC[NH+](CCO)CC2)cc1F ZINC000404653175 347414622 /nfs/dbraw/zinc/41/46/22/347414622.db2.gz SBENLICOAAKTTA-UHFFFAOYSA-N 2 2 277.343 1.244 10 30 CDEELP C#CC[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000161167538 367430783 /nfs/dbraw/zinc/43/07/83/367430783.db2.gz IURRMTAXFKYCHD-UHFFFAOYSA-N 2 2 289.398 1.508 10 30 CDEELP C#CC[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000161167538 367430790 /nfs/dbraw/zinc/43/07/90/367430790.db2.gz IURRMTAXFKYCHD-UHFFFAOYSA-N 2 2 289.398 1.508 10 30 CDEELP C=CCN1CC[C@@H]([NH+]2CCC(CC)([NH+](C)C)CC2)C1=O ZINC000640016099 373992217 /nfs/dbraw/zinc/99/22/17/373992217.db2.gz UBFXMMWKZKYZFC-CQSZACIVSA-N 2 2 279.428 1.580 10 30 CDEELP C=CCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000448023744 390915203 /nfs/dbraw/zinc/91/52/03/390915203.db2.gz UVOUURUBFXHPGM-UHFFFAOYSA-N 2 2 281.444 1.339 10 30 CDEELP C=CCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000448023744 390915204 /nfs/dbraw/zinc/91/52/04/390915204.db2.gz UVOUURUBFXHPGM-UHFFFAOYSA-N 2 2 281.444 1.339 10 30 CDEELP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC001664712368 1172895096 /nfs/dbraw/zinc/89/50/96/1172895096.db2.gz IRQKCLLGVNXZKF-OAHLLOKOSA-N 2 2 298.427 1.321 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000040490916 174292001 /nfs/dbraw/zinc/29/20/01/174292001.db2.gz RNBAUKQSAUQCPQ-UHFFFAOYSA-N 2 2 253.390 1.095 10 30 CDEELP C[C@@]([NH3+])(C#N)CCCCN1CC[NH+](C2CC2)CC1 ZINC000045320487 175359372 /nfs/dbraw/zinc/35/93/72/175359372.db2.gz GWUZVNCOSBBTEG-AWEZNQCLSA-N 2 2 250.390 1.178 10 30 CDEELP C[C@@]([NH3+])(C#N)CCCC[NH+]1CCN(C2CC2)CC1 ZINC000045320487 175359374 /nfs/dbraw/zinc/35/93/74/175359374.db2.gz GWUZVNCOSBBTEG-AWEZNQCLSA-N 2 2 250.390 1.178 10 30 CDEELP C=CC[C@@]1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000662933191 424563068 /nfs/dbraw/zinc/56/30/68/424563068.db2.gz IEGCGKQVWVCDQQ-FZMZJTMJSA-N 2 2 262.357 1.296 10 30 CDEELP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1C#N ZINC000575001489 295087453 /nfs/dbraw/zinc/08/74/53/295087453.db2.gz GLKUDVRIBCPPNZ-UHFFFAOYSA-N 2 2 259.353 1.749 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001670173355 1173659641 /nfs/dbraw/zinc/65/96/41/1173659641.db2.gz BPIXQRBMLKPSKH-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP C=CCC(C)(C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423140743 330172279 /nfs/dbraw/zinc/17/22/79/330172279.db2.gz ZKZZZBXXYCQDHI-KGLIPLIRSA-N 2 2 252.402 1.945 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001272289026 1161063789 /nfs/dbraw/zinc/06/37/89/1161063789.db2.gz FYZFLMRRJPGECX-GJZGRUSLSA-N 2 2 288.395 1.171 10 30 CDEELP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001716662417 1180350608 /nfs/dbraw/zinc/35/06/08/1180350608.db2.gz HFSVSTGTHMWKBN-HUUCEWRRSA-N 2 2 279.428 1.321 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001716662417 1180350616 /nfs/dbraw/zinc/35/06/16/1180350616.db2.gz HFSVSTGTHMWKBN-HUUCEWRRSA-N 2 2 279.428 1.321 10 30 CDEELP C=CC[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731268516 1182286805 /nfs/dbraw/zinc/28/68/05/1182286805.db2.gz QIBRHEBDWUTETK-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP C=CC[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731268516 1182286812 /nfs/dbraw/zinc/28/68/12/1182286812.db2.gz QIBRHEBDWUTETK-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000069172122 523828089 /nfs/dbraw/zinc/82/80/89/523828089.db2.gz YMCBLBDKUAPZIL-MRXNPFEDSA-N 2 2 273.380 1.759 10 30 CDEELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000069172122 523828094 /nfs/dbraw/zinc/82/80/94/523828094.db2.gz YMCBLBDKUAPZIL-MRXNPFEDSA-N 2 2 273.380 1.759 10 30 CDEELP N#Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccn1 ZINC000068754632 526549428 /nfs/dbraw/zinc/54/94/28/526549428.db2.gz PJXKDNVENQDXRX-UHFFFAOYSA-N 2 2 255.325 1.720 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186846 613781759 /nfs/dbraw/zinc/78/17/59/613781759.db2.gz RWHHKZAAINECKP-AWEZNQCLSA-N 2 2 290.411 1.663 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186846 613781761 /nfs/dbraw/zinc/78/17/61/613781761.db2.gz RWHHKZAAINECKP-AWEZNQCLSA-N 2 2 290.411 1.663 10 30 CDEELP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(C#N)ccn1 ZINC000902762599 625296461 /nfs/dbraw/zinc/29/64/61/625296461.db2.gz OYHNYVNFYPEJPW-CYBMUJFWSA-N 2 2 288.395 1.451 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001271943032 1160378401 /nfs/dbraw/zinc/37/84/01/1160378401.db2.gz XLZMKUROCAOTQQ-ZDUSSCGKSA-N 2 2 264.373 1.190 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001272289025 1161063632 /nfs/dbraw/zinc/06/36/32/1161063632.db2.gz FYZFLMRRJPGECX-CABCVRRESA-N 2 2 288.395 1.171 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001569549804 1169920254 /nfs/dbraw/zinc/92/02/54/1169920254.db2.gz IEUGXMOTTDFYBV-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001570378034 1170146673 /nfs/dbraw/zinc/14/66/73/1170146673.db2.gz KSSLZGSXGTYDNI-UHFFFAOYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001570461412 1170163496 /nfs/dbraw/zinc/16/34/96/1170163496.db2.gz ZNPRQJZKARPIAY-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C#CC[NH2+][C@@H](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001570469758 1170167072 /nfs/dbraw/zinc/16/70/72/1170167072.db2.gz QTMUUZZGTDMDDQ-AWEZNQCLSA-N 2 2 298.390 1.303 10 30 CDEELP C=CCC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001570803174 1170282148 /nfs/dbraw/zinc/28/21/48/1170282148.db2.gz KSDPJHHYOOGSSL-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001689909735 1175302947 /nfs/dbraw/zinc/30/29/47/1175302947.db2.gz SHLVOKZEQAZCBI-UKRRQHHQSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504794 1175482798 /nfs/dbraw/zinc/48/27/98/1175482798.db2.gz INJQIFDTIIXIDQ-UONOGXRCSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504794 1175482800 /nfs/dbraw/zinc/48/28/00/1175482800.db2.gz INJQIFDTIIXIDQ-UONOGXRCSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690689085 1175545236 /nfs/dbraw/zinc/54/52/36/1175545236.db2.gz HQBURISMGHDOJR-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001690950855 1175623794 /nfs/dbraw/zinc/62/37/94/1175623794.db2.gz CUXXLRWAAKXDPB-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001690950855 1175623798 /nfs/dbraw/zinc/62/37/98/1175623798.db2.gz CUXXLRWAAKXDPB-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691933078 1175653684 /nfs/dbraw/zinc/65/36/84/1175653684.db2.gz SGDHHFJQYLVKAZ-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001692217571 1175703950 /nfs/dbraw/zinc/70/39/50/1175703950.db2.gz MORSIQJUNOGURB-CYBMUJFWSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001698587787 1175858975 /nfs/dbraw/zinc/85/89/75/1175858975.db2.gz KWVVHYLBOBNHBQ-ZDUSSCGKSA-N 2 2 276.384 1.071 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001698587787 1175858980 /nfs/dbraw/zinc/85/89/80/1175858980.db2.gz KWVVHYLBOBNHBQ-ZDUSSCGKSA-N 2 2 276.384 1.071 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698764674 1175924175 /nfs/dbraw/zinc/92/41/75/1175924175.db2.gz VZIPYLSIUZKKBS-JHJVBQTASA-N 2 2 276.384 1.052 10 30 CDEELP C=CC[NH2+]C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699318318 1176219387 /nfs/dbraw/zinc/21/93/87/1176219387.db2.gz ZIFQTTUTWRQEAE-IHVVCDCBSA-N 2 2 262.357 1.282 10 30 CDEELP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001707106393 1177952903 /nfs/dbraw/zinc/95/29/03/1177952903.db2.gz FTAJXIADXVJINW-UONOGXRCSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001707106393 1177952910 /nfs/dbraw/zinc/95/29/10/1177952910.db2.gz FTAJXIADXVJINW-UONOGXRCSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[N@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001713741177 1178730586 /nfs/dbraw/zinc/73/05/86/1178730586.db2.gz GJLRPPDBAYIPHX-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C#CC[N@@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001713741177 1178730590 /nfs/dbraw/zinc/73/05/90/1178730590.db2.gz GJLRPPDBAYIPHX-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714694441 1179338474 /nfs/dbraw/zinc/33/84/74/1179338474.db2.gz IXKDHWVVIFSIBP-ZDUSSCGKSA-N 2 2 284.363 1.408 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001715042431 1179523994 /nfs/dbraw/zinc/52/39/94/1179523994.db2.gz CDOKNIGBIVMKCQ-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001715042431 1179523999 /nfs/dbraw/zinc/52/39/99/1179523999.db2.gz CDOKNIGBIVMKCQ-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001715423474 1179663583 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CC#CC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487168 1180248634 /nfs/dbraw/zinc/24/86/34/1180248634.db2.gz JEBMJTFYVJODOO-ZDUSSCGKSA-N 2 2 284.363 1.408 10 30 CDEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716874339 1180449480 /nfs/dbraw/zinc/44/94/80/1180449480.db2.gz BDBNBLKZSZJKAB-HNNXBMFYSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001723875618 1181614127 /nfs/dbraw/zinc/61/41/27/1181614127.db2.gz MMQITQMFAIWMEC-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001724857908 1181778330 /nfs/dbraw/zinc/77/83/30/1181778330.db2.gz OZFGSNMJROVJLA-UHFFFAOYSA-N 2 2 276.384 1.101 10 30 CDEELP C#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001724857908 1181778334 /nfs/dbraw/zinc/77/83/34/1181778334.db2.gz OZFGSNMJROVJLA-UHFFFAOYSA-N 2 2 276.384 1.101 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001731379396 1182346788 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CDEELP C=C(C)CN(CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335647995 959951594 /nfs/dbraw/zinc/95/15/94/959951594.db2.gz ZNXWOORMAVWBCN-UHFFFAOYSA-N 2 2 268.405 1.017 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001323036048 960414443 /nfs/dbraw/zinc/41/44/43/960414443.db2.gz PLZUSQHKAAJNGC-HNNXBMFYSA-N 2 2 285.391 1.738 10 30 CDEELP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001498313116 973824433 /nfs/dbraw/zinc/82/44/33/973824433.db2.gz ZRZJHNVSCGCTSK-GJZGRUSLSA-N 2 2 290.411 1.540 10 30 CDEELP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001498313116 973824440 /nfs/dbraw/zinc/82/44/40/973824440.db2.gz ZRZJHNVSCGCTSK-GJZGRUSLSA-N 2 2 290.411 1.540 10 30 CDEELP C=CCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001499471007 974258305 /nfs/dbraw/zinc/25/83/05/974258305.db2.gz CAABZTPBLHTPQU-UHFFFAOYSA-N 2 2 262.357 1.088 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001502800719 974786027 /nfs/dbraw/zinc/78/60/27/974786027.db2.gz SCHNZDNJGMZWPS-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001502800719 974786035 /nfs/dbraw/zinc/78/60/35/974786035.db2.gz SCHNZDNJGMZWPS-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001506683939 975203064 /nfs/dbraw/zinc/20/30/64/975203064.db2.gz WENYFGRHAJRQBO-OAHLLOKOSA-N 2 2 299.418 1.188 10 30 CDEELP C#CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001506683939 975203066 /nfs/dbraw/zinc/20/30/66/975203066.db2.gz WENYFGRHAJRQBO-OAHLLOKOSA-N 2 2 299.418 1.188 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001507384353 975442309 /nfs/dbraw/zinc/44/23/09/975442309.db2.gz FDOUQAIULXYGNX-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001507384353 975442315 /nfs/dbraw/zinc/44/23/15/975442315.db2.gz FDOUQAIULXYGNX-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001401275559 975559436 /nfs/dbraw/zinc/55/94/36/975559436.db2.gz ZLWIOJISYZJZAA-CYBMUJFWSA-N 2 2 298.818 1.756 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001379280785 975741918 /nfs/dbraw/zinc/74/19/18/975741918.db2.gz WAPUBXKFIWTOSC-LLVKDONJSA-N 2 2 298.818 1.876 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001492889607 976909843 /nfs/dbraw/zinc/90/98/43/976909843.db2.gz NUSCZRNXHANXTO-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001492889607 976909857 /nfs/dbraw/zinc/90/98/57/976909857.db2.gz NUSCZRNXHANXTO-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001674499989 1173955833 /nfs/dbraw/zinc/95/58/33/1173955833.db2.gz UFVVUPROIXQJFC-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001674499989 1173955840 /nfs/dbraw/zinc/95/58/40/1173955840.db2.gz UFVVUPROIXQJFC-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP Cc1cn2cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc2[nH+]1 ZINC000594439776 342906761 /nfs/dbraw/zinc/90/67/61/342906761.db2.gz ZMUGGNMKAKKKBU-ZDUSSCGKSA-N 2 2 285.351 1.993 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCOC2CCCC2)CC1 ZINC000104442609 186003850 /nfs/dbraw/zinc/00/38/50/186003850.db2.gz KALWPHKYQXOAGO-UHFFFAOYSA-N 2 2 250.386 1.633 10 30 CDEELP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000422988104 358066603 /nfs/dbraw/zinc/06/66/03/358066603.db2.gz IDPYFEINABBWQX-WFASDCNBSA-N 2 2 259.353 1.667 10 30 CDEELP C=C(CC)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000358514512 367739274 /nfs/dbraw/zinc/73/92/74/367739274.db2.gz XHYBLRGQFZKTBV-UHFFFAOYSA-N 2 2 275.400 1.631 10 30 CDEELP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000422988101 374366462 /nfs/dbraw/zinc/36/64/62/374366462.db2.gz IDPYFEINABBWQX-DOMZBBRYSA-N 2 2 259.353 1.667 10 30 CDEELP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001661866457 1172458849 /nfs/dbraw/zinc/45/88/49/1172458849.db2.gz NPUGQUGEPGXCIG-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001661866457 1172458855 /nfs/dbraw/zinc/45/88/55/1172458855.db2.gz NPUGQUGEPGXCIG-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001661866457 1172458859 /nfs/dbraw/zinc/45/88/59/1172458859.db2.gz NPUGQUGEPGXCIG-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001661866457 1172458862 /nfs/dbraw/zinc/45/88/62/1172458862.db2.gz NPUGQUGEPGXCIG-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043340 285042638 /nfs/dbraw/zinc/04/26/38/285042638.db2.gz YLEPPFVSJWCLMJ-UKRRQHHQSA-N 2 2 292.427 1.211 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043340 285042639 /nfs/dbraw/zinc/04/26/39/285042639.db2.gz YLEPPFVSJWCLMJ-UKRRQHHQSA-N 2 2 292.427 1.211 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374208809 391153988 /nfs/dbraw/zinc/15/39/88/391153988.db2.gz NHDUOUYOKKSDGR-UHFFFAOYSA-N 2 2 289.383 1.351 10 30 CDEELP N#CCN1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346178311 391335793 /nfs/dbraw/zinc/33/57/93/391335793.db2.gz PLGXBRGOONCETD-UHFFFAOYSA-N 2 2 287.392 1.575 10 30 CDEELP Cc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)c(C#N)c[nH+]1 ZINC000333608505 391875321 /nfs/dbraw/zinc/87/53/21/391875321.db2.gz RNZOPAVLPRHCBL-HNNXBMFYSA-N 2 2 256.353 1.842 10 30 CDEELP C=CC[C@]1(C(=O)NCCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662691553 413322794 /nfs/dbraw/zinc/32/27/94/413322794.db2.gz SWAVXUDGINCLNH-OAHLLOKOSA-N 2 2 276.384 1.478 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665663839 1173034214 /nfs/dbraw/zinc/03/42/14/1173034214.db2.gz FOZRBQGZYGPEDE-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665663839 1173034219 /nfs/dbraw/zinc/03/42/19/1173034219.db2.gz FOZRBQGZYGPEDE-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCC[NH+](CC)CC)CC1 ZINC000037210993 173032462 /nfs/dbraw/zinc/03/24/62/173032462.db2.gz NUUYGZSDZYHUJI-UHFFFAOYSA-N 3 2 251.418 1.406 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001665803671 1173063776 /nfs/dbraw/zinc/06/37/76/1173063776.db2.gz AYULZDQDUWHMRD-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001665803671 1173063782 /nfs/dbraw/zinc/06/37/82/1173063782.db2.gz AYULZDQDUWHMRD-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCOCCC(C)C)CC1 ZINC000045094250 175307053 /nfs/dbraw/zinc/30/70/53/175307053.db2.gz SERXYQDQNUITHZ-UHFFFAOYSA-N 2 2 252.402 1.736 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+](CCC)CC1 ZINC000045178751 175324223 /nfs/dbraw/zinc/32/42/23/175324223.db2.gz SHMJTGODHINPEY-OAHLLOKOSA-N 2 2 266.433 1.686 10 30 CDEELP CCCN[C@@](C)(C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000045181007 175325206 /nfs/dbraw/zinc/32/52/06/175325206.db2.gz LVEDAJLAHOZDQQ-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045321035 175359293 /nfs/dbraw/zinc/35/92/93/175359293.db2.gz HAUFBRZULMSSMX-INIZCTEOSA-N 2 2 294.443 1.636 10 30 CDEELP C=CC[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000184278586 262275999 /nfs/dbraw/zinc/27/59/99/262275999.db2.gz HAHIDJPWAKWXCH-AWEZNQCLSA-N 2 2 257.337 1.899 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367852023 267122424 /nfs/dbraw/zinc/12/24/24/267122424.db2.gz YFAABTGDFCBZEV-MRXNPFEDSA-N 2 2 279.428 1.439 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367852023 267122426 /nfs/dbraw/zinc/12/24/26/267122426.db2.gz YFAABTGDFCBZEV-MRXNPFEDSA-N 2 2 279.428 1.439 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367852023 267122429 /nfs/dbraw/zinc/12/24/29/267122429.db2.gz YFAABTGDFCBZEV-MRXNPFEDSA-N 2 2 279.428 1.439 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367852023 267122431 /nfs/dbraw/zinc/12/24/31/267122431.db2.gz YFAABTGDFCBZEV-MRXNPFEDSA-N 2 2 279.428 1.439 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001667346960 1173257229 /nfs/dbraw/zinc/25/72/29/1173257229.db2.gz UFQJJUHFAAJVCG-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP Cn1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289898529 289151847 /nfs/dbraw/zinc/15/18/47/289151847.db2.gz UCBRPMWZCGQXFX-UHFFFAOYSA-N 2 2 297.406 1.856 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001673922526 1173897589 /nfs/dbraw/zinc/89/75/89/1173897589.db2.gz AIKWDLYXVYLZKL-DZGCQCFKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCNC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378060521 329038616 /nfs/dbraw/zinc/03/86/16/329038616.db2.gz PIAOOXQTYSWODD-NSHDSACASA-N 2 2 262.357 1.280 10 30 CDEELP C=CCNC(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378060521 329038618 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C=CC[NH+]1CC([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001734131523 1183670273 /nfs/dbraw/zinc/67/02/73/1183670273.db2.gz QLBLUQGHSFRDOY-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001691728488 1166552577 /nfs/dbraw/zinc/55/25/77/1166552577.db2.gz HTKBJACAAHSLHA-ZNMIVQPWSA-N 2 2 290.411 1.989 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001691728488 1166552582 /nfs/dbraw/zinc/55/25/82/1166552582.db2.gz HTKBJACAAHSLHA-ZNMIVQPWSA-N 2 2 290.411 1.989 10 30 CDEELP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1C#N ZINC000925836534 830054034 /nfs/dbraw/zinc/05/40/34/830054034.db2.gz BWPNIKSSCVWMNZ-BMQFZULRSA-N 2 2 267.376 1.953 10 30 CDEELP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000865573926 830393454 /nfs/dbraw/zinc/39/34/54/830393454.db2.gz OONDLLXWKANACQ-AWEZNQCLSA-N 2 2 295.390 1.994 10 30 CDEELP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccccc3C#N)C[C@]2(C)C1 ZINC000933742754 832232997 /nfs/dbraw/zinc/23/29/97/832232997.db2.gz RQDYVOVOLBJHAJ-WBVHZDCISA-N 2 2 285.391 1.821 10 30 CDEELP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccccc3C#N)C[C@]2(C)C1 ZINC000933742754 832233011 /nfs/dbraw/zinc/23/30/11/832233011.db2.gz RQDYVOVOLBJHAJ-WBVHZDCISA-N 2 2 285.391 1.821 10 30 CDEELP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccccc3C#N)C[C@]2(C)C1 ZINC000933742754 832233017 /nfs/dbraw/zinc/23/30/17/832233017.db2.gz RQDYVOVOLBJHAJ-WBVHZDCISA-N 2 2 285.391 1.821 10 30 CDEELP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccccc3C#N)C[C@]2(C)C1 ZINC000933742754 832233032 /nfs/dbraw/zinc/23/30/32/832233032.db2.gz RQDYVOVOLBJHAJ-WBVHZDCISA-N 2 2 285.391 1.821 10 30 CDEELP C=CC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292910 834894113 /nfs/dbraw/zinc/89/41/13/834894113.db2.gz UMGQFNMPRCIADY-OCCSQVGLSA-N 2 2 265.401 1.365 10 30 CDEELP C=CC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292910 834894115 /nfs/dbraw/zinc/89/41/15/834894115.db2.gz UMGQFNMPRCIADY-OCCSQVGLSA-N 2 2 265.401 1.365 10 30 CDEELP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001277314053 1167384130 /nfs/dbraw/zinc/38/41/30/1167384130.db2.gz MGRRTCFGMDDTOU-STQMWFEESA-N 2 2 276.384 1.096 10 30 CDEELP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001277314053 1167384135 /nfs/dbraw/zinc/38/41/35/1167384135.db2.gz MGRRTCFGMDDTOU-STQMWFEESA-N 2 2 276.384 1.096 10 30 CDEELP C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931277750 834942406 /nfs/dbraw/zinc/94/24/06/834942406.db2.gz SDYDLUYTBSDITL-VQFNDLOPSA-N 2 2 297.402 1.488 10 30 CDEELP C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931277750 834942426 /nfs/dbraw/zinc/94/24/26/834942426.db2.gz SDYDLUYTBSDITL-VQFNDLOPSA-N 2 2 297.402 1.488 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000876727657 835509810 /nfs/dbraw/zinc/50/98/10/835509810.db2.gz QBXOKIVDGDQLDE-LLVKDONJSA-N 2 2 282.775 1.470 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001483696470 912876799 /nfs/dbraw/zinc/87/67/99/912876799.db2.gz KGHGQWGHSFDMKB-CYBMUJFWSA-N 2 2 276.384 1.417 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266553753 895339245 /nfs/dbraw/zinc/33/92/45/895339245.db2.gz VQNIOJRNCMKKRA-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266553753 895339262 /nfs/dbraw/zinc/33/92/62/895339262.db2.gz VQNIOJRNCMKKRA-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001266878307 896267373 /nfs/dbraw/zinc/26/73/73/896267373.db2.gz QXNKNFKUARRBAX-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266947556 896413098 /nfs/dbraw/zinc/41/30/98/896413098.db2.gz BPUPPLJOVLEESP-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267052951 896643082 /nfs/dbraw/zinc/64/30/82/896643082.db2.gz JKBNPGQBHCJXOR-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267113090 896826045 /nfs/dbraw/zinc/82/60/45/896826045.db2.gz CYFKZRBWVFGQTN-AWEZNQCLSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267113090 896826034 /nfs/dbraw/zinc/82/60/34/896826034.db2.gz CYFKZRBWVFGQTN-AWEZNQCLSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267392696 897857031 /nfs/dbraw/zinc/85/70/31/897857031.db2.gz FGYVBUQZJONSQM-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001268042601 900799933 /nfs/dbraw/zinc/79/99/33/900799933.db2.gz UXPQIJPTZCFQIR-UHFFFAOYSA-N 2 2 290.411 1.868 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567738003 1168941745 /nfs/dbraw/zinc/94/17/45/1168941745.db2.gz MAOPMYAYNRJMTC-HUUCEWRRSA-N 2 2 288.395 1.248 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567738003 1168941752 /nfs/dbraw/zinc/94/17/52/1168941752.db2.gz MAOPMYAYNRJMTC-HUUCEWRRSA-N 2 2 288.395 1.248 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481652503 901719217 /nfs/dbraw/zinc/71/92/17/901719217.db2.gz QBPJAFSWEAFULO-GFCCVEGCSA-N 2 2 276.384 1.355 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001268295311 901773789 /nfs/dbraw/zinc/77/37/89/901773789.db2.gz RPZBYSIPEVPRLI-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268376805 901961542 /nfs/dbraw/zinc/96/15/42/901961542.db2.gz DEJYYHLUROFAQI-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC ZINC001269182329 903511962 /nfs/dbraw/zinc/51/19/62/903511962.db2.gz OGXQOYZHRSCRCC-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001270460435 904655839 /nfs/dbraw/zinc/65/58/39/904655839.db2.gz JTLSXZFDEAPCED-ZDUSSCGKSA-N 2 2 286.379 1.866 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567842905 1169012661 /nfs/dbraw/zinc/01/26/61/1169012661.db2.gz TUNQSEQXVPMVIG-CQSZACIVSA-N 2 2 290.411 1.848 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482334257 905100197 /nfs/dbraw/zinc/10/01/97/905100197.db2.gz OHNQLRCBWLSCEH-MGPQQGTHSA-N 2 2 290.411 1.536 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482391646 905287995 /nfs/dbraw/zinc/28/79/95/905287995.db2.gz BXZBUJPSFFWNQA-CQSZACIVSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001271590435 906532989 /nfs/dbraw/zinc/53/29/89/906532989.db2.gz AFKLBCZDSDGCKY-AWEZNQCLSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCCCCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357582647 906916469 /nfs/dbraw/zinc/91/64/69/906916469.db2.gz OYFZQRAWWIBERA-UHFFFAOYSA-N 2 2 296.459 1.797 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485533150 917071876 /nfs/dbraw/zinc/07/18/76/917071876.db2.gz OJLOMDFELVGPNR-STQMWFEESA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485533150 917071891 /nfs/dbraw/zinc/07/18/91/917071891.db2.gz OJLOMDFELVGPNR-STQMWFEESA-N 2 2 299.846 1.517 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001486136886 920742968 /nfs/dbraw/zinc/74/29/68/920742968.db2.gz UCGVAOGVYCFSTL-ZIAGYGMSSA-N 2 2 276.384 1.428 10 30 CDEELP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001486185883 920789715 /nfs/dbraw/zinc/78/97/15/920789715.db2.gz DVHUQMBHRVPQBX-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001486185883 920789730 /nfs/dbraw/zinc/78/97/30/920789730.db2.gz DVHUQMBHRVPQBX-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001491060816 936847781 /nfs/dbraw/zinc/84/77/81/936847781.db2.gz XVNKJIMHOWAVRS-MELADBBJSA-N 2 2 276.384 1.647 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001494779468 926779564 /nfs/dbraw/zinc/77/95/64/926779564.db2.gz ZKQBMUYNWSFHIG-CHWSQXEVSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001494779468 926779569 /nfs/dbraw/zinc/77/95/69/926779569.db2.gz ZKQBMUYNWSFHIG-CHWSQXEVSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494779468 926779574 /nfs/dbraw/zinc/77/95/74/926779574.db2.gz ZKQBMUYNWSFHIG-CHWSQXEVSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494779468 926779583 /nfs/dbraw/zinc/77/95/83/926779583.db2.gz ZKQBMUYNWSFHIG-CHWSQXEVSA-N 2 2 276.384 1.355 10 30 CDEELP C#CCC[NH2+][C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001274751485 931567202 /nfs/dbraw/zinc/56/72/02/931567202.db2.gz BVHNVSXCTOULGC-ZDUSSCGKSA-N 2 2 284.363 1.456 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001280747912 932054266 /nfs/dbraw/zinc/05/42/66/932054266.db2.gz XUAGULHNHGRLBK-CQSZACIVSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001280747912 932054268 /nfs/dbraw/zinc/05/42/68/932054268.db2.gz XUAGULHNHGRLBK-CQSZACIVSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001280747912 932054272 /nfs/dbraw/zinc/05/42/72/932054272.db2.gz XUAGULHNHGRLBK-CQSZACIVSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001280747912 932054276 /nfs/dbraw/zinc/05/42/76/932054276.db2.gz XUAGULHNHGRLBK-CQSZACIVSA-N 2 2 288.395 1.336 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC001120590374 937814609 /nfs/dbraw/zinc/81/46/09/937814609.db2.gz XIVYYSIRUQBGRI-INIZCTEOSA-N 2 2 264.413 1.615 10 30 CDEELP CC#CC[NH2+]CCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001283272303 942869196 /nfs/dbraw/zinc/86/91/96/942869196.db2.gz TUPVQZUCVMXLBO-AWEZNQCLSA-N 2 2 290.411 1.251 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705900 944476772 /nfs/dbraw/zinc/47/67/72/944476772.db2.gz OJGKPZXASUZFPB-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705900 944476775 /nfs/dbraw/zinc/47/67/75/944476775.db2.gz OJGKPZXASUZFPB-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001277986946 944522985 /nfs/dbraw/zinc/52/29/85/944522985.db2.gz DKCSLXJXUDYKFC-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001316639139 953475990 /nfs/dbraw/zinc/47/59/90/953475990.db2.gz GDCYOVQYROLESS-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001422368161 955967615 /nfs/dbraw/zinc/96/76/15/955967615.db2.gz KEJZQTYYJNTRJK-VXGBXAGGSA-N 2 2 284.791 1.509 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001317192953 957334575 /nfs/dbraw/zinc/33/45/75/957334575.db2.gz JFSDVRBAMUOHSB-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001317244529 957375172 /nfs/dbraw/zinc/37/51/72/957375172.db2.gz BXQFIWDOTNXOJT-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001317244529 957375179 /nfs/dbraw/zinc/37/51/79/957375179.db2.gz BXQFIWDOTNXOJT-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001318862140 958283372 /nfs/dbraw/zinc/28/33/72/958283372.db2.gz VUIVCTZFPPMCLJ-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001319943625 958806163 /nfs/dbraw/zinc/80/61/63/958806163.db2.gz KIVILWPIQLGMSY-MCIONIFRSA-N 2 2 290.411 1.440 10 30 CDEELP CC#CC[N@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320055760 958909370 /nfs/dbraw/zinc/90/93/70/958909370.db2.gz RVVXNFZGRZTMBK-CQSZACIVSA-N 2 2 276.384 1.248 10 30 CDEELP CC#CC[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320055760 958909378 /nfs/dbraw/zinc/90/93/78/958909378.db2.gz RVVXNFZGRZTMBK-CQSZACIVSA-N 2 2 276.384 1.248 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001320162263 958982306 /nfs/dbraw/zinc/98/23/06/958982306.db2.gz CTJCUCAFYQDERW-DGCLKSJQSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320438424 959174838 /nfs/dbraw/zinc/17/48/38/959174838.db2.gz ARHMULDMCXKVCU-LLVKDONJSA-N 2 2 284.791 1.579 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320438424 959174845 /nfs/dbraw/zinc/17/48/45/959174845.db2.gz ARHMULDMCXKVCU-LLVKDONJSA-N 2 2 284.791 1.579 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001322541008 960252502 /nfs/dbraw/zinc/25/25/02/960252502.db2.gz WFVFDYMVBFMPHF-UHFFFAOYSA-N 2 2 284.791 1.533 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001322541008 960252511 /nfs/dbraw/zinc/25/25/11/960252511.db2.gz WFVFDYMVBFMPHF-UHFFFAOYSA-N 2 2 284.791 1.533 10 30 CDEELP C=CCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC001560199757 960878779 /nfs/dbraw/zinc/87/87/79/960878779.db2.gz CJVHDULNDPCHFX-GJZGRUSLSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC001560199757 960878796 /nfs/dbraw/zinc/87/87/96/960878796.db2.gz CJVHDULNDPCHFX-GJZGRUSLSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC001560199757 960878804 /nfs/dbraw/zinc/87/88/04/960878804.db2.gz CJVHDULNDPCHFX-GJZGRUSLSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC001560199757 960878820 /nfs/dbraw/zinc/87/88/20/960878820.db2.gz CJVHDULNDPCHFX-GJZGRUSLSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC001560199758 960881261 /nfs/dbraw/zinc/88/12/61/960881261.db2.gz CJVHDULNDPCHFX-HUUCEWRRSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC001560199758 960881280 /nfs/dbraw/zinc/88/12/80/960881280.db2.gz CJVHDULNDPCHFX-HUUCEWRRSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC001560199758 960881301 /nfs/dbraw/zinc/88/13/01/960881301.db2.gz CJVHDULNDPCHFX-HUUCEWRRSA-N 2 2 270.417 1.356 10 30 CDEELP C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC001560199758 960881320 /nfs/dbraw/zinc/88/13/20/960881320.db2.gz CJVHDULNDPCHFX-HUUCEWRRSA-N 2 2 270.417 1.356 10 30 CDEELP CC#CC[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001495753211 972623170 /nfs/dbraw/zinc/62/31/70/972623170.db2.gz WFWOCIJGQOHVQC-UONOGXRCSA-N 2 2 276.384 1.199 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001495953982 972717934 /nfs/dbraw/zinc/71/79/34/972717934.db2.gz VYPCZQCDXGQXGC-UHFFFAOYSA-N 2 2 276.384 1.167 10 30 CDEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569689699 1169967345 /nfs/dbraw/zinc/96/73/45/1169967345.db2.gz SKLCOVIIVBCUBH-HNNXBMFYSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001506927386 975264234 /nfs/dbraw/zinc/26/42/34/975264234.db2.gz HVIHIPOYENRCKI-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001506947575 975269599 /nfs/dbraw/zinc/26/95/99/975269599.db2.gz YFKWJQMBYZSSKZ-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001399903329 976737239 /nfs/dbraw/zinc/73/72/39/976737239.db2.gz RICRNVHSSGQIKS-CYBMUJFWSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001399903329 976737247 /nfs/dbraw/zinc/73/72/47/976737247.db2.gz RICRNVHSSGQIKS-CYBMUJFWSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001399903329 976737256 /nfs/dbraw/zinc/73/72/56/976737256.db2.gz RICRNVHSSGQIKS-CYBMUJFWSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001399903329 976737259 /nfs/dbraw/zinc/73/72/59/976737259.db2.gz RICRNVHSSGQIKS-CYBMUJFWSA-N 2 2 287.835 1.660 10 30 CDEELP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001675008703 1174057909 /nfs/dbraw/zinc/05/79/09/1174057909.db2.gz ITXHFSZOTMVYBI-KBPBESRZSA-N 2 2 276.384 1.294 10 30 CDEELP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001675008703 1174057921 /nfs/dbraw/zinc/05/79/21/1174057921.db2.gz ITXHFSZOTMVYBI-KBPBESRZSA-N 2 2 276.384 1.294 10 30 CDEELP C=C(C)CC[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001570564362 1170191426 /nfs/dbraw/zinc/19/14/26/1170191426.db2.gz XFEQCXKCOCGNQM-UHFFFAOYSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(C)CC[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001570564362 1170191432 /nfs/dbraw/zinc/19/14/32/1170191432.db2.gz XFEQCXKCOCGNQM-UHFFFAOYSA-N 2 2 290.411 1.793 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000600727114 342245322 /nfs/dbraw/zinc/24/53/22/342245322.db2.gz ONMLVVPRLUHPFD-CYBMUJFWSA-N 2 2 262.357 1.308 10 30 CDEELP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594500320 342914019 /nfs/dbraw/zinc/91/40/19/342914019.db2.gz NRTRKGVVLGDPIK-UHFFFAOYSA-N 2 2 289.423 1.892 10 30 CDEELP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594500320 342914020 /nfs/dbraw/zinc/91/40/20/342914020.db2.gz NRTRKGVVLGDPIK-UHFFFAOYSA-N 2 2 289.423 1.892 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594923553 342988432 /nfs/dbraw/zinc/98/84/32/342988432.db2.gz ZCYJPBUUXAOWHR-BNOWGMLFSA-N 2 2 266.385 1.424 10 30 CDEELP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccnc(C#N)c3)CC2)C1 ZINC000610995056 346567095 /nfs/dbraw/zinc/56/70/95/346567095.db2.gz XNWVKSFSNXIXNN-KRWDZBQOSA-N 2 2 299.422 1.165 10 30 CDEELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccnc(C#N)c3)CC2)C1 ZINC000610995056 346567099 /nfs/dbraw/zinc/56/70/99/346567099.db2.gz XNWVKSFSNXIXNN-KRWDZBQOSA-N 2 2 299.422 1.165 10 30 CDEELP N#Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334443551 357579796 /nfs/dbraw/zinc/57/97/96/357579796.db2.gz FBKNAXMXNPKCCV-ZDUSSCGKSA-N 2 2 252.321 1.928 10 30 CDEELP N#Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334443551 357579801 /nfs/dbraw/zinc/57/98/01/357579801.db2.gz FBKNAXMXNPKCCV-ZDUSSCGKSA-N 2 2 252.321 1.928 10 30 CDEELP C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001660748794 1172271348 /nfs/dbraw/zinc/27/13/48/1172271348.db2.gz PGDURGCOLHUEBJ-ILXRZTDVSA-N 2 2 253.434 1.955 10 30 CDEELP C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001660748794 1172271355 /nfs/dbraw/zinc/27/13/55/1172271355.db2.gz PGDURGCOLHUEBJ-ILXRZTDVSA-N 2 2 253.434 1.955 10 30 CDEELP C=CCCC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051702 374119444 /nfs/dbraw/zinc/11/94/44/374119444.db2.gz WPTUOGVVNBEHEE-CQSZACIVSA-N 2 2 267.417 1.437 10 30 CDEELP C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051702 374119448 /nfs/dbraw/zinc/11/94/48/374119448.db2.gz WPTUOGVVNBEHEE-CQSZACIVSA-N 2 2 267.417 1.437 10 30 CDEELP C[C@H](C[NH2+]Cc1nc(C#N)cs1)C[NH+]1CCCC1 ZINC000352854096 374361216 /nfs/dbraw/zinc/36/12/16/374361216.db2.gz PSZKCVOPUXGXEE-LLVKDONJSA-N 2 2 264.398 1.836 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000449398636 374808425 /nfs/dbraw/zinc/80/84/25/374808425.db2.gz YLKBRFPWQQPXGL-OAHLLOKOSA-N 2 2 291.370 1.634 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000449398636 374808434 /nfs/dbraw/zinc/80/84/34/374808434.db2.gz YLKBRFPWQQPXGL-OAHLLOKOSA-N 2 2 291.370 1.634 10 30 CDEELP C=C(Cl)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136072817 375755333 /nfs/dbraw/zinc/75/53/33/375755333.db2.gz PGOUHTLQBWWMSE-CQSZACIVSA-N 2 2 271.836 1.841 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564085046 375735535 /nfs/dbraw/zinc/73/55/35/375735535.db2.gz CXUHOZFGROCWGN-MRXNPFEDSA-N 2 2 277.412 1.263 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564085046 375735539 /nfs/dbraw/zinc/73/55/39/375735539.db2.gz CXUHOZFGROCWGN-MRXNPFEDSA-N 2 2 277.412 1.263 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001663005307 1172627231 /nfs/dbraw/zinc/62/72/31/1172627231.db2.gz UNQWWIPQEAGVAC-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CC[C@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC[NH2+]1 ZINC000662690642 413318853 /nfs/dbraw/zinc/31/88/53/413318853.db2.gz DAVDSUJVIYRRHL-CZUORRHYSA-N 2 2 288.395 1.814 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)c(OC)n1 ZINC001664872690 1172922053 /nfs/dbraw/zinc/92/20/53/1172922053.db2.gz HOTWSUJVHQAXEH-UHFFFAOYSA-N 2 2 261.369 1.443 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)c(OC)n1 ZINC001664872690 1172922057 /nfs/dbraw/zinc/92/20/57/1172922057.db2.gz HOTWSUJVHQAXEH-UHFFFAOYSA-N 2 2 261.369 1.443 10 30 CDEELP C=CC[C@]1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCC[NH2+]1 ZINC000662701368 413344386 /nfs/dbraw/zinc/34/43/86/413344386.db2.gz OXADFLYJRCHZNJ-MRXNPFEDSA-N 2 2 288.395 1.814 10 30 CDEELP C=CC[C@]1(C(=O)NCc2cn3c(cccc3C)[nH+]2)CCC[NH2+]1 ZINC000662726890 413388836 /nfs/dbraw/zinc/38/88/36/413388836.db2.gz JBNWLRVGBAWMAI-QGZVFWFLSA-N 2 2 298.390 1.957 10 30 CDEELP C=CC[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CCC[NH2+]1 ZINC000662741291 413412543 /nfs/dbraw/zinc/41/25/43/413412543.db2.gz YDPYAYXAHVRUPZ-INIZCTEOSA-N 2 2 284.363 1.649 10 30 CDEELP C=CCCn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nn1 ZINC000657378453 414256527 /nfs/dbraw/zinc/25/65/27/414256527.db2.gz WQNZMKDYYMMCJR-VHRNVKJDSA-N 2 2 289.427 1.959 10 30 CDEELP C=CCCn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nn1 ZINC000657378453 414256532 /nfs/dbraw/zinc/25/65/32/414256532.db2.gz WQNZMKDYYMMCJR-VHRNVKJDSA-N 2 2 289.427 1.959 10 30 CDEELP N#CC1(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CCCCC1 ZINC000040750162 174394777 /nfs/dbraw/zinc/39/47/77/174394777.db2.gz GPZYDFBJFZZMKH-AGUYFDCRSA-N 2 2 290.411 1.283 10 30 CDEELP N#CC1(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CCCCC1 ZINC000040750162 174394778 /nfs/dbraw/zinc/39/47/78/174394778.db2.gz GPZYDFBJFZZMKH-AGUYFDCRSA-N 2 2 290.411 1.283 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCN1CC[NH+](C(C)C)CC1 ZINC000045181114 175324955 /nfs/dbraw/zinc/32/49/55/175324955.db2.gz YHECXAAKBCHNHD-HNNXBMFYSA-N 2 2 266.433 1.683 10 30 CDEELP CC(C)[NH+]1CCN(CCCC[C@](C)([NH3+])C#N)CC1 ZINC000045311493 175356157 /nfs/dbraw/zinc/35/61/57/175356157.db2.gz DMXJDOYVZIPPJQ-AWEZNQCLSA-N 2 2 252.406 1.424 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001673475369 1173860501 /nfs/dbraw/zinc/86/05/01/1173860501.db2.gz ZWMGZCCPHHYBHB-CQSZACIVSA-N 2 2 290.411 1.392 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001673475369 1173860505 /nfs/dbraw/zinc/86/05/05/1173860505.db2.gz ZWMGZCCPHHYBHB-CQSZACIVSA-N 2 2 290.411 1.392 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001673475369 1173860509 /nfs/dbraw/zinc/86/05/09/1173860509.db2.gz ZWMGZCCPHHYBHB-CQSZACIVSA-N 2 2 290.411 1.392 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001673475369 1173860516 /nfs/dbraw/zinc/86/05/16/1173860516.db2.gz ZWMGZCCPHHYBHB-CQSZACIVSA-N 2 2 290.411 1.392 10 30 CDEELP C[C@H]1C[NH+]=C(NCc2cccc(-n3cc[nH+]c3)c2)N1 ZINC000262472073 330015705 /nfs/dbraw/zinc/01/57/05/330015705.db2.gz BHJQRIDKFAKNFH-NSHDSACASA-N 2 2 255.325 1.310 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483289308 1160892026 /nfs/dbraw/zinc/89/20/26/1160892026.db2.gz RMTNHJNKWCYUEK-ZDUSSCGKSA-N 2 2 278.400 1.413 10 30 CDEELP CCC[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000068758055 521690810 /nfs/dbraw/zinc/69/08/10/521690810.db2.gz QUDHWWMQRAWRQW-OAHLLOKOSA-N 2 2 258.369 1.917 10 30 CDEELP CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000068758055 521690814 /nfs/dbraw/zinc/69/08/14/521690814.db2.gz QUDHWWMQRAWRQW-OAHLLOKOSA-N 2 2 258.369 1.917 10 30 CDEELP COc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1C#CC[NH3+] ZINC000049609134 524035515 /nfs/dbraw/zinc/03/55/15/524035515.db2.gz DHPBQSZDPFDTFT-ZDUSSCGKSA-N 2 2 274.364 1.226 10 30 CDEELP COc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1C#CC[NH3+] ZINC000049609134 524035517 /nfs/dbraw/zinc/03/55/17/524035517.db2.gz DHPBQSZDPFDTFT-ZDUSSCGKSA-N 2 2 274.364 1.226 10 30 CDEELP C[C@H]1C[NH+](Cc2ccc(C#CC[NH3+])cc2F)C[C@H](C)O1 ZINC000049608446 524614343 /nfs/dbraw/zinc/61/43/43/524614343.db2.gz KOVUNIMHYQBRBK-STQMWFEESA-N 2 2 276.355 1.745 10 30 CDEELP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@H](C)O1 ZINC000049608454 524992533 /nfs/dbraw/zinc/99/25/33/524992533.db2.gz SVIWMFPBOGBFGJ-BETUJISGSA-N 2 2 276.355 1.745 10 30 CDEELP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@H](C)O1 ZINC000049608454 524992538 /nfs/dbraw/zinc/99/25/38/524992538.db2.gz SVIWMFPBOGBFGJ-BETUJISGSA-N 2 2 276.355 1.745 10 30 CDEELP N#C[C@]([NH3+])(CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069082403 526514463 /nfs/dbraw/zinc/51/44/63/526514463.db2.gz AJAUGJROLNVKNJ-HNNXBMFYSA-N 2 2 262.401 1.178 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001639427992 1166936539 /nfs/dbraw/zinc/93/65/39/1166936539.db2.gz RQQODYNHALLYDZ-UHFFFAOYSA-N 2 2 264.373 1.657 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001639427992 1166936546 /nfs/dbraw/zinc/93/65/46/1166936546.db2.gz RQQODYNHALLYDZ-UHFFFAOYSA-N 2 2 264.373 1.657 10 30 CDEELP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC001565979888 1168207580 /nfs/dbraw/zinc/20/75/80/1168207580.db2.gz KEXDFQLAWZMPKV-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001567863504 1169029702 /nfs/dbraw/zinc/02/97/02/1169029702.db2.gz BNRJSHFPHRWQCG-KBPBESRZSA-N 2 2 288.395 1.512 10 30 CDEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001567863504 1169029712 /nfs/dbraw/zinc/02/97/12/1169029712.db2.gz BNRJSHFPHRWQCG-KBPBESRZSA-N 2 2 288.395 1.512 10 30 CDEELP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001569141815 1169686712 /nfs/dbraw/zinc/68/67/12/1169686712.db2.gz YNTXTKSNNFOWBL-KGLIPLIRSA-N 2 2 276.384 1.294 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001569141815 1169686715 /nfs/dbraw/zinc/68/67/15/1169686715.db2.gz YNTXTKSNNFOWBL-KGLIPLIRSA-N 2 2 276.384 1.294 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001569811884 1170002605 /nfs/dbraw/zinc/00/26/05/1170002605.db2.gz VAJHVDTYCPHXQV-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001569811884 1170002610 /nfs/dbraw/zinc/00/26/10/1170002610.db2.gz VAJHVDTYCPHXQV-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001660784074 1172277421 /nfs/dbraw/zinc/27/74/21/1172277421.db2.gz KSWQWMSMYPEQGT-UHFFFAOYSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001662940360 1172617664 /nfs/dbraw/zinc/61/76/64/1172617664.db2.gz NTDCELSUDSACAS-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=C1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001667867197 1173332556 /nfs/dbraw/zinc/33/25/56/1173332556.db2.gz ZVCGYOGSAGHDSA-UHFFFAOYSA-N 2 2 292.427 1.126 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]ccc1OC ZINC001668882028 1173475725 /nfs/dbraw/zinc/47/57/25/1173475725.db2.gz CHVGEMUPIOLCCB-PLNGDYQASA-N 2 2 289.379 1.471 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504793 1175482471 /nfs/dbraw/zinc/48/24/71/1175482471.db2.gz INJQIFDTIIXIDQ-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504793 1175482473 /nfs/dbraw/zinc/48/24/73/1175482473.db2.gz INJQIFDTIIXIDQ-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001692185638 1175695072 /nfs/dbraw/zinc/69/50/72/1175695072.db2.gz VKCSJWXTDSAZFD-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001692185638 1175695077 /nfs/dbraw/zinc/69/50/77/1175695077.db2.gz VKCSJWXTDSAZFD-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001698559617 1175841652 /nfs/dbraw/zinc/84/16/52/1175841652.db2.gz DKHOVBJVJADBIM-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001698559617 1175841658 /nfs/dbraw/zinc/84/16/58/1175841658.db2.gz DKHOVBJVJADBIM-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001698559617 1175841663 /nfs/dbraw/zinc/84/16/63/1175841663.db2.gz DKHOVBJVJADBIM-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001698559617 1175841667 /nfs/dbraw/zinc/84/16/67/1175841667.db2.gz DKHOVBJVJADBIM-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699456156 1176420758 /nfs/dbraw/zinc/42/07/58/1176420758.db2.gz WNGGLTLSXDJVDJ-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699456156 1176420762 /nfs/dbraw/zinc/42/07/62/1176420762.db2.gz WNGGLTLSXDJVDJ-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699456156 1176420769 /nfs/dbraw/zinc/42/07/69/1176420769.db2.gz WNGGLTLSXDJVDJ-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699456156 1176420781 /nfs/dbraw/zinc/42/07/81/1176420781.db2.gz WNGGLTLSXDJVDJ-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001699665817 1176558936 /nfs/dbraw/zinc/55/89/36/1176558936.db2.gz QGDOEYLLWPVMDC-ZDUSSCGKSA-N 2 2 276.384 1.649 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823342 1176642514 /nfs/dbraw/zinc/64/25/14/1176642514.db2.gz IBVFMPUGQUSZJO-INIZCTEOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823342 1176642518 /nfs/dbraw/zinc/64/25/18/1176642518.db2.gz IBVFMPUGQUSZJO-INIZCTEOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700546805 1177009651 /nfs/dbraw/zinc/00/96/51/1177009651.db2.gz CFGUFEJXUIDZLK-GFCCVEGCSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001700732345 1177099794 /nfs/dbraw/zinc/09/97/94/1177099794.db2.gz XWPGNFFOGWOURR-AWEZNQCLSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001713162504 1178405933 /nfs/dbraw/zinc/40/59/33/1178405933.db2.gz GUTFEVPRLLLZAA-IHRRRGAJSA-N 2 2 288.395 1.258 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001713762119 1178742670 /nfs/dbraw/zinc/74/26/70/1178742670.db2.gz QPFXWBBDIDZLHS-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001713762119 1178742674 /nfs/dbraw/zinc/74/26/74/1178742674.db2.gz QPFXWBBDIDZLHS-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713949108 1178878836 /nfs/dbraw/zinc/87/88/36/1178878836.db2.gz FCZXGDPWANVYTD-SHTZXODSSA-N 2 2 296.374 1.516 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004187 1178923174 /nfs/dbraw/zinc/92/31/74/1178923174.db2.gz PPYSZUXXHPFQJD-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004187 1178923176 /nfs/dbraw/zinc/92/31/76/1178923176.db2.gz PPYSZUXXHPFQJD-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004187 1178923178 /nfs/dbraw/zinc/92/31/78/1178923178.db2.gz PPYSZUXXHPFQJD-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004187 1178923182 /nfs/dbraw/zinc/92/31/82/1178923182.db2.gz PPYSZUXXHPFQJD-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001714084832 1178966336 /nfs/dbraw/zinc/96/63/36/1178966336.db2.gz JVHBIZWPMHHMDB-GJZGRUSLSA-N 2 2 288.395 1.296 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714775097 1179390895 /nfs/dbraw/zinc/39/08/95/1179390895.db2.gz FGZFSWCINNVBOR-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001715505906 1179686823 /nfs/dbraw/zinc/68/68/23/1179686823.db2.gz RLYPSNDUVJISDO-UONOGXRCSA-N 2 2 276.384 1.198 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716498391 1180254991 /nfs/dbraw/zinc/25/49/91/1180254991.db2.gz QVNTZDZUWBKAOR-RYUDHWBXSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716498391 1180254994 /nfs/dbraw/zinc/25/49/94/1180254994.db2.gz QVNTZDZUWBKAOR-RYUDHWBXSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716498391 1180254998 /nfs/dbraw/zinc/25/49/98/1180254998.db2.gz QVNTZDZUWBKAOR-RYUDHWBXSA-N 2 2 264.373 1.211 10 30 CDEELP 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C=CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324655319 953499377 /nfs/dbraw/zinc/49/93/77/953499377.db2.gz ATYCOKNJUBTERA-HIFRSBDPSA-N 2 2 276.384 1.601 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001328651461 955395371 /nfs/dbraw/zinc/39/53/71/955395371.db2.gz WJNGDKQJZICRQU-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001317559856 957553882 /nfs/dbraw/zinc/55/38/82/957553882.db2.gz MSSQAOLVSHWCRI-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001317559856 957553887 /nfs/dbraw/zinc/55/38/87/957553887.db2.gz MSSQAOLVSHWCRI-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1C ZINC001494679430 972286419 /nfs/dbraw/zinc/28/64/19/972286419.db2.gz RHDZVRIVHVGCAD-GJZGRUSLSA-N 2 2 288.395 1.443 10 30 CDEELP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1C ZINC001494679430 972286424 /nfs/dbraw/zinc/28/64/24/972286424.db2.gz RHDZVRIVHVGCAD-GJZGRUSLSA-N 2 2 288.395 1.443 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001480795823 957977701 /nfs/dbraw/zinc/97/77/01/957977701.db2.gz WZVZSTSJMSIWSF-OLZOCXBDSA-N 2 2 264.373 1.505 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001319209660 958435316 /nfs/dbraw/zinc/43/53/16/958435316.db2.gz PRIJOSPFXMYPOW-UONOGXRCSA-N 2 2 290.411 1.364 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCC1 ZINC001319386128 958530669 /nfs/dbraw/zinc/53/06/69/958530669.db2.gz GRQXGETXHOMSCU-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322194580 960127910 /nfs/dbraw/zinc/12/79/10/960127910.db2.gz UUNLOZLBZUJAQO-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322194580 960127937 /nfs/dbraw/zinc/12/79/37/960127937.db2.gz UUNLOZLBZUJAQO-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001323034422 960414289 /nfs/dbraw/zinc/41/42/89/960414289.db2.gz CWRFGXZFUGTXIH-AWEZNQCLSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323276158 960607787 /nfs/dbraw/zinc/60/77/87/960607787.db2.gz DRYPSVINJQGFNL-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323276158 960607797 /nfs/dbraw/zinc/60/77/97/960607797.db2.gz DRYPSVINJQGFNL-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001324339211 961318550 /nfs/dbraw/zinc/31/85/50/961318550.db2.gz ANXVEHWSLZBWJE-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001569521181 1169909102 /nfs/dbraw/zinc/90/91/02/1169909102.db2.gz GAZOQDYXNLUJOI-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001495690514 972598486 /nfs/dbraw/zinc/59/84/86/972598486.db2.gz DZGLYGHMWXFYAL-GFCCVEGCSA-N 2 2 277.368 1.161 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001496778245 973089999 /nfs/dbraw/zinc/08/99/99/973089999.db2.gz TYZIJNATRANDMX-UHFFFAOYSA-N 2 2 261.797 1.081 10 30 CDEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001496778245 973090009 /nfs/dbraw/zinc/09/00/09/973090009.db2.gz TYZIJNATRANDMX-UHFFFAOYSA-N 2 2 261.797 1.081 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001496925652 973147338 /nfs/dbraw/zinc/14/73/38/973147338.db2.gz WCGZPARTLQWRSE-OLZOCXBDSA-N 2 2 296.802 1.510 10 30 CDEELP CC#CC[NH2+]CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001497423163 973341188 /nfs/dbraw/zinc/34/11/88/973341188.db2.gz HYVONJPQLIDIOX-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001499420757 974251836 /nfs/dbraw/zinc/25/18/36/974251836.db2.gz IURYCJWUDWQWFJ-CYBMUJFWSA-N 2 2 290.411 1.556 10 30 CDEELP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505768722 974985525 /nfs/dbraw/zinc/98/55/25/974985525.db2.gz PQPQIYKGXINBHX-OLZOCXBDSA-N 2 2 264.373 1.332 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001377363025 974988279 /nfs/dbraw/zinc/98/82/79/974988279.db2.gz VVQGARNPISJZDS-CYBMUJFWSA-N 2 2 287.835 1.519 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001377363025 974988276 /nfs/dbraw/zinc/98/82/76/974988276.db2.gz VVQGARNPISJZDS-CYBMUJFWSA-N 2 2 287.835 1.519 10 30 CDEELP C=C(Cl)C[NH+](CC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001377363025 974988282 /nfs/dbraw/zinc/98/82/82/974988282.db2.gz VVQGARNPISJZDS-CYBMUJFWSA-N 2 2 287.835 1.519 10 30 CDEELP C=C(Cl)C[NH+](CC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001377363025 974988288 /nfs/dbraw/zinc/98/82/88/974988288.db2.gz VVQGARNPISJZDS-CYBMUJFWSA-N 2 2 287.835 1.519 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001506010063 975083546 /nfs/dbraw/zinc/08/35/46/975083546.db2.gz OXIPVODWSXJXNQ-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001506010063 975083552 /nfs/dbraw/zinc/08/35/52/975083552.db2.gz OXIPVODWSXJXNQ-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001378078314 975232560 /nfs/dbraw/zinc/23/25/60/975232560.db2.gz XPDVFKALSVPKBG-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001378078314 975232566 /nfs/dbraw/zinc/23/25/66/975232566.db2.gz XPDVFKALSVPKBG-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001378078314 975232571 /nfs/dbraw/zinc/23/25/71/975232571.db2.gz XPDVFKALSVPKBG-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001378078314 975232577 /nfs/dbraw/zinc/23/25/77/975232577.db2.gz XPDVFKALSVPKBG-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001507324893 975416259 /nfs/dbraw/zinc/41/62/59/975416259.db2.gz CYZXMYQAKOEPRE-WCQYABFASA-N 2 2 262.357 1.107 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001507384359 975442906 /nfs/dbraw/zinc/44/29/06/975442906.db2.gz FDOUQAIULXYGNX-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001507384359 975442913 /nfs/dbraw/zinc/44/29/13/975442913.db2.gz FDOUQAIULXYGNX-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001569828922 1170009103 /nfs/dbraw/zinc/00/91/03/1170009103.db2.gz QEJWUFAJNDUVJT-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001570092659 1170076548 /nfs/dbraw/zinc/07/65/48/1170076548.db2.gz BRHAFSQPYRCOCI-CQSZACIVSA-N 2 2 290.411 1.807 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001570720210 1170252215 /nfs/dbraw/zinc/25/22/15/1170252215.db2.gz NPLXWJFNUYJVGM-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001570720210 1170252217 /nfs/dbraw/zinc/25/22/17/1170252217.db2.gz NPLXWJFNUYJVGM-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C#C[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC001652894539 1171488710 /nfs/dbraw/zinc/48/87/10/1171488710.db2.gz DWDLOMFUWZPNIU-CQSZACIVSA-N 2 2 287.407 1.305 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001656106046 1171768727 /nfs/dbraw/zinc/76/87/27/1171768727.db2.gz QSEWPJHNCFBCNC-OAHLLOKOSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001656106046 1171768734 /nfs/dbraw/zinc/76/87/34/1171768734.db2.gz QSEWPJHNCFBCNC-OAHLLOKOSA-N 2 2 290.411 1.462 10 30 CDEELP Cc1ccn2cc(CNC(=O)[C@H]([NH3+])CCCCC#N)[nH+]c2c1 ZINC000594441051 342907411 /nfs/dbraw/zinc/90/74/11/342907411.db2.gz LRJXSOGYZCONDS-CQSZACIVSA-N 2 2 299.378 1.670 10 30 CDEELP N#CC1(c2ccc(C[NH2+]CC[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000599010651 343939522 /nfs/dbraw/zinc/93/95/22/343939522.db2.gz UDLSWUJAIZLIJF-MRXNPFEDSA-N 2 2 285.391 1.398 10 30 CDEELP N#CC1(c2ccc(C[NH2+]CC[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000599010651 343939526 /nfs/dbraw/zinc/93/95/26/343939526.db2.gz UDLSWUJAIZLIJF-MRXNPFEDSA-N 2 2 285.391 1.398 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001660845047 1172288835 /nfs/dbraw/zinc/28/88/35/1172288835.db2.gz QOMOKUGKNPCEIK-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001660845047 1172288844 /nfs/dbraw/zinc/28/88/44/1172288844.db2.gz QOMOKUGKNPCEIK-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP COc1c[nH+]ccc1N1CC[NH+](CCCC#N)CC1 ZINC000361520004 368870045 /nfs/dbraw/zinc/87/00/45/368870045.db2.gz RALLMLJMKWWLQT-UHFFFAOYSA-N 2 2 260.341 1.516 10 30 CDEELP COCC[NH+]1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000160461481 369738573 /nfs/dbraw/zinc/73/85/73/369738573.db2.gz FQQDYBVPQPCBID-UHFFFAOYSA-N 2 2 274.368 1.339 10 30 CDEELP COc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1C#N ZINC000422564745 245115123 /nfs/dbraw/zinc/11/51/23/245115123.db2.gz WSPLRNNCDAVLRM-UHFFFAOYSA-N 2 2 271.364 1.895 10 30 CDEELP CC[NH+](CC)CC[C@H](CO)Nc1cc(C)[nH+]cc1C#N ZINC000425265231 284656091 /nfs/dbraw/zinc/65/60/91/284656091.db2.gz ZEAOZVBFRJLNOX-CQSZACIVSA-N 2 2 276.384 1.188 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152477 412907660 /nfs/dbraw/zinc/90/76/60/412907660.db2.gz FYHZOKIBEQRINI-UKRRQHHQSA-N 2 2 250.386 1.319 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152477 412907666 /nfs/dbraw/zinc/90/76/66/412907666.db2.gz FYHZOKIBEQRINI-UKRRQHHQSA-N 2 2 250.386 1.319 10 30 CDEELP C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C#CC[NH3+])s1 ZINC000043683842 175092317 /nfs/dbraw/zinc/09/23/17/175092317.db2.gz CIRDDVRIUMCEAO-UHFFFAOYSA-N 2 2 291.420 1.113 10 30 CDEELP C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C#CC[NH3+])s1 ZINC000043683842 175092319 /nfs/dbraw/zinc/09/23/19/175092319.db2.gz CIRDDVRIUMCEAO-UHFFFAOYSA-N 2 2 291.420 1.113 10 30 CDEELP C[C@@H]1COCC[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683685 175092445 /nfs/dbraw/zinc/09/24/45/175092445.db2.gz KTVBOLUCCKMFRG-LLVKDONJSA-N 2 2 250.367 1.279 10 30 CDEELP C[C@@H]1COCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683685 175092446 /nfs/dbraw/zinc/09/24/46/175092446.db2.gz KTVBOLUCCKMFRG-LLVKDONJSA-N 2 2 250.367 1.279 10 30 CDEELP N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044559114 175203356 /nfs/dbraw/zinc/20/33/56/175203356.db2.gz SWZKANNDVNASEY-CQSZACIVSA-N 2 2 286.379 1.700 10 30 CDEELP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044559114 175203357 /nfs/dbraw/zinc/20/33/57/175203357.db2.gz SWZKANNDVNASEY-CQSZACIVSA-N 2 2 286.379 1.700 10 30 CDEELP CCC[NH+]1CCN(CCCC[C@@](C)(C#N)[NH2+]C)CC1 ZINC000045306459 175355436 /nfs/dbraw/zinc/35/54/36/175355436.db2.gz JWDSPUVDFLAUNR-HNNXBMFYSA-N 2 2 266.433 1.686 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](C)CCc1ccccn1 ZINC000045305991 175355945 /nfs/dbraw/zinc/35/59/45/175355945.db2.gz TWDIKUOXRQTOSP-OAHLLOKOSA-N 2 2 260.385 1.838 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CCc1ccccn1 ZINC000045305991 175355946 /nfs/dbraw/zinc/35/59/46/175355946.db2.gz TWDIKUOXRQTOSP-OAHLLOKOSA-N 2 2 260.385 1.838 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307900 175356620 /nfs/dbraw/zinc/35/66/20/175356620.db2.gz KURVRCRDLAEPDA-OAHLLOKOSA-N 3 2 266.433 1.684 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307900 175356621 /nfs/dbraw/zinc/35/66/21/175356621.db2.gz KURVRCRDLAEPDA-OAHLLOKOSA-N 3 2 266.433 1.684 10 30 CDEELP C[C@]([NH3+])(C#N)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045313143 175357046 /nfs/dbraw/zinc/35/70/46/175357046.db2.gz ZHDHJZPABLQWGO-MRXNPFEDSA-N 3 2 278.444 1.958 10 30 CDEELP CCCN[C@@H](C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315734 175357988 /nfs/dbraw/zinc/35/79/88/175357988.db2.gz UEXWZQBXAXRLOG-AWEZNQCLSA-N 2 2 252.406 1.152 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CCC[C@](C)([NH3+])C#N)CC1 ZINC000045317122 175358216 /nfs/dbraw/zinc/35/82/16/175358216.db2.gz VQQOWHNEOGMVAY-AWEZNQCLSA-N 3 2 252.406 1.424 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CCC[C@](C)([NH3+])C#N)CC1 ZINC000045317122 175358218 /nfs/dbraw/zinc/35/82/18/175358218.db2.gz VQQOWHNEOGMVAY-AWEZNQCLSA-N 3 2 252.406 1.424 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCCC2)C1 ZINC000071145820 176041750 /nfs/dbraw/zinc/04/17/50/176041750.db2.gz PIHAMOWJEZWVRT-AWEZNQCLSA-N 2 2 292.427 1.260 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCCC2)C1 ZINC000071145820 176041751 /nfs/dbraw/zinc/04/17/51/176041751.db2.gz PIHAMOWJEZWVRT-AWEZNQCLSA-N 2 2 292.427 1.260 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001666808515 1173188377 /nfs/dbraw/zinc/18/83/77/1173188377.db2.gz LVWVQYVLMQQZRA-UHFFFAOYSA-N 2 2 290.411 1.868 10 30 CDEELP C#CC[NH2+]C/C=C\CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001668872435 1173474755 /nfs/dbraw/zinc/47/47/55/1173474755.db2.gz IRCALRVPOOKIFT-YVACAVLKSA-N 2 2 288.395 1.366 10 30 CDEELP CN(C)c1[nH+]cc(C[NH2+]CC2CCC(C#N)CC2)n1C ZINC000419733196 329745386 /nfs/dbraw/zinc/74/53/86/329745386.db2.gz TVOMYVOUVNQZFT-UHFFFAOYSA-N 2 2 275.400 1.906 10 30 CDEELP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c(CC)c2)CC1 ZINC000450230388 330967539 /nfs/dbraw/zinc/96/75/39/330967539.db2.gz FSIILJWCIUVLCE-UHFFFAOYSA-N 2 2 288.395 1.068 10 30 CDEELP C=CCCCCC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001267652239 1159555326 /nfs/dbraw/zinc/55/53/26/1159555326.db2.gz MBVQTLVQDFTESN-UHFFFAOYSA-N 2 2 290.411 1.738 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481728245 1159913911 /nfs/dbraw/zinc/91/39/11/1159913911.db2.gz WLPYZIUXSTUCFX-ZDUSSCGKSA-N 2 2 262.357 1.061 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483175179 1160779778 /nfs/dbraw/zinc/77/97/78/1160779778.db2.gz RWMMWBDRIAQMRO-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483175179 1160779782 /nfs/dbraw/zinc/77/97/82/1160779782.db2.gz RWMMWBDRIAQMRO-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCN1CC[NH+](CC(C)C)CC1 ZINC000055081062 520129061 /nfs/dbraw/zinc/12/90/61/520129061.db2.gz JBRBIUXXYAUVLF-OAHLLOKOSA-N 2 2 266.433 1.542 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691671056 1161496750 /nfs/dbraw/zinc/49/67/50/1161496750.db2.gz YXNBGGMGFAIGHX-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691671056 1161496753 /nfs/dbraw/zinc/49/67/53/1161496753.db2.gz YXNBGGMGFAIGHX-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C#CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686969 574642129 /nfs/dbraw/zinc/64/21/29/574642129.db2.gz ZXCVVRZAVLOUGI-INIZCTEOSA-N 2 2 291.439 1.324 10 30 CDEELP C#CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686969 574642130 /nfs/dbraw/zinc/64/21/30/574642130.db2.gz ZXCVVRZAVLOUGI-INIZCTEOSA-N 2 2 291.439 1.324 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000756903126 577014281 /nfs/dbraw/zinc/01/42/81/577014281.db2.gz KMZKDHPNMJWMAS-XJKSGUPXSA-N 2 2 258.365 1.738 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000756903126 577014284 /nfs/dbraw/zinc/01/42/84/577014284.db2.gz KMZKDHPNMJWMAS-XJKSGUPXSA-N 2 2 258.365 1.738 10 30 CDEELP C#CC[NH+](CC#C)Cc1ccccc1C[NH+](CC#C)CC#C ZINC000752303077 577098514 /nfs/dbraw/zinc/09/85/14/577098514.db2.gz WVCIALDBXQYKTR-UHFFFAOYSA-N 2 2 288.394 1.823 10 30 CDEELP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1C#N ZINC000925836537 617866955 /nfs/dbraw/zinc/86/69/55/617866955.db2.gz BWPNIKSSCVWMNZ-ZZTPXLKCSA-N 2 2 267.376 1.953 10 30 CDEELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902752063 625317579 /nfs/dbraw/zinc/31/75/79/625317579.db2.gz GAYOJEMWJKTFFK-OCCSQVGLSA-N 2 2 258.369 1.946 10 30 CDEELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902752063 625317585 /nfs/dbraw/zinc/31/75/85/625317585.db2.gz GAYOJEMWJKTFFK-OCCSQVGLSA-N 2 2 258.369 1.946 10 30 CDEELP C#CCC[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001671171502 1166653495 /nfs/dbraw/zinc/65/34/95/1166653495.db2.gz UCLDEOUKAGRIHQ-HNNXBMFYSA-N 2 2 279.428 1.273 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001569614333 1169938616 /nfs/dbraw/zinc/93/86/16/1169938616.db2.gz RPHSXGCCFSPNTN-OAHLLOKOSA-N 2 2 288.395 1.158 10 30 CDEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001570384826 1170148491 /nfs/dbraw/zinc/14/84/91/1170148491.db2.gz SEHFCLMIHBZHNB-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001656302005 1171805124 /nfs/dbraw/zinc/80/51/24/1171805124.db2.gz DMWKIULUNLSPFW-UONOGXRCSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001656302005 1171805136 /nfs/dbraw/zinc/80/51/36/1171805136.db2.gz DMWKIULUNLSPFW-UONOGXRCSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001673483050 1173863165 /nfs/dbraw/zinc/86/31/65/1173863165.db2.gz KGDNSKSIAGRRHH-UHFFFAOYSA-N 2 2 290.411 1.491 10 30 CDEELP C#CCC[N@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001673483050 1173863173 /nfs/dbraw/zinc/86/31/73/1173863173.db2.gz KGDNSKSIAGRRHH-UHFFFAOYSA-N 2 2 290.411 1.491 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001676369622 1174215269 /nfs/dbraw/zinc/21/52/69/1174215269.db2.gz STXRPWRUOYXSHI-CYBMUJFWSA-N 2 2 292.427 1.939 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690342060 1175443859 /nfs/dbraw/zinc/44/38/59/1175443859.db2.gz YLLCVAADXWHEOA-YUELXQCFSA-N 2 2 290.411 1.934 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690342060 1175443865 /nfs/dbraw/zinc/44/38/65/1175443865.db2.gz YLLCVAADXWHEOA-YUELXQCFSA-N 2 2 290.411 1.934 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001690484395 1175479949 /nfs/dbraw/zinc/47/99/49/1175479949.db2.gz RVYKUUADMLRWCE-CYBMUJFWSA-N 2 2 288.395 1.291 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001690594201 1175515279 /nfs/dbraw/zinc/51/52/79/1175515279.db2.gz RPXHJMBWGAZQQQ-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691787147 1175627889 /nfs/dbraw/zinc/62/78/89/1175627889.db2.gz FWPIJONNDUQVNE-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001691787147 1175627892 /nfs/dbraw/zinc/62/78/92/1175627892.db2.gz FWPIJONNDUQVNE-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691787147 1175627896 /nfs/dbraw/zinc/62/78/96/1175627896.db2.gz FWPIJONNDUQVNE-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001691787147 1175627898 /nfs/dbraw/zinc/62/78/98/1175627898.db2.gz FWPIJONNDUQVNE-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001698901047 1175981847 /nfs/dbraw/zinc/98/18/47/1175981847.db2.gz LGBYNRXYQNTLGZ-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP C#CC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001698997591 1176029646 /nfs/dbraw/zinc/02/96/46/1176029646.db2.gz SFHNADARDMYZIM-UHFFFAOYSA-N 2 2 276.384 1.030 10 30 CDEELP C#CC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001698997591 1176029651 /nfs/dbraw/zinc/02/96/51/1176029651.db2.gz SFHNADARDMYZIM-UHFFFAOYSA-N 2 2 276.384 1.030 10 30 CDEELP C=CC[N@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001699825997 1176644207 /nfs/dbraw/zinc/64/42/07/1176644207.db2.gz YJLQYPALTOGHGD-AWEZNQCLSA-N 2 2 262.357 1.027 10 30 CDEELP C=CC[N@@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001699825997 1176644213 /nfs/dbraw/zinc/64/42/13/1176644213.db2.gz YJLQYPALTOGHGD-AWEZNQCLSA-N 2 2 262.357 1.027 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001700421932 1176920162 /nfs/dbraw/zinc/92/01/62/1176920162.db2.gz GHERBCOUNBEXAO-ZIAGYGMSSA-N 2 2 292.427 1.802 10 30 CDEELP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001700494457 1176983395 /nfs/dbraw/zinc/98/33/95/1176983395.db2.gz KCSRCSNWEKPSJV-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001700494457 1176983400 /nfs/dbraw/zinc/98/34/00/1176983400.db2.gz KCSRCSNWEKPSJV-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001700494457 1176983407 /nfs/dbraw/zinc/98/34/07/1176983407.db2.gz KCSRCSNWEKPSJV-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001700494457 1176983413 /nfs/dbraw/zinc/98/34/13/1176983413.db2.gz KCSRCSNWEKPSJV-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=CC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001700506768 1176986038 /nfs/dbraw/zinc/98/60/38/1176986038.db2.gz RRIZZFGTWZZYQZ-HNNXBMFYSA-N 2 2 292.427 1.611 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001700754852 1177115184 /nfs/dbraw/zinc/11/51/84/1177115184.db2.gz AZZYUYGKWACVGG-GFCCVEGCSA-N 2 2 277.368 1.255 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001700762415 1177119872 /nfs/dbraw/zinc/11/98/72/1177119872.db2.gz XLMUXBXIRHRCIA-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700770790 1177124543 /nfs/dbraw/zinc/12/45/43/1177124543.db2.gz PNURVTOUQJVCKI-JHJVBQTASA-N 2 2 276.384 1.146 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713150137 1178396176 /nfs/dbraw/zinc/39/61/76/1178396176.db2.gz BOAXRACJQOJALG-STQMWFEESA-N 2 2 276.384 1.497 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001713237450 1178447225 /nfs/dbraw/zinc/44/72/25/1178447225.db2.gz ZNWNALAWKVVATB-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001713292703 1178469647 /nfs/dbraw/zinc/46/96/47/1178469647.db2.gz HAXACPLAYFHBGI-UHFFFAOYSA-N 2 2 290.411 1.866 10 30 CDEELP CC#CC[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001713310976 1178489028 /nfs/dbraw/zinc/48/90/28/1178489028.db2.gz GRKCAVXPCCYTKD-GFCCVEGCSA-N 2 2 284.363 1.374 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713411297 1178546166 /nfs/dbraw/zinc/54/61/66/1178546166.db2.gz ZFPKMWFQOCSQGP-CYBMUJFWSA-N 2 2 290.411 1.434 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001713868266 1178802049 /nfs/dbraw/zinc/80/20/49/1178802049.db2.gz KACGMSOOHHSWIX-ZIAGYGMSSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713950696 1178881039 /nfs/dbraw/zinc/88/10/39/1178881039.db2.gz BTNZATUMJKXXEI-HDJSIYSDSA-N 2 2 276.384 1.545 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713950696 1178881053 /nfs/dbraw/zinc/88/10/53/1178881053.db2.gz BTNZATUMJKXXEI-HDJSIYSDSA-N 2 2 276.384 1.545 10 30 CDEELP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714109902 1178978261 /nfs/dbraw/zinc/97/82/61/1178978261.db2.gz RUMMNFHYHHBNHM-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714109902 1178978265 /nfs/dbraw/zinc/97/82/65/1178978265.db2.gz RUMMNFHYHHBNHM-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001714523138 1179180327 /nfs/dbraw/zinc/18/03/27/1179180327.db2.gz VPQNAQITRRGXKD-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001714523138 1179180328 /nfs/dbraw/zinc/18/03/28/1179180328.db2.gz VPQNAQITRRGXKD-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001714919410 1179452671 /nfs/dbraw/zinc/45/26/71/1179452671.db2.gz YFALZQRVAQADIH-HNNXBMFYSA-N 2 2 290.411 1.486 10 30 CDEELP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001714919410 1179452674 /nfs/dbraw/zinc/45/26/74/1179452674.db2.gz YFALZQRVAQADIH-HNNXBMFYSA-N 2 2 290.411 1.486 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001714952510 1179474082 /nfs/dbraw/zinc/47/40/82/1179474082.db2.gz GUSUFTBVQVEBOF-LBPRGKRZSA-N 2 2 276.384 1.118 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001715851881 1179871379 /nfs/dbraw/zinc/87/13/79/1179871379.db2.gz KHOWJVBNGVPRJB-ARJAWSKDSA-N 2 2 262.357 1.111 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001716627670 1180313964 /nfs/dbraw/zinc/31/39/64/1180313964.db2.gz RWBNCQZCYZGCNS-CQSZACIVSA-N 2 2 276.384 1.023 10 30 CDEELP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001716662418 1180348204 /nfs/dbraw/zinc/34/82/04/1180348204.db2.gz HFSVSTGTHMWKBN-LSDHHAIUSA-N 2 2 279.428 1.321 10 30 CDEELP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001716662418 1180348211 /nfs/dbraw/zinc/34/82/11/1180348211.db2.gz HFSVSTGTHMWKBN-LSDHHAIUSA-N 2 2 279.428 1.321 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717373040 1180636068 /nfs/dbraw/zinc/63/60/68/1180636068.db2.gz GPGSNVACPZKAER-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001725497111 1182024609 /nfs/dbraw/zinc/02/46/09/1182024609.db2.gz CBTOMUAFVOPDCP-CYBMUJFWSA-N 2 2 286.379 1.961 10 30 CDEELP C=C(C)C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001731340905 1182328462 /nfs/dbraw/zinc/32/84/62/1182328462.db2.gz NYVBAMKMPABXKJ-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001731340905 1182328465 /nfs/dbraw/zinc/32/84/65/1182328465.db2.gz NYVBAMKMPABXKJ-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001733012459 1183237466 /nfs/dbraw/zinc/23/74/66/1183237466.db2.gz QVZVMNFYHIIHBO-YNEHKIRRSA-N 2 2 276.384 1.194 10 30 CDEELP C#CC[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001733778827 1183530521 /nfs/dbraw/zinc/53/05/21/1183530521.db2.gz NRFIEZDLWBVJOF-AWEZNQCLSA-N 2 2 276.384 1.248 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001734402569 1183763682 /nfs/dbraw/zinc/76/36/82/1183763682.db2.gz KDRXUZVDWWNQDX-HIFRSBDPSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001734524467 1183808216 /nfs/dbraw/zinc/80/82/16/1183808216.db2.gz YVMFCHFGIGEBRW-CQSZACIVSA-N 2 2 291.395 1.215 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001734554280 1183824267 /nfs/dbraw/zinc/82/42/67/1183824267.db2.gz GPEARPJYJBSEQN-UHFFFAOYSA-N 2 2 292.427 1.708 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001734554280 1183824275 /nfs/dbraw/zinc/82/42/75/1183824275.db2.gz GPEARPJYJBSEQN-UHFFFAOYSA-N 2 2 292.427 1.708 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCNC(=O)C[NH+](C)C(C)C ZINC001399826168 976692804 /nfs/dbraw/zinc/69/28/04/976692804.db2.gz SXOKJJYMMGOCCW-UHFFFAOYSA-N 2 2 275.824 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCNC(=O)C[NH+](C)C(C)C ZINC001399826168 976692809 /nfs/dbraw/zinc/69/28/09/976692809.db2.gz SXOKJJYMMGOCCW-UHFFFAOYSA-N 2 2 275.824 1.517 10 30 CDEELP C=C(Cl)C[NH+](CC)CCNC(=O)C[N@H+](C)C(C)C ZINC001399826168 976692814 /nfs/dbraw/zinc/69/28/14/976692814.db2.gz SXOKJJYMMGOCCW-UHFFFAOYSA-N 2 2 275.824 1.517 10 30 CDEELP C=C(Cl)C[NH+](CC)CCNC(=O)C[N@@H+](C)C(C)C ZINC001399826168 976692817 /nfs/dbraw/zinc/69/28/17/976692817.db2.gz SXOKJJYMMGOCCW-UHFFFAOYSA-N 2 2 275.824 1.517 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001567028736 1168519341 /nfs/dbraw/zinc/51/93/41/1168519341.db2.gz LRNQEAKYOGMSFY-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001567421263 1168745894 /nfs/dbraw/zinc/74/58/94/1168745894.db2.gz PXLPWHCGHIMIFZ-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001567421263 1168745904 /nfs/dbraw/zinc/74/59/04/1168745904.db2.gz PXLPWHCGHIMIFZ-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267022363 896580858 /nfs/dbraw/zinc/58/08/58/896580858.db2.gz GIRUNJBKJYKZIA-ZDUSSCGKSA-N 2 2 290.411 1.844 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267333752 897625007 /nfs/dbraw/zinc/62/50/07/897625007.db2.gz LWLJBIWGEGHDLG-LBPRGKRZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001267333752 897625020 /nfs/dbraw/zinc/62/50/20/897625020.db2.gz LWLJBIWGEGHDLG-LBPRGKRZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001267333752 897625027 /nfs/dbraw/zinc/62/50/27/897625027.db2.gz LWLJBIWGEGHDLG-LBPRGKRZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689315 899288127 /nfs/dbraw/zinc/28/81/27/899288127.db2.gz DBUQFBYKFBSPFO-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689315 899288133 /nfs/dbraw/zinc/28/81/33/899288133.db2.gz DBUQFBYKFBSPFO-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001496350725 899626363 /nfs/dbraw/zinc/62/63/63/899626363.db2.gz LFNQMGAZIHDPFM-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001481304556 900286518 /nfs/dbraw/zinc/28/65/18/900286518.db2.gz WIEAWDAPONRPMX-UHFFFAOYSA-N 2 2 278.400 1.702 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCC1 ZINC001268052358 900980629 /nfs/dbraw/zinc/98/06/29/900980629.db2.gz DPWWQMXXMQCMDI-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001481734465 901977845 /nfs/dbraw/zinc/97/78/45/901977845.db2.gz GZVWAGAADKKALT-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001481734465 901977855 /nfs/dbraw/zinc/97/78/55/901977855.db2.gz GZVWAGAADKKALT-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482058603 902569887 /nfs/dbraw/zinc/56/98/87/902569887.db2.gz PFUMSYZVLNEPRW-CYBMUJFWSA-N 2 2 282.347 1.390 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001269182323 903511450 /nfs/dbraw/zinc/51/14/50/903511450.db2.gz OGXQOYZHRSCRCC-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001270632790 904865695 /nfs/dbraw/zinc/86/56/95/904865695.db2.gz MPAJPFXNWJOXSS-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001270632790 904865702 /nfs/dbraw/zinc/86/57/02/904865702.db2.gz MPAJPFXNWJOXSS-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001270632790 904865716 /nfs/dbraw/zinc/86/57/16/904865716.db2.gz MPAJPFXNWJOXSS-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001270632790 904865731 /nfs/dbraw/zinc/86/57/31/904865731.db2.gz MPAJPFXNWJOXSS-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001271666791 906577384 /nfs/dbraw/zinc/57/73/84/906577384.db2.gz SYBSCYHSXQEQCB-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001272061192 907858085 /nfs/dbraw/zinc/85/80/85/907858085.db2.gz OHSVWNLMDDPQLV-UHFFFAOYSA-N 2 2 272.352 1.524 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001272061192 907858104 /nfs/dbraw/zinc/85/81/04/907858104.db2.gz OHSVWNLMDDPQLV-UHFFFAOYSA-N 2 2 272.352 1.524 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482951960 908530946 /nfs/dbraw/zinc/53/09/46/908530946.db2.gz UEWNLTBIIJRFHG-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484096196 915432204 /nfs/dbraw/zinc/43/22/04/915432204.db2.gz JPKUGCCAFABRRA-MRXNPFEDSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484096196 915432212 /nfs/dbraw/zinc/43/22/12/915432212.db2.gz JPKUGCCAFABRRA-MRXNPFEDSA-N 2 2 288.395 1.194 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001484343228 915649774 /nfs/dbraw/zinc/64/97/74/915649774.db2.gz NLXHQNSGNKTCLG-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484759530 916146798 /nfs/dbraw/zinc/14/67/98/916146798.db2.gz GYBGZIIQEBUTHA-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484759530 916146802 /nfs/dbraw/zinc/14/68/02/916146802.db2.gz GYBGZIIQEBUTHA-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484759530 916146808 /nfs/dbraw/zinc/14/68/08/916146808.db2.gz GYBGZIIQEBUTHA-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484759530 916146818 /nfs/dbraw/zinc/14/68/18/916146818.db2.gz GYBGZIIQEBUTHA-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP CC#CC[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)C(C)C ZINC001485440333 916971532 /nfs/dbraw/zinc/97/15/32/916971532.db2.gz ZZBYRWLTWVJDLJ-HNNXBMFYSA-N 2 2 290.411 1.369 10 30 CDEELP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC001486234935 920852065 /nfs/dbraw/zinc/85/20/65/920852065.db2.gz OZRLEBSCCDXJCI-CQSZACIVSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC001486234935 920852078 /nfs/dbraw/zinc/85/20/78/920852078.db2.gz OZRLEBSCCDXJCI-CQSZACIVSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001568321852 1169244955 /nfs/dbraw/zinc/24/49/55/1169244955.db2.gz FKYFORJKXZGFRR-CQSZACIVSA-N 2 2 276.384 1.123 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275361009 931748323 /nfs/dbraw/zinc/74/83/23/931748323.db2.gz RWMMWBDRIAQMRO-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275361009 931748328 /nfs/dbraw/zinc/74/83/28/931748328.db2.gz RWMMWBDRIAQMRO-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275402616 931774438 /nfs/dbraw/zinc/77/44/38/931774438.db2.gz BAYRTCOIUKRXEN-OLZOCXBDSA-N 2 2 286.379 1.925 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001275793437 932040456 /nfs/dbraw/zinc/04/04/56/932040456.db2.gz OXMBISVZCIMARY-ZFWWWQNUSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001275865063 932101514 /nfs/dbraw/zinc/10/15/14/932101514.db2.gz DNTIWXODDWYNFG-OLZOCXBDSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001275865063 932101518 /nfs/dbraw/zinc/10/15/18/932101518.db2.gz DNTIWXODDWYNFG-OLZOCXBDSA-N 2 2 276.384 1.068 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001276771658 941040893 /nfs/dbraw/zinc/04/08/93/941040893.db2.gz IUYKQZXFGOAALA-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001284993573 943309011 /nfs/dbraw/zinc/30/90/11/943309011.db2.gz BESHRPCANUMUNG-UHFFFAOYSA-N 2 2 288.395 1.598 10 30 CDEELP C=C(C)CC[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001284993573 943309017 /nfs/dbraw/zinc/30/90/17/943309017.db2.gz BESHRPCANUMUNG-UHFFFAOYSA-N 2 2 288.395 1.598 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001263836687 943995879 /nfs/dbraw/zinc/99/58/79/943995879.db2.gz IAVYPYXPYQLOCR-XBXGTLAGSA-N 2 2 296.374 1.684 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001278392160 947519166 /nfs/dbraw/zinc/51/91/66/947519166.db2.gz SKGQCJSGCIJCSE-KBPBESRZSA-N 2 2 276.384 1.428 10 30 CDEELP CC#CC[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001569070027 1169629933 /nfs/dbraw/zinc/62/99/33/1169629933.db2.gz DINHXLNYCRIYHO-ZDUSSCGKSA-N 2 2 273.380 1.738 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001278595472 950341074 /nfs/dbraw/zinc/34/10/74/950341074.db2.gz UKRMGJSWPJCMFD-QWHCGFSZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001324510940 953421631 /nfs/dbraw/zinc/42/16/31/953421631.db2.gz WFLCGMHTHVUDNJ-HNNXBMFYSA-N 2 2 290.411 1.711 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001491895197 955497939 /nfs/dbraw/zinc/49/79/39/955497939.db2.gz FENDARCSYJYGHU-HUUCEWRRSA-N 2 2 290.411 1.866 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001493892464 972135530 /nfs/dbraw/zinc/13/55/30/972135530.db2.gz NHFOPGKYCYJELT-INIZCTEOSA-N 2 2 296.374 1.272 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001330709314 956582358 /nfs/dbraw/zinc/58/23/58/956582358.db2.gz UBFPKVIVEWCNFB-HDJSIYSDSA-N 2 2 276.384 1.334 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001331943567 957352616 /nfs/dbraw/zinc/35/26/16/957352616.db2.gz JGRYORDOQWTUGL-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[N@H+](CCC)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001317543915 957538512 /nfs/dbraw/zinc/53/85/12/957538512.db2.gz AFYIUMUKJSMNJN-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP C#CC[N@@H+](CCC)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001317543915 957538518 /nfs/dbraw/zinc/53/85/18/957538518.db2.gz AFYIUMUKJSMNJN-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP C=CC[N@@H+](C)CCN(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001332711558 957682475 /nfs/dbraw/zinc/68/24/75/957682475.db2.gz SPLLHEWERCOZLX-UHFFFAOYSA-N 2 2 278.400 1.697 10 30 CDEELP C=CC[N@H+](C)CCN(C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001332711558 957682482 /nfs/dbraw/zinc/68/24/82/957682482.db2.gz SPLLHEWERCOZLX-UHFFFAOYSA-N 2 2 278.400 1.697 10 30 CDEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001318725953 958245470 /nfs/dbraw/zinc/24/54/70/958245470.db2.gz CDSQIHIXCUCKFX-HNNXBMFYSA-N 2 2 276.384 1.403 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001319632328 958666194 /nfs/dbraw/zinc/66/61/94/958666194.db2.gz VHNPWIHUUIWKIN-HIFRSBDPSA-N 2 2 290.411 1.342 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001319632328 958666200 /nfs/dbraw/zinc/66/62/00/958666200.db2.gz VHNPWIHUUIWKIN-HIFRSBDPSA-N 2 2 290.411 1.342 10 30 CDEELP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319758220 958713674 /nfs/dbraw/zinc/71/36/74/958713674.db2.gz MKUWCXCYZPYGRU-KGLIPLIRSA-N 2 2 263.385 1.612 10 30 CDEELP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319758220 958713691 /nfs/dbraw/zinc/71/36/91/958713691.db2.gz MKUWCXCYZPYGRU-KGLIPLIRSA-N 2 2 263.385 1.612 10 30 CDEELP C=CC[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001335623936 959937147 /nfs/dbraw/zinc/93/71/47/959937147.db2.gz YVLALPJSBYQAFZ-CYBMUJFWSA-N 2 2 280.416 1.017 10 30 CDEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001323079822 960436237 /nfs/dbraw/zinc/43/62/37/960436237.db2.gz CRJPVIHFKOUDCY-DOMZBBRYSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001323079822 960436246 /nfs/dbraw/zinc/43/62/46/960436246.db2.gz CRJPVIHFKOUDCY-DOMZBBRYSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)C(=O)OCC ZINC001560808357 961011599 /nfs/dbraw/zinc/01/15/99/961011599.db2.gz IMZFNULCCORMLL-AWEZNQCLSA-N 2 2 268.401 1.816 10 30 CDEELP C#C[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001462466752 969693948 /nfs/dbraw/zinc/69/39/48/969693948.db2.gz KGBBOLHXSQIWFE-CYBMUJFWSA-N 2 2 250.386 1.367 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001499853900 974314456 /nfs/dbraw/zinc/31/44/56/974314456.db2.gz QBKAYYBKLAHDQJ-JSGCOSHPSA-N 2 2 290.411 1.806 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001501600215 974604617 /nfs/dbraw/zinc/60/46/17/974604617.db2.gz FGAMDYUVCIOBQP-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001501785734 974643245 /nfs/dbraw/zinc/64/32/45/974643245.db2.gz GGAKKBFGJJOGTJ-HUUCEWRRSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001501785734 974643248 /nfs/dbraw/zinc/64/32/48/974643248.db2.gz GGAKKBFGJJOGTJ-HUUCEWRRSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001502966126 974804870 /nfs/dbraw/zinc/80/48/70/974804870.db2.gz CCKDFKNGRJYQJX-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001502966126 974804874 /nfs/dbraw/zinc/80/48/74/974804874.db2.gz CCKDFKNGRJYQJX-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001505529515 974901484 /nfs/dbraw/zinc/90/14/84/974901484.db2.gz JSZZEBVDAIJOTN-UHFFFAOYSA-N 2 2 276.384 1.023 10 30 CDEELP C=C(Cl)C[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001377714527 975118687 /nfs/dbraw/zinc/11/86/87/975118687.db2.gz SYOKDHHFERVQFP-UHFFFAOYSA-N 2 2 296.802 1.510 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001378078316 975233671 /nfs/dbraw/zinc/23/36/71/975233671.db2.gz XPDVFKALSVPKBG-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001378078316 975233678 /nfs/dbraw/zinc/23/36/78/975233678.db2.gz XPDVFKALSVPKBG-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001378078316 975233684 /nfs/dbraw/zinc/23/36/84/975233684.db2.gz XPDVFKALSVPKBG-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001378078316 975233691 /nfs/dbraw/zinc/23/36/91/975233691.db2.gz XPDVFKALSVPKBG-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381335494 976764144 /nfs/dbraw/zinc/76/41/44/976764144.db2.gz PHXKPZWYKXLVJZ-UHFFFAOYSA-N 2 2 282.775 1.189 10 30 CDEELP C#CC[NH2+][C@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001570781664 1170279318 /nfs/dbraw/zinc/27/93/18/1170279318.db2.gz VWUNMEQINHAHGZ-CQSZACIVSA-N 2 2 290.411 1.357 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001571457683 1170437599 /nfs/dbraw/zinc/43/75/99/1170437599.db2.gz ZVIWTHGYAOSLRL-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001571457683 1170437602 /nfs/dbraw/zinc/43/76/02/1170437602.db2.gz ZVIWTHGYAOSLRL-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP Cc1cc(C#N)cc(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000587991551 342490369 /nfs/dbraw/zinc/49/03/69/342490369.db2.gz PCCUUFUJXMJKOL-UHFFFAOYSA-N 2 2 287.411 1.122 10 30 CDEELP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600750923 342247399 /nfs/dbraw/zinc/24/73/99/342247399.db2.gz XSCJOHCKOBRVJF-CABCVRRESA-N 2 2 295.427 1.132 10 30 CDEELP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600750923 342247400 /nfs/dbraw/zinc/24/74/00/342247400.db2.gz XSCJOHCKOBRVJF-CABCVRRESA-N 2 2 295.427 1.132 10 30 CDEELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611172006 346629220 /nfs/dbraw/zinc/62/92/20/346629220.db2.gz ZVORDQXZARDYHM-UHFFFAOYSA-N 2 2 282.351 1.009 10 30 CDEELP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528427518 356677197 /nfs/dbraw/zinc/67/71/97/356677197.db2.gz OXFOJIODWKFKIE-STQMWFEESA-N 2 2 274.368 1.264 10 30 CDEELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528427518 356677199 /nfs/dbraw/zinc/67/71/99/356677199.db2.gz OXFOJIODWKFKIE-STQMWFEESA-N 2 2 274.368 1.264 10 30 CDEELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000395193502 358083834 /nfs/dbraw/zinc/08/38/34/358083834.db2.gz DFJNQTFLZFMJKD-SNVBAGLBSA-N 2 2 250.371 1.446 10 30 CDEELP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000395193502 358083837 /nfs/dbraw/zinc/08/38/37/358083837.db2.gz DFJNQTFLZFMJKD-SNVBAGLBSA-N 2 2 250.371 1.446 10 30 CDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1CC ZINC000251634327 366538438 /nfs/dbraw/zinc/53/84/38/366538438.db2.gz MIDFWDIPCXBUQT-AXFHLTTASA-N 2 2 259.191 1.825 10 30 CDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1CC ZINC000251634327 366538448 /nfs/dbraw/zinc/53/84/48/366538448.db2.gz MIDFWDIPCXBUQT-AXFHLTTASA-N 2 2 259.191 1.825 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C1=O ZINC000337197322 360019318 /nfs/dbraw/zinc/01/93/18/360019318.db2.gz YKASEUVUJVGDQS-ILXRZTDVSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1=O ZINC000337197322 360019322 /nfs/dbraw/zinc/01/93/22/360019322.db2.gz YKASEUVUJVGDQS-ILXRZTDVSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)C1=O ZINC000337197322 360019327 /nfs/dbraw/zinc/01/93/27/360019327.db2.gz YKASEUVUJVGDQS-ILXRZTDVSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCN1CC[C@H]([N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)C1=O ZINC000337197322 360019329 /nfs/dbraw/zinc/01/93/29/360019329.db2.gz YKASEUVUJVGDQS-ILXRZTDVSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)nn1 ZINC000655939710 412954816 /nfs/dbraw/zinc/95/48/16/412954816.db2.gz UAQNCCHWCHOESN-TZMCWYRMSA-N 2 2 263.389 1.413 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)nn1 ZINC000655939710 412954819 /nfs/dbraw/zinc/95/48/19/412954819.db2.gz UAQNCCHWCHOESN-TZMCWYRMSA-N 2 2 263.389 1.413 10 30 CDEELP C=CC[C@@]1(C(=O)NCCc2cn3ccccc3[nH+]2)CCC[NH2+]1 ZINC000662671331 413286121 /nfs/dbraw/zinc/28/61/21/413286121.db2.gz NGHFILPZEWROEG-KRWDZBQOSA-N 2 2 298.390 1.691 10 30 CDEELP C[C@@]([NH3+])(C#N)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000045181570 175324578 /nfs/dbraw/zinc/32/45/78/175324578.db2.gz QGMLMLNUJIAIMH-HNNXBMFYSA-N 2 2 264.417 1.568 10 30 CDEELP C[C@@](N)(C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045181570 175324579 /nfs/dbraw/zinc/32/45/79/175324579.db2.gz QGMLMLNUJIAIMH-HNNXBMFYSA-N 2 2 264.417 1.568 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCN1CC[NH+](C2CC2)CC1 ZINC000045183314 175326115 /nfs/dbraw/zinc/32/61/15/175326115.db2.gz HRZPCQJIBNXXPM-HNNXBMFYSA-N 2 2 264.417 1.438 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000045314831 175357272 /nfs/dbraw/zinc/35/72/72/175357272.db2.gz QUZISGBIEGNKPE-DZKIICNBSA-N 2 2 294.443 1.633 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000045314831 175357273 /nfs/dbraw/zinc/35/72/73/175357273.db2.gz QUZISGBIEGNKPE-DZKIICNBSA-N 2 2 294.443 1.633 10 30 CDEELP C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CC[NH2+]C1 ZINC000071311307 176118267 /nfs/dbraw/zinc/11/82/67/176118267.db2.gz IMVGLZRNHPWXBP-NSHDSACASA-N 2 2 278.381 1.242 10 30 CDEELP C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CC[NH2+]C1 ZINC000071311307 176118268 /nfs/dbraw/zinc/11/82/68/176118268.db2.gz IMVGLZRNHPWXBP-NSHDSACASA-N 2 2 278.381 1.242 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401022 176153369 /nfs/dbraw/zinc/15/33/69/176153369.db2.gz OXIAMAVHFHYXGY-MRXNPFEDSA-N 2 2 287.407 1.797 10 30 CDEELP Cc1nc(N2CC[NH+]([C@@H](C)CCC#N)CC2)cc[nH+]1 ZINC000299489380 263243789 /nfs/dbraw/zinc/24/37/89/263243789.db2.gz ZZVOEGCPCPIKKR-LBPRGKRZSA-N 2 2 259.357 1.599 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043338 279225091 /nfs/dbraw/zinc/22/50/91/279225091.db2.gz YLEPPFVSJWCLMJ-HIFRSBDPSA-N 2 2 292.427 1.211 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043338 279225093 /nfs/dbraw/zinc/22/50/93/279225093.db2.gz YLEPPFVSJWCLMJ-HIFRSBDPSA-N 2 2 292.427 1.211 10 30 CDEELP N#Cc1csc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC000579531694 324210621 /nfs/dbraw/zinc/21/06/21/324210621.db2.gz FRYCMTAUCHZREG-VIFPVBQESA-N 2 2 259.338 1.316 10 30 CDEELP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000559185427 327145017 /nfs/dbraw/zinc/14/50/17/327145017.db2.gz FHLVTBWTNUAGSW-KBPBESRZSA-N 2 2 286.379 1.904 10 30 CDEELP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000559185428 327145057 /nfs/dbraw/zinc/14/50/57/327145057.db2.gz FHLVTBWTNUAGSW-KGLIPLIRSA-N 2 2 286.379 1.904 10 30 CDEELP C=CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000186707550 329347806 /nfs/dbraw/zinc/34/78/06/329347806.db2.gz VADZRTIRLNGHKW-INIZCTEOSA-N 2 2 275.396 1.573 10 30 CDEELP C=CCCC[NH+]1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001692238000 1159189037 /nfs/dbraw/zinc/18/90/37/1159189037.db2.gz BCCXVPIOQGJPFX-ZDUSSCGKSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001482052774 1159969255 /nfs/dbraw/zinc/96/92/55/1159969255.db2.gz XDRPJPOLIGKTPR-UHFFFAOYSA-N 2 2 276.384 1.287 10 30 CDEELP CC(C)[NH2+][C@](C#N)(CN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000069076908 519738947 /nfs/dbraw/zinc/73/89/47/519738947.db2.gz CMSBRAAXLGXKGW-MRXNPFEDSA-N 2 2 278.444 1.683 10 30 CDEELP CCC[NH2+][C@H](C#N)CCN1CC[NH+](C2CC2)CC1 ZINC000062437919 520059278 /nfs/dbraw/zinc/05/92/78/520059278.db2.gz BHENKVWNEJDFNB-ZDUSSCGKSA-N 2 2 250.390 1.048 10 30 CDEELP CC1(C)COCC[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609897 520504697 /nfs/dbraw/zinc/50/46/97/520504697.db2.gz PQLIECLATNTSCC-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP CC1(C)COCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609897 520504698 /nfs/dbraw/zinc/50/46/98/520504698.db2.gz PQLIECLATNTSCC-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP C[N@H+](Cc1cccc(C#CCO)c1)C1CC[NH+](C)CC1 ZINC000049616550 523290955 /nfs/dbraw/zinc/29/09/55/523290955.db2.gz VXGNDLAJUYUPPW-UHFFFAOYSA-N 2 2 272.392 1.556 10 30 CDEELP C[N@@H+](Cc1cccc(C#CCO)c1)C1CC[NH+](C)CC1 ZINC000049616550 523290961 /nfs/dbraw/zinc/29/09/61/523290961.db2.gz VXGNDLAJUYUPPW-UHFFFAOYSA-N 2 2 272.392 1.556 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001671359493 1158717445 /nfs/dbraw/zinc/71/74/45/1158717445.db2.gz HUDHZZHDHQNBAP-CYBMUJFWSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691117017 1158918561 /nfs/dbraw/zinc/91/85/61/1158918561.db2.gz GFWIMCDBQVPVOK-MCIONIFRSA-N 2 2 290.411 1.791 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001670695556 1158695491 /nfs/dbraw/zinc/69/54/91/1158695491.db2.gz BSYWXDZKLZPUOU-QWHCGFSZSA-N 2 2 262.357 1.211 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001670695556 1158695492 /nfs/dbraw/zinc/69/54/92/1158695492.db2.gz BSYWXDZKLZPUOU-QWHCGFSZSA-N 2 2 262.357 1.211 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267012832 1159078726 /nfs/dbraw/zinc/07/87/26/1159078726.db2.gz IAPOKGNXHIBTRW-KGLIPLIRSA-N 2 2 288.395 1.212 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267147613 1159138805 /nfs/dbraw/zinc/13/88/05/1159138805.db2.gz CGFIMARFLZFKBB-OLZOCXBDSA-N 2 2 276.384 1.096 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267147613 1159138806 /nfs/dbraw/zinc/13/88/06/1159138806.db2.gz CGFIMARFLZFKBB-OLZOCXBDSA-N 2 2 276.384 1.096 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001483669189 1161047989 /nfs/dbraw/zinc/04/79/89/1161047989.db2.gz RBWDSGRXYUWWSJ-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001483669189 1161047993 /nfs/dbraw/zinc/04/79/93/1161047993.db2.gz RBWDSGRXYUWWSJ-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001569203200 1169719560 /nfs/dbraw/zinc/71/95/60/1169719560.db2.gz PHFLDNNIKFYZKA-UHFFFAOYSA-N 2 2 286.379 1.880 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001571482295 1170448565 /nfs/dbraw/zinc/44/85/65/1170448565.db2.gz BYFYKYVKEYMUEU-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001662984223 1172624076 /nfs/dbraw/zinc/62/40/76/1172624076.db2.gz QCYFHWTYPHOJQG-ZIAGYGMSSA-N 2 2 276.384 1.342 10 30 CDEELP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001675759356 1174145702 /nfs/dbraw/zinc/14/57/02/1174145702.db2.gz JCRFRJPUVOWKPL-MQMHXKEQSA-N 2 2 296.374 1.684 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001690484396 1175479637 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C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001699145571 1176111362 /nfs/dbraw/zinc/11/13/62/1176111362.db2.gz SCUPPORTFCKGAI-GFCCVEGCSA-N 2 2 278.400 1.597 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001699506403 1176454740 /nfs/dbraw/zinc/45/47/40/1176454740.db2.gz FUFVCRRCYYIKJV-HIFRSBDPSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001699506403 1176454747 /nfs/dbraw/zinc/45/47/47/1176454747.db2.gz FUFVCRRCYYIKJV-HIFRSBDPSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001699657893 1176553076 /nfs/dbraw/zinc/55/30/76/1176553076.db2.gz MWESVGSVBMKHDP-UHFFFAOYSA-N 2 2 282.347 1.210 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001699945459 1176691425 /nfs/dbraw/zinc/69/14/25/1176691425.db2.gz UMNVZDTWGMNJFT-KBPBESRZSA-N 2 2 298.390 1.961 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001699969697 1176701854 /nfs/dbraw/zinc/70/18/54/1176701854.db2.gz INIISXRUCUYBSI-KBPBESRZSA-N 2 2 290.411 1.603 10 30 CDEELP C#CCC[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700465314 1176954801 /nfs/dbraw/zinc/95/48/01/1176954801.db2.gz CLTAKLUKBSPKGL-GFCCVEGCSA-N 2 2 284.363 1.636 10 30 CDEELP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700465314 1176954803 /nfs/dbraw/zinc/95/48/03/1176954803.db2.gz CLTAKLUKBSPKGL-GFCCVEGCSA-N 2 2 284.363 1.636 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713084156 1178356315 /nfs/dbraw/zinc/35/63/15/1178356315.db2.gz PJAICQDLPKVSHV-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713084156 1178356324 /nfs/dbraw/zinc/35/63/24/1178356324.db2.gz PJAICQDLPKVSHV-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713084156 1178356333 /nfs/dbraw/zinc/35/63/33/1178356333.db2.gz PJAICQDLPKVSHV-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713084156 1178356339 /nfs/dbraw/zinc/35/63/39/1178356339.db2.gz PJAICQDLPKVSHV-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001713089956 1178360853 /nfs/dbraw/zinc/36/08/53/1178360853.db2.gz ZBPFMFGRGYXFRK-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001713089956 1178360861 /nfs/dbraw/zinc/36/08/61/1178360861.db2.gz ZBPFMFGRGYXFRK-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C#CC[NH2+]C[C@@](C)(NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001714177820 1179003087 /nfs/dbraw/zinc/00/30/87/1179003087.db2.gz NLSOYKOGVREQBH-MRXNPFEDSA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001714565158 1179220992 /nfs/dbraw/zinc/22/09/92/1179220992.db2.gz VILFJKDXHCFYLD-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001714565158 1179220999 /nfs/dbraw/zinc/22/09/99/1179220999.db2.gz VILFJKDXHCFYLD-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001714565158 1179221005 /nfs/dbraw/zinc/22/10/05/1179221005.db2.gz VILFJKDXHCFYLD-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001714565158 1179221010 /nfs/dbraw/zinc/22/10/10/1179221010.db2.gz VILFJKDXHCFYLD-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001714621584 1179273971 /nfs/dbraw/zinc/27/39/71/1179273971.db2.gz HOBHKLCHSKOTII-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001714621584 1179273977 /nfs/dbraw/zinc/27/39/77/1179273977.db2.gz HOBHKLCHSKOTII-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001715340316 1179633865 /nfs/dbraw/zinc/63/38/65/1179633865.db2.gz QJNRCNMVXOVZBV-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001715423475 1179663813 /nfs/dbraw/zinc/66/38/13/1179663813.db2.gz RNFGTGBEFKRECG-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21 ZINC001715840753 1179860687 /nfs/dbraw/zinc/86/06/87/1179860687.db2.gz FDMGYDYUIFBSDL-ARJAWSKDSA-N 2 2 270.336 1.396 10 30 CDEELP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001716662416 1180349714 /nfs/dbraw/zinc/34/97/14/1180349714.db2.gz HFSVSTGTHMWKBN-GJZGRUSLSA-N 2 2 279.428 1.321 10 30 CDEELP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001716662416 1180349721 /nfs/dbraw/zinc/34/97/21/1180349721.db2.gz HFSVSTGTHMWKBN-GJZGRUSLSA-N 2 2 279.428 1.321 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001725050085 1181835610 /nfs/dbraw/zinc/83/56/10/1181835610.db2.gz POARLZPSOPYFSW-GFCCVEGCSA-N 2 2 262.357 1.061 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001725050085 1181835615 /nfs/dbraw/zinc/83/56/15/1181835615.db2.gz POARLZPSOPYFSW-GFCCVEGCSA-N 2 2 262.357 1.061 10 30 CDEELP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001725151005 1181884277 /nfs/dbraw/zinc/88/42/77/1181884277.db2.gz NEBURRIXKANUTN-UHFFFAOYSA-N 2 2 278.400 1.533 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001725557472 1182048949 /nfs/dbraw/zinc/04/89/49/1182048949.db2.gz GVSLNDDGTURZGG-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001731527823 1182435263 /nfs/dbraw/zinc/43/52/63/1182435263.db2.gz BLGHMEMJRMRFFO-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP CC#CC[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001731778270 1182570267 /nfs/dbraw/zinc/57/02/67/1182570267.db2.gz DDRJCADHMJBTES-UHFFFAOYSA-N 2 2 296.374 1.557 10 30 CDEELP CC#CC[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001731778270 1182570274 /nfs/dbraw/zinc/57/02/74/1182570274.db2.gz DDRJCADHMJBTES-UHFFFAOYSA-N 2 2 296.374 1.557 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731863287 1182634821 /nfs/dbraw/zinc/63/48/21/1182634821.db2.gz YYFNYFAFLVBVBC-AWEZNQCLSA-N 2 2 290.411 1.665 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731863287 1182634825 /nfs/dbraw/zinc/63/48/25/1182634825.db2.gz YYFNYFAFLVBVBC-AWEZNQCLSA-N 2 2 290.411 1.665 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001732205479 1182856953 /nfs/dbraw/zinc/85/69/53/1182856953.db2.gz JBENHIOYOGXYCE-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733341920 1183403437 /nfs/dbraw/zinc/40/34/37/1183403437.db2.gz LGYBWSUNNRCEMT-HNNXBMFYSA-N 2 2 296.374 1.470 10 30 CDEELP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733465957 1183440616 /nfs/dbraw/zinc/44/06/16/1183440616.db2.gz STDYOEDUAHCSQG-MRXNPFEDSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733465957 1183440619 /nfs/dbraw/zinc/44/06/19/1183440619.db2.gz STDYOEDUAHCSQG-MRXNPFEDSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[NH2+]CCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001734245001 1183703081 /nfs/dbraw/zinc/70/30/81/1183703081.db2.gz NSAGFURWJFVCJY-AWEZNQCLSA-N 2 2 298.390 1.846 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198416 698219114 /nfs/dbraw/zinc/21/91/14/698219114.db2.gz VLHWMIVSHALJKA-MELADBBJSA-N 2 2 266.385 1.520 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198416 698219128 /nfs/dbraw/zinc/21/91/28/698219128.db2.gz VLHWMIVSHALJKA-MELADBBJSA-N 2 2 266.385 1.520 10 30 CDEELP C=CC[C@H](C(=O)OC)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878198416 698219142 /nfs/dbraw/zinc/21/91/42/698219142.db2.gz VLHWMIVSHALJKA-MELADBBJSA-N 2 2 266.385 1.520 10 30 CDEELP C=CC[C@H](C(=O)OC)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878198416 698219156 /nfs/dbraw/zinc/21/91/56/698219156.db2.gz VLHWMIVSHALJKA-MELADBBJSA-N 2 2 266.385 1.520 10 30 CDEELP CC#CC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001276138644 1166736559 /nfs/dbraw/zinc/73/65/59/1166736559.db2.gz PBPHKNLUDSFGER-HNNXBMFYSA-N 2 2 290.411 1.438 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392722313 977567114 /nfs/dbraw/zinc/56/71/14/977567114.db2.gz FVBSBMNWPCAFTC-LBPRGKRZSA-N 2 2 273.808 1.271 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392722313 977567120 /nfs/dbraw/zinc/56/71/20/977567120.db2.gz FVBSBMNWPCAFTC-LBPRGKRZSA-N 2 2 273.808 1.271 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C#Cc1cccs1 ZINC000855417387 848350355 /nfs/dbraw/zinc/35/03/55/848350355.db2.gz FSPMBMUYVOEJET-UHFFFAOYSA-N 2 2 293.436 1.099 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C#Cc1cccs1 ZINC000855417387 848350367 /nfs/dbraw/zinc/35/03/67/848350367.db2.gz FSPMBMUYVOEJET-UHFFFAOYSA-N 2 2 293.436 1.099 10 30 CDEELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H](O)CC#N)C2 ZINC000931614385 848519846 /nfs/dbraw/zinc/51/98/46/848519846.db2.gz ZEKMWVDMRHHBPI-KURKYZTESA-N 2 2 299.418 1.715 10 30 CDEELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H](O)CC#N)C2 ZINC000931614385 848519858 /nfs/dbraw/zinc/51/98/58/848519858.db2.gz ZEKMWVDMRHHBPI-KURKYZTESA-N 2 2 299.418 1.715 10 30 CDEELP C[C@]12C[NH+](C[C@H](O)CC#N)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000931614385 848519861 /nfs/dbraw/zinc/51/98/61/848519861.db2.gz ZEKMWVDMRHHBPI-KURKYZTESA-N 2 2 299.418 1.715 10 30 CDEELP C[C@]12C[NH+](C[C@H](O)CC#N)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000931614385 848519867 /nfs/dbraw/zinc/51/98/67/848519867.db2.gz ZEKMWVDMRHHBPI-KURKYZTESA-N 2 2 299.418 1.715 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC000855417260 848873083 /nfs/dbraw/zinc/87/30/83/848873083.db2.gz FHKOVHOOXAWFOM-UHFFFAOYSA-N 2 2 267.417 1.036 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC000855417260 848873088 /nfs/dbraw/zinc/87/30/88/848873088.db2.gz FHKOVHOOXAWFOM-UHFFFAOYSA-N 2 2 267.417 1.036 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000876753557 849430640 /nfs/dbraw/zinc/43/06/40/849430640.db2.gz HGKYSNQHRZZQIM-CYBMUJFWSA-N 2 2 293.798 1.935 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000876753557 849430642 /nfs/dbraw/zinc/43/06/42/849430642.db2.gz HGKYSNQHRZZQIM-CYBMUJFWSA-N 2 2 293.798 1.935 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001266498005 895070488 /nfs/dbraw/zinc/07/04/88/895070488.db2.gz OSVZBRPBLUJWDG-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001266498005 895070507 /nfs/dbraw/zinc/07/05/07/895070507.db2.gz OSVZBRPBLUJWDG-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001267093604 896762169 /nfs/dbraw/zinc/76/21/69/896762169.db2.gz MKZPBUUUFHFUML-GJZGRUSLSA-N 2 2 290.411 1.866 10 30 CDEELP CC#CC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001267222206 897200288 /nfs/dbraw/zinc/20/02/88/897200288.db2.gz ILUYRKZKZMSVNJ-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP C#CCC[N@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481002899 898457559 /nfs/dbraw/zinc/45/75/59/898457559.db2.gz UPAOLBJJHJDBCK-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C#CCC[N@@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481002899 898457565 /nfs/dbraw/zinc/45/75/65/898457565.db2.gz UPAOLBJJHJDBCK-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073587 898734701 /nfs/dbraw/zinc/73/47/01/898734701.db2.gz OVQMPDWWINMDSD-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073587 898734711 /nfs/dbraw/zinc/73/47/11/898734711.db2.gz OVQMPDWWINMDSD-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001267838554 899849365 /nfs/dbraw/zinc/84/93/65/899849365.db2.gz LGXSUSZLPRBYKQ-CHWSQXEVSA-N 2 2 288.395 1.718 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001267838554 899849372 /nfs/dbraw/zinc/84/93/72/899849372.db2.gz LGXSUSZLPRBYKQ-CHWSQXEVSA-N 2 2 288.395 1.718 10 30 CDEELP C#CCC[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001267845700 899859671 /nfs/dbraw/zinc/85/96/71/899859671.db2.gz XPHHKOCPBWHEGJ-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268240969 901648195 /nfs/dbraw/zinc/64/81/95/901648195.db2.gz RYIOKJGISIYCIP-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268240969 901648199 /nfs/dbraw/zinc/64/81/99/901648199.db2.gz RYIOKJGISIYCIP-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C#CC[NH2+]C[C@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001481944768 902386968 /nfs/dbraw/zinc/38/69/68/902386968.db2.gz UMOMGUNWUXRHCG-BBRMVZONSA-N 2 2 288.395 1.342 10 30 CDEELP CC#CC[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268555038 902556107 /nfs/dbraw/zinc/55/61/07/902556107.db2.gz 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575403719 /nfs/dbraw/zinc/40/37/19/575403719.db2.gz GPPVOSMXPWXSMG-GOEBONIOSA-N 2 2 260.381 1.433 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691119896 1158920072 /nfs/dbraw/zinc/92/00/72/1158920072.db2.gz ASTZVACNKCUBHG-MELADBBJSA-N 2 2 290.411 1.791 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267147611 1159138733 /nfs/dbraw/zinc/13/87/33/1159138733.db2.gz CGFIMARFLZFKBB-CHWSQXEVSA-N 2 2 276.384 1.096 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267147611 1159138735 /nfs/dbraw/zinc/13/87/35/1159138735.db2.gz CGFIMARFLZFKBB-CHWSQXEVSA-N 2 2 276.384 1.096 10 30 CDEELP C=CC[N@@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2C1 ZINC001274045119 1166568984 /nfs/dbraw/zinc/56/89/84/1166568984.db2.gz SYMVAPBCOLFMCC-UHFFFAOYSA-N 2 2 296.374 1.701 10 30 CDEELP C=CC[N@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2C1 ZINC001274045119 1166568994 /nfs/dbraw/zinc/56/89/94/1166568994.db2.gz SYMVAPBCOLFMCC-UHFFFAOYSA-N 2 2 296.374 1.701 10 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C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001713510915 1178617129 /nfs/dbraw/zinc/61/71/29/1178617129.db2.gz JRLJNBQVZJOLEL-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001713510915 1178617132 /nfs/dbraw/zinc/61/71/32/1178617132.db2.gz JRLJNBQVZJOLEL-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001714794823 1179401173 /nfs/dbraw/zinc/40/11/73/1179401173.db2.gz KJIRGMHCPSBUEB-OLZOCXBDSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001714794823 1179401176 /nfs/dbraw/zinc/40/11/76/1179401176.db2.gz KJIRGMHCPSBUEB-OLZOCXBDSA-N 2 2 276.384 1.048 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001715121478 1179558975 /nfs/dbraw/zinc/55/89/75/1179558975.db2.gz HSJZMKRLVHGIGX-INIZCTEOSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001715239026 1179592619 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C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccncc3C#N)CC[C@H]21 ZINC000592073547 342663803 /nfs/dbraw/zinc/66/38/03/342663803.db2.gz GVLSZHQHIKUDSX-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657875668 539112527 /nfs/dbraw/zinc/11/25/27/539112527.db2.gz NXLOQXAOKZZCOM-AWEZNQCLSA-N 2 2 250.386 1.938 10 30 CDEELP N#Cc1cccc2c1C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000595895920 343183261 /nfs/dbraw/zinc/18/32/61/343183261.db2.gz BPLUKSGAWJUDBK-CQSZACIVSA-N 2 2 269.348 1.395 10 30 CDEELP N#Cc1cccc2c1C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000595895920 343183262 /nfs/dbraw/zinc/18/32/62/343183262.db2.gz BPLUKSGAWJUDBK-CQSZACIVSA-N 2 2 269.348 1.395 10 30 CDEELP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595977426 343209125 /nfs/dbraw/zinc/20/91/25/343209125.db2.gz IRGJFOJEDZCMRO-NEPJUHHUSA-N 2 2 277.372 1.491 10 30 CDEELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598705426 343877395 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Cc1cc(NC[C@@H]2CCc3[nH+]ccn3C2)c(C#N)c(C)[nH+]1 ZINC000328624732 351305804 /nfs/dbraw/zinc/30/58/04/351305804.db2.gz KCQDDXFKPMMADM-ZDUSSCGKSA-N 2 2 281.363 1.863 10 30 CDEELP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1F ZINC000571653911 359597267 /nfs/dbraw/zinc/59/72/67/359597267.db2.gz LEHJABAQJYENGL-UHFFFAOYSA-N 2 2 285.326 1.743 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001661694298 1172428531 /nfs/dbraw/zinc/42/85/31/1172428531.db2.gz JXZMCDLIGCLJET-GASCZTMLSA-N 2 2 290.411 1.866 10 30 CDEELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCC#N)CC2)C1 ZINC000105845682 374426779 /nfs/dbraw/zinc/42/67/79/374426779.db2.gz OMSSDUCTIDTTGM-MRXNPFEDSA-N 2 2 294.443 1.017 10 30 CDEELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCC#N)CC2)C1 ZINC000105845682 374426797 /nfs/dbraw/zinc/42/67/97/374426797.db2.gz OMSSDUCTIDTTGM-MRXNPFEDSA-N 2 2 294.443 1.017 10 30 CDEELP N#Cc1cccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449389071 374805890 /nfs/dbraw/zinc/80/58/90/374805890.db2.gz BVMIPJWPIWIECD-MRXNPFEDSA-N 2 2 273.380 1.495 10 30 CDEELP N#Cc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449389071 374805892 /nfs/dbraw/zinc/80/58/92/374805892.db2.gz BVMIPJWPIWIECD-MRXNPFEDSA-N 2 2 273.380 1.495 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000655940945 412954638 /nfs/dbraw/zinc/95/46/38/412954638.db2.gz IBKIZHQPNKTHHD-JSGCOSHPSA-N 2 2 261.373 1.038 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000655940945 412954644 /nfs/dbraw/zinc/95/46/44/412954644.db2.gz IBKIZHQPNKTHHD-JSGCOSHPSA-N 2 2 261.373 1.038 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210476 391153938 /nfs/dbraw/zinc/15/39/38/391153938.db2.gz VBMSORCTRROPCY-UHFFFAOYSA-N 2 2 288.395 1.790 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374210476 391153940 /nfs/dbraw/zinc/15/39/40/391153940.db2.gz VBMSORCTRROPCY-UHFFFAOYSA-N 2 2 288.395 1.790 10 30 CDEELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C#N)cc1F ZINC000423547505 392964698 /nfs/dbraw/zinc/96/46/98/392964698.db2.gz DKKHRAWGCDTPFZ-CMPLNLGQSA-N 2 2 263.316 1.336 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cncnc2OC)CC1 ZINC000647181332 398006117 /nfs/dbraw/zinc/00/61/17/398006117.db2.gz XDGFUXBHNDSNSH-UHFFFAOYSA-N 2 2 262.357 1.225 10 30 CDEELP CC(C)NC(=O)C[N@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043684209 175093242 /nfs/dbraw/zinc/09/32/42/175093242.db2.gz UZKZZTSCAVBOAK-UHFFFAOYSA-N 2 2 279.409 1.015 10 30 CDEELP CC(C)NC(=O)C[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043684209 175093243 /nfs/dbraw/zinc/09/32/43/175093243.db2.gz UZKZZTSCAVBOAK-UHFFFAOYSA-N 2 2 279.409 1.015 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+](C2CC2)CC1 ZINC000045183316 175326414 /nfs/dbraw/zinc/32/64/14/175326414.db2.gz HRZPCQJIBNXXPM-OAHLLOKOSA-N 2 2 264.417 1.438 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306056 175356034 /nfs/dbraw/zinc/35/60/34/175356034.db2.gz CLWOWSNXLOVQJC-HNNXBMFYSA-N 2 2 280.416 1.246 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001666992593 1173217897 /nfs/dbraw/zinc/21/78/97/1173217897.db2.gz RADQHPRHCTWHEK-BFHYXJOUSA-N 2 2 290.411 1.536 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483356398 1160912513 /nfs/dbraw/zinc/91/25/13/1160912513.db2.gz LADJRGJNCQQQLU-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483356398 1160912518 /nfs/dbraw/zinc/91/25/18/1160912518.db2.gz LADJRGJNCQQQLU-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP CC(C)[NH2+][C@@H](C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062437503 519733650 /nfs/dbraw/zinc/73/36/50/519733650.db2.gz WEZJYJMBQTWNIY-CQSZACIVSA-N 2 2 266.433 1.683 10 30 CDEELP CC(C)N[C@@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079713 519735129 /nfs/dbraw/zinc/73/51/29/519735129.db2.gz AYSHUFOEHPYQHL-KRWDZBQOSA-N 2 2 292.471 1.930 10 30 CDEELP CC[NH+]1CCC(N(C)C[C@@]([NH3+])(C#N)C2CC2)CC1 ZINC000069080099 521565406 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C=CC[N@H+](C)CCN(CC)C(=O)CCc1c[nH+]cn1C ZINC001635757536 1166617518 /nfs/dbraw/zinc/61/75/18/1166617518.db2.gz AYDSMTKRORBKQW-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C#CC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001570382344 1170148473 /nfs/dbraw/zinc/14/84/73/1170148473.db2.gz MZFPRKZNLYEYOH-AWEZNQCLSA-N 2 2 288.395 1.438 10 30 CDEELP C#CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC1CC1 ZINC001652933100 1171491453 /nfs/dbraw/zinc/49/14/53/1171491453.db2.gz WZXZCWVXVHMXAH-SFHVURJKSA-N 2 2 286.419 1.825 10 30 CDEELP C#CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC1CC1 ZINC001652933100 1171491455 /nfs/dbraw/zinc/49/14/55/1171491455.db2.gz WZXZCWVXVHMXAH-SFHVURJKSA-N 2 2 286.419 1.825 10 30 CDEELP C#CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)CC1CC1 ZINC001652933100 1171491458 /nfs/dbraw/zinc/49/14/58/1171491458.db2.gz WZXZCWVXVHMXAH-SFHVURJKSA-N 2 2 286.419 1.825 10 30 CDEELP C#CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)CC1CC1 ZINC001652933100 1171491462 /nfs/dbraw/zinc/49/14/62/1171491462.db2.gz WZXZCWVXVHMXAH-SFHVURJKSA-N 2 2 286.419 1.825 10 30 CDEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001698647630 1175885498 /nfs/dbraw/zinc/88/54/98/1175885498.db2.gz BJZKIIUDLHTCDZ-MRXNPFEDSA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001698871565 1175974233 /nfs/dbraw/zinc/97/42/33/1175974233.db2.gz OERGSDWJXASWNG-CQSZACIVSA-N 2 2 276.384 1.027 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001699488131 1176440608 /nfs/dbraw/zinc/44/06/08/1176440608.db2.gz PFQZGACINZBEGY-KGLIPLIRSA-N 2 2 288.395 1.158 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001700270383 1176825867 /nfs/dbraw/zinc/82/58/67/1176825867.db2.gz CICZBGZPWJOHDG-RISCZKNCSA-N 2 2 276.384 1.273 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001700875788 1177173819 /nfs/dbraw/zinc/17/38/19/1177173819.db2.gz JIEOSXWQCBFNET-GXTWGEPZSA-N 2 2 276.384 1.497 10 30 CDEELP 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CC#CC[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480268026 971653788 /nfs/dbraw/zinc/65/37/88/971653788.db2.gz GBRWUFUFJGGBHO-AWEZNQCLSA-N 2 2 288.395 1.112 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001326859362 954591914 /nfs/dbraw/zinc/59/19/14/954591914.db2.gz JQHYLHWGKFQVHH-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C#CC[NH2+]CCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001491902312 955498693 /nfs/dbraw/zinc/49/86/93/955498693.db2.gz OYPHVNBQDDDJLE-UHFFFAOYSA-N 2 2 296.374 1.034 10 30 CDEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001493839543 972123769 /nfs/dbraw/zinc/12/37/69/972123769.db2.gz IRUXBLWLFGJEMR-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001492304807 955787594 /nfs/dbraw/zinc/78/75/94/955787594.db2.gz ZHYBXMRMXLJCBL-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001492304807 955787607 /nfs/dbraw/zinc/78/76/07/955787607.db2.gz ZHYBXMRMXLJCBL-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001492304807 955787626 /nfs/dbraw/zinc/78/76/26/955787626.db2.gz ZHYBXMRMXLJCBL-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001492304807 955787631 /nfs/dbraw/zinc/78/76/31/955787631.db2.gz ZHYBXMRMXLJCBL-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317452082 956316972 /nfs/dbraw/zinc/31/69/72/956316972.db2.gz VHBBKLDHHDFINR-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317452082 956316988 /nfs/dbraw/zinc/31/69/88/956316988.db2.gz VHBBKLDHHDFINR-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001317513187 956769828 /nfs/dbraw/zinc/76/98/28/956769828.db2.gz IJNCQQKBSTWPSI-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001317513187 956769835 /nfs/dbraw/zinc/76/98/35/956769835.db2.gz IJNCQQKBSTWPSI-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317513187 956769841 /nfs/dbraw/zinc/76/98/41/956769841.db2.gz IJNCQQKBSTWPSI-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001317513187 956769848 /nfs/dbraw/zinc/76/98/48/956769848.db2.gz IJNCQQKBSTWPSI-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001331516322 957111555 /nfs/dbraw/zinc/11/15/55/957111555.db2.gz LNIVIGLCABNWJI-AWEZNQCLSA-N 2 2 292.427 1.755 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322204901 960131410 /nfs/dbraw/zinc/13/14/10/960131410.db2.gz CJUIDCODEWAZDE-GFCCVEGCSA-N 2 2 272.352 1.570 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322204901 960131418 /nfs/dbraw/zinc/13/14/18/960131418.db2.gz CJUIDCODEWAZDE-GFCCVEGCSA-N 2 2 272.352 1.570 10 30 CDEELP C#CCC[NH2+]CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001495428583 972497279 /nfs/dbraw/zinc/49/72/79/972497279.db2.gz MSYLMWPYEPDFNP-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001323242378 960578146 /nfs/dbraw/zinc/57/81/46/960578146.db2.gz MLSUDRSEBAHXHS-CHWSQXEVSA-N 2 2 271.380 1.043 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001323242378 960578158 /nfs/dbraw/zinc/57/81/58/960578158.db2.gz MLSUDRSEBAHXHS-CHWSQXEVSA-N 2 2 271.380 1.043 10 30 CDEELP C=C(C[NH+](C)C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001442671235 965170831 /nfs/dbraw/zinc/17/08/31/965170831.db2.gz XIUIFPFAPLLIFN-UHFFFAOYSA-N 2 2 258.325 1.699 10 30 CDEELP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC001348271557 965905678 /nfs/dbraw/zinc/90/56/78/965905678.db2.gz PCAYBGJBUZTHKI-HZSPNIEDSA-N 2 2 250.386 1.630 10 30 CDEELP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC001348271557 965905686 /nfs/dbraw/zinc/90/56/86/965905686.db2.gz PCAYBGJBUZTHKI-HZSPNIEDSA-N 2 2 250.386 1.630 10 30 CDEELP CCN(C)c1ccc(C=[NH+]NCCCn2cc[nH+]c2)cn1 ZINC000848417286 969080668 /nfs/dbraw/zinc/08/06/68/969080668.db2.gz SRBHLLUNPZFAEM-UHFFFAOYSA-N 2 2 286.383 1.748 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498284703 973812007 /nfs/dbraw/zinc/81/20/07/973812007.db2.gz XWBNHHDDMRCKNT-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP C#CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498284703 973812014 /nfs/dbraw/zinc/81/20/14/973812014.db2.gz XWBNHHDDMRCKNT-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001503013301 974807491 /nfs/dbraw/zinc/80/74/91/974807491.db2.gz DKCUXHXLWNEHTG-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001503013301 974807495 /nfs/dbraw/zinc/80/74/95/974807495.db2.gz DKCUXHXLWNEHTG-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C#CC[NH2+][C@H](CCN(C)C(=O)CCn1cc[nH+]c1)C(C)C ZINC001506385929 975144741 /nfs/dbraw/zinc/14/47/41/975144741.db2.gz IGRUNOCZHAMVBK-OAHLLOKOSA-N 2 2 290.411 1.369 10 30 CDEELP C=CCC[NH+]1CC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001506658980 975199240 /nfs/dbraw/zinc/19/92/40/975199240.db2.gz KVRFXUFSSCKOMA-KGLIPLIRSA-N 2 2 290.411 1.847 10 30 CDEELP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001507032584 975299828 /nfs/dbraw/zinc/29/98/28/975299828.db2.gz HGJGHHMONSBJNY-OAHLLOKOSA-N 2 2 288.395 1.111 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001400257015 976953830 /nfs/dbraw/zinc/95/38/30/976953830.db2.gz ZDIDTARQGUBGPR-CYBMUJFWSA-N 2 2 296.802 1.416 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001400257015 976953840 /nfs/dbraw/zinc/95/38/40/976953840.db2.gz ZDIDTARQGUBGPR-CYBMUJFWSA-N 2 2 296.802 1.416 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392728797 977575205 /nfs/dbraw/zinc/57/52/05/977575205.db2.gz VWGPKNOPTIZJGB-OLZOCXBDSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392728797 977575211 /nfs/dbraw/zinc/57/52/11/977575211.db2.gz VWGPKNOPTIZJGB-OLZOCXBDSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392728797 977575215 /nfs/dbraw/zinc/57/52/15/977575215.db2.gz VWGPKNOPTIZJGB-OLZOCXBDSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392728797 977575222 /nfs/dbraw/zinc/57/52/22/977575222.db2.gz VWGPKNOPTIZJGB-OLZOCXBDSA-N 2 2 287.835 1.517 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001675751691 1174145454 /nfs/dbraw/zinc/14/54/54/1174145454.db2.gz KLCLSBAANGYBED-AULYBMBSSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001675751691 1174145460 /nfs/dbraw/zinc/14/54/60/1174145460.db2.gz KLCLSBAANGYBED-AULYBMBSSA-N 2 2 262.357 1.013 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001676460856 1174229068 /nfs/dbraw/zinc/22/90/68/1174229068.db2.gz BAVRRVXTJLXCGS-KGLIPLIRSA-N 2 2 292.427 1.754 10 30 CDEELP C#CCC[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001570204170 1170111709 /nfs/dbraw/zinc/11/17/09/1170111709.db2.gz HMVDINGBGRFPKD-UHFFFAOYSA-N 2 2 276.384 1.077 10 30 CDEELP C#CCC[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001570204170 1170111711 /nfs/dbraw/zinc/11/17/11/1170111711.db2.gz HMVDINGBGRFPKD-UHFFFAOYSA-N 2 2 276.384 1.077 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001571372784 1170388799 /nfs/dbraw/zinc/38/87/99/1170388799.db2.gz UOQAZYQREWFOJS-OAHLLOKOSA-N 2 2 290.411 1.663 10 30 CDEELP C=CC[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000351605518 361796392 /nfs/dbraw/zinc/79/63/92/361796392.db2.gz OBTNVMZSCUVRBT-NSHDSACASA-N 2 2 263.366 1.960 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000600734427 342245958 /nfs/dbraw/zinc/24/59/58/342245958.db2.gz PIBCGYFOAZMYSF-CABCVRRESA-N 2 2 277.412 1.648 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000600734427 342245959 /nfs/dbraw/zinc/24/59/59/342245959.db2.gz PIBCGYFOAZMYSF-CABCVRRESA-N 2 2 277.412 1.648 10 30 CDEELP Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1C#N ZINC000600710579 349876781 /nfs/dbraw/zinc/87/67/81/349876781.db2.gz OXJJBRFBPXAQFC-OAHLLOKOSA-N 2 2 259.353 1.416 10 30 CDEELP Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1C#N ZINC000600710579 349876782 /nfs/dbraw/zinc/87/67/82/349876782.db2.gz OXJJBRFBPXAQFC-OAHLLOKOSA-N 2 2 259.353 1.416 10 30 CDEELP N#Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000610993144 346568961 /nfs/dbraw/zinc/56/89/61/346568961.db2.gz FKFNHVIEYFHIKF-OAHLLOKOSA-N 2 2 270.380 1.871 10 30 CDEELP N#Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000610993144 346568965 /nfs/dbraw/zinc/56/89/65/346568965.db2.gz FKFNHVIEYFHIKF-OAHLLOKOSA-N 2 2 270.380 1.871 10 30 CDEELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccncc1C#N ZINC000592086520 358585603 /nfs/dbraw/zinc/58/56/03/358585603.db2.gz LGQSWLBLJZRRRK-UHFFFAOYSA-N 2 2 287.411 1.023 10 30 CDEELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccncc1C#N ZINC000592086520 358585607 /nfs/dbraw/zinc/58/56/07/358585607.db2.gz LGQSWLBLJZRRRK-UHFFFAOYSA-N 2 2 287.411 1.023 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943880 364052698 /nfs/dbraw/zinc/05/26/98/364052698.db2.gz DVAMDHRCKNBLOL-IUODEOHRSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000581943880 364052703 /nfs/dbraw/zinc/05/27/03/364052703.db2.gz DVAMDHRCKNBLOL-IUODEOHRSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943880 364052710 /nfs/dbraw/zinc/05/27/10/364052710.db2.gz DVAMDHRCKNBLOL-IUODEOHRSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943880 364052717 /nfs/dbraw/zinc/05/27/17/364052717.db2.gz DVAMDHRCKNBLOL-IUODEOHRSA-N 2 2 298.394 1.515 10 30 CDEELP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1C#N ZINC000449393753 374805801 /nfs/dbraw/zinc/80/58/01/374805801.db2.gz CYJSEZJWHPWHHA-QGZVFWFLSA-N 2 2 287.407 1.803 10 30 CDEELP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1C#N ZINC000449393753 374805804 /nfs/dbraw/zinc/80/58/04/374805804.db2.gz CYJSEZJWHPWHHA-QGZVFWFLSA-N 2 2 287.407 1.803 10 30 CDEELP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccccc3C#N)C[C@@H]2C1 ZINC000193616519 375878060 /nfs/dbraw/zinc/87/80/60/375878060.db2.gz DONTVSBDTLRFQI-GASCZTMLSA-N 2 2 271.364 1.430 10 30 CDEELP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccccc3C#N)C[C@@H]2C1 ZINC000193616519 375878062 /nfs/dbraw/zinc/87/80/62/375878062.db2.gz DONTVSBDTLRFQI-GASCZTMLSA-N 2 2 271.364 1.430 10 30 CDEELP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccccc3C#N)C[C@@H]2C1 ZINC000193616519 375878073 /nfs/dbraw/zinc/87/80/73/375878073.db2.gz DONTVSBDTLRFQI-GASCZTMLSA-N 2 2 271.364 1.430 10 30 CDEELP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccccc3C#N)C[C@@H]2C1 ZINC000193616519 375878076 /nfs/dbraw/zinc/87/80/76/375878076.db2.gz DONTVSBDTLRFQI-GASCZTMLSA-N 2 2 271.364 1.430 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292113482 378489492 /nfs/dbraw/zinc/48/94/92/378489492.db2.gz JJMCQFCGYXOJGB-NVXWUHKLSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292113482 378489498 /nfs/dbraw/zinc/48/94/98/378489498.db2.gz JJMCQFCGYXOJGB-NVXWUHKLSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292113482 378489503 /nfs/dbraw/zinc/48/95/03/378489503.db2.gz JJMCQFCGYXOJGB-NVXWUHKLSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292113482 378489512 /nfs/dbraw/zinc/48/95/12/378489512.db2.gz JJMCQFCGYXOJGB-NVXWUHKLSA-N 2 2 291.439 1.603 10 30 CDEELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266927493 378746308 /nfs/dbraw/zinc/74/63/08/378746308.db2.gz NODLOQZVSHLTKS-UHFFFAOYSA-N 2 2 281.363 1.614 10 30 CDEELP C=CC[C@@]1(C(=O)NCc2cn3cccc(C)c3[nH+]2)CCC[NH2+]1 ZINC000662727969 413393930 /nfs/dbraw/zinc/39/39/30/413393930.db2.gz ZVOJQKFAEIERQZ-KRWDZBQOSA-N 2 2 298.390 1.957 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@@H+](C)CCOC ZINC000662090137 414508657 /nfs/dbraw/zinc/50/86/57/414508657.db2.gz KGXRGLXEYKSGJQ-ZNMIVQPWSA-N 2 2 268.401 1.109 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@H+](C)CCOC ZINC000662090137 414508660 /nfs/dbraw/zinc/50/86/60/414508660.db2.gz KGXRGLXEYKSGJQ-ZNMIVQPWSA-N 2 2 268.401 1.109 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C[NH+](C)CCOC ZINC000662090137 414508662 /nfs/dbraw/zinc/50/86/62/414508662.db2.gz KGXRGLXEYKSGJQ-ZNMIVQPWSA-N 2 2 268.401 1.109 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C[NH+](C)CCOC ZINC000662090137 414508665 /nfs/dbraw/zinc/50/86/65/414508665.db2.gz KGXRGLXEYKSGJQ-ZNMIVQPWSA-N 2 2 268.401 1.109 10 30 CDEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000071145660 176041769 /nfs/dbraw/zinc/04/17/69/176041769.db2.gz WNFRQLUZEZSOOJ-CQSZACIVSA-N 2 2 286.379 1.232 10 30 CDEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000071145660 176041770 /nfs/dbraw/zinc/04/17/70/176041770.db2.gz WNFRQLUZEZSOOJ-CQSZACIVSA-N 2 2 286.379 1.232 10 30 CDEELP CC[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071313684 176120104 /nfs/dbraw/zinc/12/01/04/176120104.db2.gz GIZZYEYRBBAHTI-CQSZACIVSA-N 2 2 259.353 1.621 10 30 CDEELP CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071313684 176120106 /nfs/dbraw/zinc/12/01/06/176120106.db2.gz GIZZYEYRBBAHTI-CQSZACIVSA-N 2 2 259.353 1.621 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415099507 263272103 /nfs/dbraw/zinc/27/21/03/263272103.db2.gz YOGAAVHDUOHLGU-CQSZACIVSA-N 2 2 262.353 1.329 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001669298221 1173533160 /nfs/dbraw/zinc/53/31/60/1173533160.db2.gz YGMLESRKAZCCCA-CYBMUJFWSA-N 2 2 290.411 1.432 10 30 CDEELP C#CCC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001671675078 1173701762 /nfs/dbraw/zinc/70/17/62/1173701762.db2.gz SPLTYFJOVDYMCM-HOCLYGCPSA-N 2 2 288.395 1.438 10 30 CDEELP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001671675078 1173701766 /nfs/dbraw/zinc/70/17/66/1173701766.db2.gz SPLTYFJOVDYMCM-HOCLYGCPSA-N 2 2 288.395 1.438 10 30 CDEELP C=CCCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563421613 328063888 /nfs/dbraw/zinc/06/38/88/328063888.db2.gz NLHFMQXRLLZAQY-CYBMUJFWSA-N 2 2 268.405 1.017 10 30 CDEELP C=CCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563421613 328063889 /nfs/dbraw/zinc/06/38/89/328063889.db2.gz NLHFMQXRLLZAQY-CYBMUJFWSA-N 2 2 268.405 1.017 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000262717356 330028558 /nfs/dbraw/zinc/02/85/58/330028558.db2.gz SVSIZXILKMOYPC-AWEZNQCLSA-N 2 2 280.416 1.040 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCCCCC1 ZINC000262717356 330028560 /nfs/dbraw/zinc/02/85/60/330028560.db2.gz SVSIZXILKMOYPC-AWEZNQCLSA-N 2 2 280.416 1.040 10 30 CDEELP C=C(C)[C@@H](CO)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739814 482540066 /nfs/dbraw/zinc/54/00/66/482540066.db2.gz ALLBHEHTXUEUSC-OAHLLOKOSA-N 2 2 266.385 1.970 10 30 CDEELP C=C(C)[C@@H](CO)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000671739814 482540071 /nfs/dbraw/zinc/54/00/71/482540071.db2.gz ALLBHEHTXUEUSC-OAHLLOKOSA-N 2 2 266.385 1.970 10 30 CDEELP C=C(C)[C@@H](CO)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739814 482540076 /nfs/dbraw/zinc/54/00/76/482540076.db2.gz ALLBHEHTXUEUSC-OAHLLOKOSA-N 2 2 266.385 1.970 10 30 CDEELP C=C(C)[C@@H](CO)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739814 482540080 /nfs/dbraw/zinc/54/00/80/482540080.db2.gz ALLBHEHTXUEUSC-OAHLLOKOSA-N 2 2 266.385 1.970 10 30 CDEELP CC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000068615121 520128310 /nfs/dbraw/zinc/12/83/10/520128310.db2.gz SQCVQMIWDGCZDU-HZPDHXFCSA-N 2 2 280.460 1.930 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055069972 520225347 /nfs/dbraw/zinc/22/53/47/520225347.db2.gz SOAJIMXHLGMUCK-GJZGRUSLSA-N 2 2 266.433 1.684 10 30 CDEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485751144 1161284863 /nfs/dbraw/zinc/28/48/63/1161284863.db2.gz ITSROXPVYINEBI-ZDUSSCGKSA-N 2 2 264.373 1.334 10 30 CDEELP CCN1CC[NH+](CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608707 521683942 /nfs/dbraw/zinc/68/39/42/521683942.db2.gz ZOHRVZZVHLLOML-UHFFFAOYSA-N 2 2 287.407 1.013 10 30 CDEELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(C#N)ccc1F ZINC000062802814 525000386 /nfs/dbraw/zinc/00/03/86/525000386.db2.gz SOKRWXFSFUXAOA-SNVBAGLBSA-N 2 2 258.300 1.832 10 30 CDEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccs2)CC1 ZINC000754572670 576902661 /nfs/dbraw/zinc/90/26/61/576902661.db2.gz YDGABPDKFSMVNV-ZDUSSCGKSA-N 2 2 291.420 1.176 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941060262 613335152 /nfs/dbraw/zinc/33/51/52/613335152.db2.gz COVHBJBGDFFRJO-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941060262 613335153 /nfs/dbraw/zinc/33/51/53/613335153.db2.gz COVHBJBGDFFRJO-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP C#C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000934512153 617614071 /nfs/dbraw/zinc/61/40/71/617614071.db2.gz ZQFHYOWDPJJKOD-QZTJIDSGSA-N 2 2 286.419 1.967 10 30 CDEELP C#C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000934512153 617614078 /nfs/dbraw/zinc/61/40/78/617614078.db2.gz ZQFHYOWDPJJKOD-QZTJIDSGSA-N 2 2 286.419 1.967 10 30 CDEELP C#C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000934512153 617614083 /nfs/dbraw/zinc/61/40/83/617614083.db2.gz ZQFHYOWDPJJKOD-QZTJIDSGSA-N 2 2 286.419 1.967 10 30 CDEELP C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000934512153 617614090 /nfs/dbraw/zinc/61/40/90/617614090.db2.gz ZQFHYOWDPJJKOD-QZTJIDSGSA-N 2 2 286.419 1.967 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000901177333 623962419 /nfs/dbraw/zinc/96/24/19/623962419.db2.gz NDXUXWJZRYOIKY-UHFFFAOYSA-N 2 2 276.384 1.902 10 30 CDEELP C=CCCC[N@H+](CC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000902668993 625198059 /nfs/dbraw/zinc/19/80/59/625198059.db2.gz GUHGNZDZCBRNCB-AWEZNQCLSA-N 2 2 290.411 1.982 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691100197 1158908720 /nfs/dbraw/zinc/90/87/20/1158908720.db2.gz OZRSNQNPYNKRME-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691100197 1158908722 /nfs/dbraw/zinc/90/87/22/1158908722.db2.gz OZRSNQNPYNKRME-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483934782 1161242674 /nfs/dbraw/zinc/24/26/74/1161242674.db2.gz LOFQYOYHIINZOO-ZDUSSCGKSA-N 2 2 284.363 1.943 10 30 CDEELP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000865612283 1164670246 /nfs/dbraw/zinc/67/02/46/1164670246.db2.gz MCUNZSJKAWGCJQ-UHFFFAOYSA-N 2 2 272.396 1.806 10 30 CDEELP C[NH+](C)Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)o1 ZINC001565587101 1168156120 /nfs/dbraw/zinc/15/61/20/1168156120.db2.gz QCSWTEWIFLFGER-UHFFFAOYSA-N 2 2 290.367 1.059 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001566845946 1168442205 /nfs/dbraw/zinc/44/22/05/1168442205.db2.gz YTLWWGXASDCYLS-BETUJISGSA-N 2 2 282.347 1.208 10 30 CDEELP CC#CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001567039337 1168524487 /nfs/dbraw/zinc/52/44/87/1168524487.db2.gz PKEIHXHZBMJLRT-CQSZACIVSA-N 2 2 296.374 1.604 10 30 CDEELP C=CCC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001567665621 1168909611 /nfs/dbraw/zinc/90/96/11/1168909611.db2.gz HWNIZWHOKPFTQR-MRXNPFEDSA-N 2 2 298.390 1.906 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001569562730 1169925618 /nfs/dbraw/zinc/92/56/18/1169925618.db2.gz XJPCPYUYTXESOP-CYBMUJFWSA-N 2 2 290.411 1.844 10 30 CDEELP C#CCC[NH+]1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001660776418 1172274720 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CC#CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664716371 1172898327 /nfs/dbraw/zinc/89/83/27/1172898327.db2.gz BXVMINMKHBJEBF-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001666432862 1173135315 /nfs/dbraw/zinc/13/53/15/1173135315.db2.gz JUXZIULNWACZFO-ZIAGYGMSSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001674554366 1173963090 /nfs/dbraw/zinc/96/30/90/1173963090.db2.gz GXSYEFQAXXSLEP-UHFFFAOYSA-N 2 2 284.363 1.847 10 30 CDEELP C=CC[N@@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001677215336 1174334656 /nfs/dbraw/zinc/33/46/56/1174334656.db2.gz KHROFXOQNWKMFO-UHFFFAOYSA-N 2 2 278.400 1.317 10 30 CDEELP C=CC[N@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001677215336 1174334664 /nfs/dbraw/zinc/33/46/64/1174334664.db2.gz KHROFXOQNWKMFO-UHFFFAOYSA-N 2 2 278.400 1.317 10 30 CDEELP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001690779356 1175572996 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10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001717817599 1180875992 /nfs/dbraw/zinc/87/59/92/1180875992.db2.gz IXJYEEPGKSEXCG-UONOGXRCSA-N 2 2 290.411 1.508 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725105917 1181864591 /nfs/dbraw/zinc/86/45/91/1181864591.db2.gz SIJXVTNEVZDXBD-QWHCGFSZSA-N 2 2 273.380 1.736 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001725586261 1182062336 /nfs/dbraw/zinc/06/23/36/1182062336.db2.gz HEVCKHYIPNBFCO-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001731434784 1182381598 /nfs/dbraw/zinc/38/15/98/1182381598.db2.gz AZOLCWCCXNVHGH-KBPBESRZSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001731535485 1182438551 /nfs/dbraw/zinc/43/85/51/1182438551.db2.gz GBHQATCQXAPCBH-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001731535485 1182438555 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C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001732348322 1182919818 /nfs/dbraw/zinc/91/98/18/1182919818.db2.gz DMNZYYGEVHFNCQ-KGLIPLIRSA-N 2 2 290.411 1.364 10 30 CDEELP C=CC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001734596931 1183840263 /nfs/dbraw/zinc/84/02/63/1183840263.db2.gz NIOFWKQVQRXORF-IYXRBSQSSA-N 2 2 276.384 1.599 10 30 CDEELP C=CC[NH+]1CCC([NH2+]C2CCC(CNC(C)=O)CC2)CC1 ZINC000865453884 1164649583 /nfs/dbraw/zinc/64/95/83/1164649583.db2.gz KZCHQDZPBURCTI-UHFFFAOYSA-N 2 2 293.455 1.921 10 30 CDEELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000867999115 1164895751 /nfs/dbraw/zinc/89/57/51/1164895751.db2.gz RSKNGMNITWVRNQ-CABCVRRESA-N 2 2 286.379 1.310 10 30 CDEELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000867999115 1164895759 /nfs/dbraw/zinc/89/57/59/1164895759.db2.gz RSKNGMNITWVRNQ-CABCVRRESA-N 2 2 286.379 1.310 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001266422119 894794678 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CDEELP C#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001271362058 906271781 /nfs/dbraw/zinc/27/17/81/906271781.db2.gz KOQMRPWJOZCQPU-HNNXBMFYSA-N 2 2 288.395 1.171 10 30 CDEELP N#Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000922016863 921248293 /nfs/dbraw/zinc/24/82/93/921248293.db2.gz IYGKLXUOAWOOOC-LLVKDONJSA-N 2 2 258.350 1.921 10 30 CDEELP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001271729769 906684299 /nfs/dbraw/zinc/68/42/99/906684299.db2.gz ZQYLTXDIOWKXCW-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482604215 907865039 /nfs/dbraw/zinc/86/50/39/907865039.db2.gz CQGWTJITXJGNLS-ZIAGYGMSSA-N 2 2 290.411 1.870 10 30 CDEELP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482604215 907865048 /nfs/dbraw/zinc/86/50/48/907865048.db2.gz CQGWTJITXJGNLS-ZIAGYGMSSA-N 2 2 290.411 1.870 10 30 CDEELP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482604215 907865062 /nfs/dbraw/zinc/86/50/62/907865062.db2.gz CQGWTJITXJGNLS-ZIAGYGMSSA-N 2 2 290.411 1.870 10 30 CDEELP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482604215 907865070 /nfs/dbraw/zinc/86/50/70/907865070.db2.gz CQGWTJITXJGNLS-ZIAGYGMSSA-N 2 2 290.411 1.870 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483141065 909793315 /nfs/dbraw/zinc/79/33/15/909793315.db2.gz QBCLQMIYNPXQTG-LLVKDONJSA-N 2 2 270.336 1.294 10 30 CDEELP C#CC[C@@H](COC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000716915599 910707677 /nfs/dbraw/zinc/70/76/77/910707677.db2.gz MSAKKUQPAWGAIJ-HNNXBMFYSA-N 2 2 273.380 1.678 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001485220318 916664447 /nfs/dbraw/zinc/66/44/47/916664447.db2.gz RAJUAHLTILXKRS-CHWSQXEVSA-N 2 2 278.400 1.412 10 30 CDEELP CC#CC[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1)C(C)C ZINC001485440334 916970835 /nfs/dbraw/zinc/97/08/35/916970835.db2.gz ZZBYRWLTWVJDLJ-OAHLLOKOSA-N 2 2 290.411 1.369 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272856941 919919183 /nfs/dbraw/zinc/91/91/83/919919183.db2.gz ZKDRIROTAYADKP-CYBMUJFWSA-N 2 2 292.427 1.987 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000858421044 928856552 /nfs/dbraw/zinc/85/65/52/928856552.db2.gz LREUZVODTWEBEO-CQSZACIVSA-N 3 2 251.418 1.404 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000858421044 928856566 /nfs/dbraw/zinc/85/65/66/928856566.db2.gz LREUZVODTWEBEO-CQSZACIVSA-N 3 2 251.418 1.404 10 30 CDEELP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858421044 928856591 /nfs/dbraw/zinc/85/65/91/928856591.db2.gz LREUZVODTWEBEO-CQSZACIVSA-N 3 2 251.418 1.404 10 30 CDEELP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001274140882 931193083 /nfs/dbraw/zinc/19/30/83/931193083.db2.gz DNSVDFYZEIHPOA-ISZGNANSSA-N 2 2 288.395 1.284 10 30 CDEELP C#CC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001274405896 931497641 /nfs/dbraw/zinc/49/76/41/931497641.db2.gz AFCXKIGKHFUWJE-UHFFFAOYSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001275295102 931726514 /nfs/dbraw/zinc/72/65/14/931726514.db2.gz MATVPHGCYFHNKZ-IYXRBSQSSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001275295102 931726517 /nfs/dbraw/zinc/72/65/17/931726517.db2.gz MATVPHGCYFHNKZ-IYXRBSQSSA-N 2 2 290.411 1.649 10 30 CDEELP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001276981104 941770577 /nfs/dbraw/zinc/77/05/77/941770577.db2.gz ZPIKBUDMGHKQGT-JKSUJKDBSA-N 2 2 291.439 1.321 10 30 CDEELP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001276981104 941770579 /nfs/dbraw/zinc/77/05/79/941770579.db2.gz ZPIKBUDMGHKQGT-JKSUJKDBSA-N 2 2 291.439 1.321 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001277094196 941943613 /nfs/dbraw/zinc/94/36/13/941943613.db2.gz OCRUUBOCHFVQIA-CYBMUJFWSA-N 2 2 288.395 1.260 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284031437 943056279 /nfs/dbraw/zinc/05/62/79/943056279.db2.gz JSJHGPCAODUBPV-ZIAGYGMSSA-N 2 2 276.384 1.428 10 30 CDEELP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001263957867 944043928 /nfs/dbraw/zinc/04/39/28/944043928.db2.gz JSVPCOFGSJNOEP-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001263961702 944045415 /nfs/dbraw/zinc/04/54/15/944045415.db2.gz ZQSWUVWUWIGROU-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266020158 944635628 /nfs/dbraw/zinc/63/56/28/944635628.db2.gz CWZYCCPLDOUSRA-ZIAGYGMSSA-N 2 2 288.395 1.050 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266020158 944635631 /nfs/dbraw/zinc/63/56/31/944635631.db2.gz CWZYCCPLDOUSRA-ZIAGYGMSSA-N 2 2 288.395 1.050 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266151422 944717807 /nfs/dbraw/zinc/71/78/07/944717807.db2.gz DCXXXBITEQJHKJ-JHJVBQTASA-N 2 2 274.368 1.021 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266151422 944717810 /nfs/dbraw/zinc/71/78/10/944717810.db2.gz DCXXXBITEQJHKJ-JHJVBQTASA-N 2 2 274.368 1.021 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001279005774 948561953 /nfs/dbraw/zinc/56/19/53/948561953.db2.gz DWXXSSQKQNJLOG-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001279005774 948561962 /nfs/dbraw/zinc/56/19/62/948561962.db2.gz DWXXSSQKQNJLOG-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001492993195 971921295 /nfs/dbraw/zinc/92/12/95/971921295.db2.gz QOAQTHFXTJRWMT-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C=CCC[N@@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001492993195 971921299 /nfs/dbraw/zinc/92/12/99/971921299.db2.gz QOAQTHFXTJRWMT-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001327884610 955095203 /nfs/dbraw/zinc/09/52/03/955095203.db2.gz LQQIMFSAPVOSCC-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001329588608 956005563 /nfs/dbraw/zinc/00/55/63/956005563.db2.gz NVXWRFADIZDPKY-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001329588608 956005580 /nfs/dbraw/zinc/00/55/80/956005580.db2.gz NVXWRFADIZDPKY-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP CC#CC[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001317464736 956324846 /nfs/dbraw/zinc/32/48/46/956324846.db2.gz CMCCKRPWVQXBFM-UHFFFAOYSA-N 2 2 276.384 1.043 10 30 CDEELP CC#CC[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001317464736 956324856 /nfs/dbraw/zinc/32/48/56/956324856.db2.gz CMCCKRPWVQXBFM-UHFFFAOYSA-N 2 2 276.384 1.043 10 30 CDEELP C=CC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317256117 957383366 /nfs/dbraw/zinc/38/33/66/957383366.db2.gz NJCWDWPNIQHBAH-LBPRGKRZSA-N 2 2 261.369 1.901 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001332005884 957394176 /nfs/dbraw/zinc/39/41/76/957394176.db2.gz BJVFUXNJLDCVOQ-KBPBESRZSA-N 2 2 296.374 1.550 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332324573 957517527 /nfs/dbraw/zinc/51/75/27/957517527.db2.gz UABGRNQYVAFXDR-QWHCGFSZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001318666246 958221017 /nfs/dbraw/zinc/22/10/17/958221017.db2.gz JGXAUWSMKCPQNQ-UHFFFAOYSA-N 2 2 276.384 1.465 10 30 CDEELP C=CCC[N@H+]1CC=C(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001333445402 958340067 /nfs/dbraw/zinc/34/00/67/958340067.db2.gz VGFCDNWXPIIIBE-UHFFFAOYSA-N 2 2 288.395 1.585 10 30 CDEELP C=CCC[N@@H+]1CC=C(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001333445402 958340080 /nfs/dbraw/zinc/34/00/80/958340080.db2.gz VGFCDNWXPIIIBE-UHFFFAOYSA-N 2 2 288.395 1.585 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001319922480 958791244 /nfs/dbraw/zinc/79/12/44/958791244.db2.gz OBNDKXVQDZCXBJ-OAHLLOKOSA-N 2 2 284.363 1.540 10 30 CDEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001495507061 972524592 /nfs/dbraw/zinc/52/45/92/972524592.db2.gz DEVOCKFYWIUDAX-UHFFFAOYSA-N 2 2 298.390 1.865 10 30 CDEELP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650040 969530072 /nfs/dbraw/zinc/53/00/72/969530072.db2.gz GDMRQNOKWYAJBB-BRWVUGGUSA-N 2 2 285.391 1.618 10 30 CDEELP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650040 969530074 /nfs/dbraw/zinc/53/00/74/969530074.db2.gz GDMRQNOKWYAJBB-BRWVUGGUSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650040 969530077 /nfs/dbraw/zinc/53/00/77/969530077.db2.gz GDMRQNOKWYAJBB-BRWVUGGUSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(C#N)c3)CC[C@H]21 ZINC001460650040 969530080 /nfs/dbraw/zinc/53/00/80/969530080.db2.gz GDMRQNOKWYAJBB-BRWVUGGUSA-N 2 2 285.391 1.618 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001374779985 974115798 /nfs/dbraw/zinc/11/57/98/974115798.db2.gz CGSSWGRYBHDERO-NEPJUHHUSA-N 2 2 296.802 1.292 10 30 CDEELP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001507337022 975423215 /nfs/dbraw/zinc/42/32/15/975423215.db2.gz BVWBUHZMQWVZHS-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001380684739 976514719 /nfs/dbraw/zinc/51/47/19/976514719.db2.gz WEVPISCREXYHTO-STQMWFEESA-N 2 2 296.802 1.462 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001570217121 1170113083 /nfs/dbraw/zinc/11/30/83/1170113083.db2.gz ZJVDLRGLVXRVNN-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001570217121 1170113088 /nfs/dbraw/zinc/11/30/88/1170113088.db2.gz ZJVDLRGLVXRVNN-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001656093934 1171766167 /nfs/dbraw/zinc/76/61/67/1171766167.db2.gz UORSPZJLQSAEMP-LSDHHAIUSA-N 2 2 288.395 1.390 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001656093934 1171766172 /nfs/dbraw/zinc/76/61/72/1171766172.db2.gz UORSPZJLQSAEMP-LSDHHAIUSA-N 2 2 288.395 1.390 10 30 CDEELP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600723283 342244798 /nfs/dbraw/zinc/24/47/98/342244798.db2.gz KJLFNDXJIDWNGY-KGLIPLIRSA-N 2 2 265.401 1.505 10 30 CDEELP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(C#N)CC1 ZINC000599338669 344012615 /nfs/dbraw/zinc/01/26/15/344012615.db2.gz UZOHBKKJDUKZNI-CYBMUJFWSA-N 2 2 262.357 1.260 10 30 CDEELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(C#N)CC1 ZINC000599338669 344012617 /nfs/dbraw/zinc/01/26/17/344012617.db2.gz UZOHBKKJDUKZNI-CYBMUJFWSA-N 2 2 262.357 1.260 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641719457 365767238 /nfs/dbraw/zinc/76/72/38/365767238.db2.gz RYOSSNFZGREEEN-UHFFFAOYSA-N 2 2 260.385 1.794 10 30 CDEELP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000598994463 343936028 /nfs/dbraw/zinc/93/60/28/343936028.db2.gz NSAWQFVTZXSDDJ-LLVKDONJSA-N 2 2 264.398 1.836 10 30 CDEELP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000598994463 343936030 /nfs/dbraw/zinc/93/60/30/343936030.db2.gz NSAWQFVTZXSDDJ-LLVKDONJSA-N 2 2 264.398 1.836 10 30 CDEELP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C#N ZINC000193597197 358307260 /nfs/dbraw/zinc/30/72/60/358307260.db2.gz GOZZBMPXJJRFRS-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C#N ZINC000193597197 358307262 /nfs/dbraw/zinc/30/72/62/358307262.db2.gz GOZZBMPXJJRFRS-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C#N ZINC000193597197 358307264 /nfs/dbraw/zinc/30/72/64/358307264.db2.gz GOZZBMPXJJRFRS-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C#N ZINC000193597197 358307266 /nfs/dbraw/zinc/30/72/66/358307266.db2.gz GOZZBMPXJJRFRS-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000368216547 374159879 /nfs/dbraw/zinc/15/98/79/374159879.db2.gz AFRRIXYFJKQIIZ-CYBMUJFWSA-N 2 2 282.347 1.937 10 30 CDEELP COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000368216547 374159886 /nfs/dbraw/zinc/15/98/86/374159886.db2.gz AFRRIXYFJKQIIZ-CYBMUJFWSA-N 2 2 282.347 1.937 10 30 CDEELP Cc1c(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(C#N)n1C ZINC000058055302 375647676 /nfs/dbraw/zinc/64/76/76/375647676.db2.gz YKLWQSBMTBVCBP-LLVKDONJSA-N 2 2 257.341 1.580 10 30 CDEELP C#CCC[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001662219755 1172511215 /nfs/dbraw/zinc/51/12/15/1172511215.db2.gz OESIQXAIZLKACA-LBPRGKRZSA-N 2 2 284.363 1.374 10 30 CDEELP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001662772594 1172593188 /nfs/dbraw/zinc/59/31/88/1172593188.db2.gz IRMMIHFGLZWZGU-CABCVRRESA-N 2 2 288.395 1.314 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000655939843 412953427 /nfs/dbraw/zinc/95/34/27/412953427.db2.gz LKHCAYRCPRZDKT-STQMWFEESA-N 2 2 263.389 1.271 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000655939843 412953436 /nfs/dbraw/zinc/95/34/36/412953436.db2.gz LKHCAYRCPRZDKT-STQMWFEESA-N 2 2 263.389 1.271 10 30 CDEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)o1 ZINC000289410582 197333267 /nfs/dbraw/zinc/33/32/67/197333267.db2.gz HSABNNYEYBZJML-UHFFFAOYSA-N 2 2 290.411 1.609 10 30 CDEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)o1 ZINC000289410582 197333269 /nfs/dbraw/zinc/33/32/69/197333269.db2.gz HSABNNYEYBZJML-UHFFFAOYSA-N 2 2 290.411 1.609 10 30 CDEELP CN(CC[N@H+](C)Cc1ccc(C#N)o1)C1CC[NH+](C)CC1 ZINC000289410582 197333270 /nfs/dbraw/zinc/33/32/70/197333270.db2.gz HSABNNYEYBZJML-UHFFFAOYSA-N 2 2 290.411 1.609 10 30 CDEELP CN(CC[N@@H+](C)Cc1ccc(C#N)o1)C1CC[NH+](C)CC1 ZINC000289410582 197333272 /nfs/dbraw/zinc/33/32/72/197333272.db2.gz HSABNNYEYBZJML-UHFFFAOYSA-N 2 2 290.411 1.609 10 30 CDEELP Cc1cc(N2CC[NH+](C3CC3)CC2)c(C#N)c(C)[nH+]1 ZINC000157406210 390813770 /nfs/dbraw/zinc/81/37/70/390813770.db2.gz YOVXWCNNTLVYEI-UHFFFAOYSA-N 2 2 256.353 1.855 10 30 CDEELP N#Cc1csc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000517631489 392822348 /nfs/dbraw/zinc/82/23/48/392822348.db2.gz OHDJSHAKNGYGKF-JTQLQIEISA-N 2 2 258.350 1.990 10 30 CDEELP N#Cc1csc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000517631489 392822352 /nfs/dbraw/zinc/82/23/52/392822352.db2.gz OHDJSHAKNGYGKF-JTQLQIEISA-N 2 2 258.350 1.990 10 30 CDEELP CCN[C@](C)(C#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045179570 175324137 /nfs/dbraw/zinc/32/41/37/175324137.db2.gz JDMUDBXTYSSAKO-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP CCN[C@](C)(C#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045179570 175324139 /nfs/dbraw/zinc/32/41/39/175324139.db2.gz JDMUDBXTYSSAKO-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP C[NH+](C)C1CC[NH+](CC[C@](C)(C#N)NC2CC2)CC1 ZINC000045181013 175324683 /nfs/dbraw/zinc/32/46/83/175324683.db2.gz WORWLYKUDKWEHR-OAHLLOKOSA-N 2 2 264.417 1.437 10 30 CDEELP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001666026731 1173102489 /nfs/dbraw/zinc/10/24/89/1173102489.db2.gz PMNGAVRWRMJTCV-BLLLJJGKSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001666026731 1173102491 /nfs/dbraw/zinc/10/24/91/1173102491.db2.gz PMNGAVRWRMJTCV-BLLLJJGKSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001666620754 1173162771 /nfs/dbraw/zinc/16/27/71/1173162771.db2.gz RXXOIRJKUMVICT-BFHYXJOUSA-N 2 2 290.411 1.442 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001669832567 1173617795 /nfs/dbraw/zinc/61/77/95/1173617795.db2.gz GJYQBLLXXQVGHW-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001669832567 1173617797 /nfs/dbraw/zinc/61/77/97/1173617797.db2.gz GJYQBLLXXQVGHW-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001672240184 1173755436 /nfs/dbraw/zinc/75/54/36/1173755436.db2.gz FOCQEICKUUXIEC-ZIAGYGMSSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268069828 1159774110 /nfs/dbraw/zinc/77/41/10/1159774110.db2.gz ZEZOCWQCSDUAKN-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268069828 1159774118 /nfs/dbraw/zinc/77/41/18/1159774118.db2.gz ZEZOCWQCSDUAKN-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP CC1(C#N)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000310909607 1160543644 /nfs/dbraw/zinc/54/36/44/1160543644.db2.gz DSJSFQDJNQYYKU-ZDUSSCGKSA-N 2 2 251.374 1.069 10 30 CDEELP CC[C@H]1COCC[N@@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609352 523336562 /nfs/dbraw/zinc/33/65/62/523336562.db2.gz WJSKDUYGXBBKSD-INIZCTEOSA-N 2 2 288.391 1.616 10 30 CDEELP CC[C@H]1COCC[N@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609352 523336567 /nfs/dbraw/zinc/33/65/67/523336567.db2.gz WJSKDUYGXBBKSD-INIZCTEOSA-N 2 2 288.391 1.616 10 30 CDEELP N#Cc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC3)C2)ccn1 ZINC000068760813 526550543 /nfs/dbraw/zinc/55/05/43/526550543.db2.gz DTFCBEXAXLPLSL-CQSZACIVSA-N 2 2 270.380 1.917 10 30 CDEELP N#Cc1cc(C[N@H+]2CCC[C@H](C[NH2+]C3CC3)C2)ccn1 ZINC000068760813 526550550 /nfs/dbraw/zinc/55/05/50/526550550.db2.gz DTFCBEXAXLPLSL-CQSZACIVSA-N 2 2 270.380 1.917 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941062053 613017526 /nfs/dbraw/zinc/01/75/26/613017526.db2.gz UWLUVHZAJQJXEJ-CQSZACIVSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941062053 613017527 /nfs/dbraw/zinc/01/75/27/613017527.db2.gz UWLUVHZAJQJXEJ-CQSZACIVSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nn1 ZINC000902392987 624757424 /nfs/dbraw/zinc/75/74/24/624757424.db2.gz NFRTTZKPYUHXLC-GFCCVEGCSA-N 2 2 263.389 1.332 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001691414139 1159060492 /nfs/dbraw/zinc/06/04/92/1159060492.db2.gz ZQQKFTIAYYLCSD-AWEZNQCLSA-N 2 2 276.384 1.071 10 30 CDEELP C#CCC[N@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001691031499 1158622832 /nfs/dbraw/zinc/62/28/32/1158622832.db2.gz IHVCOXYFBVTVLT-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C#CCC[N@@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001691031499 1158622834 /nfs/dbraw/zinc/62/28/34/1158622834.db2.gz IHVCOXYFBVTVLT-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670697074 1158696551 /nfs/dbraw/zinc/69/65/51/1158696551.db2.gz UTPQBMJNOSZLPX-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670697074 1158696554 /nfs/dbraw/zinc/69/65/54/1158696554.db2.gz UTPQBMJNOSZLPX-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670697074 1158696557 /nfs/dbraw/zinc/69/65/57/1158696557.db2.gz UTPQBMJNOSZLPX-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670697074 1158696560 /nfs/dbraw/zinc/69/65/60/1158696560.db2.gz UTPQBMJNOSZLPX-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001691414139 1159060484 /nfs/dbraw/zinc/06/04/84/1159060484.db2.gz ZQQKFTIAYYLCSD-AWEZNQCLSA-N 2 2 276.384 1.071 10 30 CDEELP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001565835340 1168179147 /nfs/dbraw/zinc/17/91/47/1168179147.db2.gz LKFGCYIDLFMVON-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001565835340 1168179149 /nfs/dbraw/zinc/17/91/49/1168179149.db2.gz LKFGCYIDLFMVON-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001566498592 1168310747 /nfs/dbraw/zinc/31/07/47/1168310747.db2.gz LHFQSMLFGYVEGJ-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001566498592 1168310753 /nfs/dbraw/zinc/31/07/53/1168310753.db2.gz LHFQSMLFGYVEGJ-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001566498592 1168310759 /nfs/dbraw/zinc/31/07/59/1168310759.db2.gz LHFQSMLFGYVEGJ-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001566498592 1168310766 /nfs/dbraw/zinc/31/07/66/1168310766.db2.gz LHFQSMLFGYVEGJ-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP C=CC[N@H+](CC)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001566557585 1168334075 /nfs/dbraw/zinc/33/40/75/1168334075.db2.gz QSKYBHFSODCVGR-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C=CC[N@@H+](CC)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001566557585 1168334082 /nfs/dbraw/zinc/33/40/82/1168334082.db2.gz QSKYBHFSODCVGR-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567738001 1168943300 /nfs/dbraw/zinc/94/33/00/1168943300.db2.gz MAOPMYAYNRJMTC-CABCVRRESA-N 2 2 288.395 1.248 10 30 CDEELP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567738001 1168943309 /nfs/dbraw/zinc/94/33/09/1168943309.db2.gz MAOPMYAYNRJMTC-CABCVRRESA-N 2 2 288.395 1.248 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001568702758 1169438180 /nfs/dbraw/zinc/43/81/80/1169438180.db2.gz DBTSQSDNMXJSLQ-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571480555 1170447890 /nfs/dbraw/zinc/44/78/90/1170447890.db2.gz FIWZMYMYNPRGKF-JSGCOSHPSA-N 2 2 296.374 1.779 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001661138693 1172340949 /nfs/dbraw/zinc/34/09/49/1172340949.db2.gz XXKUQXZSOJAIEV-JHJVBQTASA-N 2 2 274.368 1.184 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001661138693 1172340958 /nfs/dbraw/zinc/34/09/58/1172340958.db2.gz XXKUQXZSOJAIEV-JHJVBQTASA-N 2 2 274.368 1.184 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001677407157 1174358607 /nfs/dbraw/zinc/35/86/07/1174358607.db2.gz PNFVPXOXYRYPIG-UHFFFAOYSA-N 2 2 296.374 1.779 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001698944540 1175991630 /nfs/dbraw/zinc/99/16/30/1175991630.db2.gz XECKHPMHRGOJGE-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001698944540 1175991633 /nfs/dbraw/zinc/99/16/33/1175991633.db2.gz XECKHPMHRGOJGE-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001699667779 1176561007 /nfs/dbraw/zinc/56/10/07/1176561007.db2.gz XPLWCBCHMMEQLP-GFCCVEGCSA-N 2 2 276.384 1.545 10 30 CDEELP C=CC[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699820212 1176638868 /nfs/dbraw/zinc/63/88/68/1176638868.db2.gz VMFXIRPUAVKOER-AWEZNQCLSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699820212 1176638871 /nfs/dbraw/zinc/63/88/71/1176638871.db2.gz VMFXIRPUAVKOER-AWEZNQCLSA-N 2 2 262.357 1.109 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001700855406 1177166531 /nfs/dbraw/zinc/16/65/31/1177166531.db2.gz XTGCTYCYBYUMFQ-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001713814147 1178766611 /nfs/dbraw/zinc/76/66/11/1178766611.db2.gz FRIBMGVYZRRDQN-HNNXBMFYSA-N 2 2 281.444 1.851 10 30 CDEELP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001713814147 1178766616 /nfs/dbraw/zinc/76/66/16/1178766616.db2.gz FRIBMGVYZRRDQN-HNNXBMFYSA-N 2 2 281.444 1.851 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001713868264 1178803329 /nfs/dbraw/zinc/80/33/29/1178803329.db2.gz KACGMSOOHHSWIX-KGLIPLIRSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCC[NH+]1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001713880586 1178813144 /nfs/dbraw/zinc/81/31/44/1178813144.db2.gz MNMXFKZZLGPXBH-UHFFFAOYSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001714094300 1178969135 /nfs/dbraw/zinc/96/91/35/1178969135.db2.gz XWZFMFMDIQHVHS-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714642113 1179290700 /nfs/dbraw/zinc/29/07/00/1179290700.db2.gz CSBTXHOMGRTDAF-STQMWFEESA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714642113 1179290707 /nfs/dbraw/zinc/29/07/07/1179290707.db2.gz CSBTXHOMGRTDAF-STQMWFEESA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001714642113 1179290712 /nfs/dbraw/zinc/29/07/12/1179290712.db2.gz CSBTXHOMGRTDAF-STQMWFEESA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001714642113 1179290716 /nfs/dbraw/zinc/29/07/16/1179290716.db2.gz CSBTXHOMGRTDAF-STQMWFEESA-N 2 2 276.384 1.212 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715063924 1179536404 /nfs/dbraw/zinc/53/64/04/1179536404.db2.gz MRLBNLFMPOZQOQ-CQSZACIVSA-N 2 2 292.427 1.987 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001715587350 1179726203 /nfs/dbraw/zinc/72/62/03/1179726203.db2.gz MBTAQPXBQRGLIC-MCIONIFRSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001715587350 1179726209 /nfs/dbraw/zinc/72/62/09/1179726209.db2.gz MBTAQPXBQRGLIC-MCIONIFRSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001716851987 1180441077 /nfs/dbraw/zinc/44/10/77/1180441077.db2.gz WTCZUQWWEVBINX-BBRMVZONSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001716851987 1180441080 /nfs/dbraw/zinc/44/10/80/1180441080.db2.gz WTCZUQWWEVBINX-BBRMVZONSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001716851987 1180441082 /nfs/dbraw/zinc/44/10/82/1180441082.db2.gz WTCZUQWWEVBINX-BBRMVZONSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001716851987 1180441084 /nfs/dbraw/zinc/44/10/84/1180441084.db2.gz WTCZUQWWEVBINX-BBRMVZONSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716881617 1180451446 /nfs/dbraw/zinc/45/14/46/1180451446.db2.gz KYQINSUEOVPGIT-INIZCTEOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001717479993 1180697708 /nfs/dbraw/zinc/69/77/08/1180697708.db2.gz FNXSTDXVDAUHSQ-CYBMUJFWSA-N 2 2 286.379 1.961 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001717479993 1180697712 /nfs/dbraw/zinc/69/77/12/1180697712.db2.gz FNXSTDXVDAUHSQ-CYBMUJFWSA-N 2 2 286.379 1.961 10 30 CDEELP C#CCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001717527981 1180721913 /nfs/dbraw/zinc/72/19/13/1180721913.db2.gz IQPWOFZCPVHIPB-UHFFFAOYSA-N 2 2 288.395 1.315 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725105918 1181865090 /nfs/dbraw/zinc/86/50/90/1181865090.db2.gz SIJXVTNEVZDXBD-STQMWFEESA-N 2 2 273.380 1.736 10 30 CDEELP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001725148264 1181882138 /nfs/dbraw/zinc/88/21/38/1181882138.db2.gz ZXDHVFAVTZHVPE-UHFFFAOYSA-N 2 2 290.411 1.060 10 30 CDEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001725513066 1182031452 /nfs/dbraw/zinc/03/14/52/1182031452.db2.gz FQAIANMQCLGFKY-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001731450883 1182394091 /nfs/dbraw/zinc/39/40/91/1182394091.db2.gz QQNYSNOOFKARPO-KKUMJFAQSA-N 2 2 290.411 1.865 10 30 CDEELP C=C(C)C[N@H+](CC)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001731811141 1182599287 /nfs/dbraw/zinc/59/92/87/1182599287.db2.gz GYFLPCSEVOCUPG-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001731811141 1182599292 /nfs/dbraw/zinc/59/92/92/1182599292.db2.gz GYFLPCSEVOCUPG-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[N@H+](CC)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001731811141 1182599298 /nfs/dbraw/zinc/59/92/98/1182599298.db2.gz GYFLPCSEVOCUPG-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001731811141 1182599304 /nfs/dbraw/zinc/59/93/04/1182599304.db2.gz GYFLPCSEVOCUPG-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC001732396391 1182944184 /nfs/dbraw/zinc/94/41/84/1182944184.db2.gz KWMWTKWROZLDQX-AWEZNQCLSA-N 2 2 288.395 1.486 10 30 CDEELP CC#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001732705480 1183093807 /nfs/dbraw/zinc/09/38/07/1183093807.db2.gz FCAVDGHOCRTXAQ-ZDUSSCGKSA-N 2 2 290.411 1.434 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001732807726 1183133179 /nfs/dbraw/zinc/13/31/79/1183133179.db2.gz RTSOZCHHLSAKJG-UHFFFAOYSA-N 2 2 278.400 1.702 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001733171013 1183314267 /nfs/dbraw/zinc/31/42/67/1183314267.db2.gz KSZJHJCYVFBEOR-OAHLLOKOSA-N 2 2 296.374 1.374 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001733185026 1183322874 /nfs/dbraw/zinc/32/28/74/1183322874.db2.gz NSYYHTXOPOWKHQ-BXUZGUMPSA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001733185026 1183322881 /nfs/dbraw/zinc/32/28/81/1183322881.db2.gz NSYYHTXOPOWKHQ-BXUZGUMPSA-N 2 2 276.384 1.259 10 30 CDEELP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001733407788 1183423872 /nfs/dbraw/zinc/42/38/72/1183423872.db2.gz MNIMHNGSSGFBEA-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001733407788 1183423878 /nfs/dbraw/zinc/42/38/78/1183423878.db2.gz MNIMHNGSSGFBEA-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266553751 895340815 /nfs/dbraw/zinc/34/08/15/895340815.db2.gz VQNIOJRNCMKKRA-OLZOCXBDSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266553751 895340827 /nfs/dbraw/zinc/34/08/27/895340827.db2.gz VQNIOJRNCMKKRA-OLZOCXBDSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266714093 895894996 /nfs/dbraw/zinc/89/49/96/895894996.db2.gz BVOQPFRAKHEHMY-RWMBFGLXSA-N 2 2 262.357 1.257 10 30 CDEELP C=CC[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267061926 896663513 /nfs/dbraw/zinc/66/35/13/896663513.db2.gz PYPCZZMIVUEUSG-UONOGXRCSA-N 2 2 276.384 1.458 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267790139 899733353 /nfs/dbraw/zinc/73/33/53/899733353.db2.gz KWPXUYXPRNTULP-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001267968971 900117407 /nfs/dbraw/zinc/11/74/07/900117407.db2.gz BZUKDMPGBMYCOT-CQSZACIVSA-N 2 2 290.411 1.807 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001267968986 900118087 /nfs/dbraw/zinc/11/80/87/900118087.db2.gz DQMPDECJZIUVLV-GFCCVEGCSA-N 2 2 276.384 1.454 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001268290329 901764581 /nfs/dbraw/zinc/76/45/81/901764581.db2.gz OTEYBRLGBLOMDO-OLZOCXBDSA-N 2 2 276.384 1.403 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001279328449 902035374 /nfs/dbraw/zinc/03/53/74/902035374.db2.gz HPDKGIWGQRYIOX-UHFFFAOYSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001482426285 905363242 /nfs/dbraw/zinc/36/32/42/905363242.db2.gz FSHUOIJYSHJHJC-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001271362060 906272025 /nfs/dbraw/zinc/27/20/25/906272025.db2.gz KOQMRPWJOZCQPU-OAHLLOKOSA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001482497602 906648471 /nfs/dbraw/zinc/64/84/71/906648471.db2.gz HXQPOFIKLPKBIM-ZFWWWQNUSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001483448372 911132612 /nfs/dbraw/zinc/13/26/12/911132612.db2.gz VELRPISCKAIVIL-ZIAGYGMSSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485320082 916809173 /nfs/dbraw/zinc/80/91/73/916809173.db2.gz NBRUFDLXFFBRSG-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485320082 916809192 /nfs/dbraw/zinc/80/91/92/916809192.db2.gz NBRUFDLXFFBRSG-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001486095950 920694456 /nfs/dbraw/zinc/69/44/56/920694456.db2.gz OBZZFQRGTXIVDY-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001489280289 926863825 /nfs/dbraw/zinc/86/38/25/926863825.db2.gz BILHODWLHUYEIB-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001489280289 926863833 /nfs/dbraw/zinc/86/38/33/926863833.db2.gz BILHODWLHUYEIB-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001273449028 932829059 /nfs/dbraw/zinc/82/90/59/932829059.db2.gz IQQVWFJJAWUDDK-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C#CC[N@@H+](C[C@H](C)OC)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001119266588 937704386 /nfs/dbraw/zinc/70/43/86/937704386.db2.gz REEMTHFVHACUPR-CABCVRRESA-N 2 2 282.428 1.456 10 30 CDEELP C#CC[N@H+](C[C@H](C)OC)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001119266588 937704388 /nfs/dbraw/zinc/70/43/88/937704388.db2.gz REEMTHFVHACUPR-CABCVRRESA-N 2 2 282.428 1.456 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001277299016 942314198 /nfs/dbraw/zinc/31/41/98/942314198.db2.gz KPTWATMXDAPLDC-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001280460086 942447516 /nfs/dbraw/zinc/44/75/16/942447516.db2.gz ZLGMYKCVMJSXJG-CQSZACIVSA-N 2 2 288.395 1.255 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001283706083 942974834 /nfs/dbraw/zinc/97/48/34/942974834.db2.gz SSYHKJLBEWQXQD-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(Cl)C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265075585 944223002 /nfs/dbraw/zinc/22/30/02/944223002.db2.gz BEPRBQQJMJPGHL-UHFFFAOYSA-N 2 2 270.764 1.074 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265075585 944223007 /nfs/dbraw/zinc/22/30/07/944223007.db2.gz BEPRBQQJMJPGHL-UHFFFAOYSA-N 2 2 270.764 1.074 10 30 CDEELP C#CC[N@H+](CC)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265135393 944244767 /nfs/dbraw/zinc/24/47/67/944244767.db2.gz FHQNSHCZFFOWAD-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C#CC[N@@H+](CC)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265135393 944244771 /nfs/dbraw/zinc/24/47/71/944244771.db2.gz FHQNSHCZFFOWAD-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C#CCC[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279255895 944788562 /nfs/dbraw/zinc/78/85/62/944788562.db2.gz HDXBEDGCLJGDRA-UHFFFAOYSA-N 2 2 296.374 1.550 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001569065695 1169626525 /nfs/dbraw/zinc/62/65/25/1169626525.db2.gz RWZUEPNVLWISJA-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001480488790 971753264 /nfs/dbraw/zinc/75/32/64/971753264.db2.gz AVUSXZMGULIRMV-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316662709 955043200 /nfs/dbraw/zinc/04/32/00/955043200.db2.gz VOZOCHHYCXMXKY-HZSPNIEDSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316662709 955043205 /nfs/dbraw/zinc/04/32/05/955043205.db2.gz VOZOCHHYCXMXKY-HZSPNIEDSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001327884607 955096067 /nfs/dbraw/zinc/09/60/67/955096067.db2.gz LQQIMFSAPVOSCC-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001327938625 955122162 /nfs/dbraw/zinc/12/21/62/955122162.db2.gz FBBUDCDLGXLKEE-QWHCGFSZSA-N 2 2 288.395 1.147 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328253222 955244534 /nfs/dbraw/zinc/24/45/34/955244534.db2.gz ADXVMGYJHQGTON-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328253222 955244544 /nfs/dbraw/zinc/24/45/44/955244544.db2.gz ADXVMGYJHQGTON-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328253222 955244552 /nfs/dbraw/zinc/24/45/52/955244552.db2.gz ADXVMGYJHQGTON-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328253222 955244554 /nfs/dbraw/zinc/24/45/54/955244554.db2.gz ADXVMGYJHQGTON-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001331358290 956990121 /nfs/dbraw/zinc/99/01/21/956990121.db2.gz BLBQJAXNJALTAG-CQSZACIVSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001332452221 957570427 /nfs/dbraw/zinc/57/04/27/957570427.db2.gz GRDXZOGONUBLOZ-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001318538900 958161076 /nfs/dbraw/zinc/16/10/76/958161076.db2.gz XBHAYLBYLBQETF-HUUCEWRRSA-N 2 2 290.411 1.588 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001495010964 972372517 /nfs/dbraw/zinc/37/25/17/972372517.db2.gz FGLXVWROCASXRC-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C#CCC[NH+]1CCC([NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC001335986524 960138225 /nfs/dbraw/zinc/13/82/25/960138225.db2.gz MDKUHZSKPWVPPL-ZDUSSCGKSA-N 2 2 292.345 1.767 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001322583518 960266818 /nfs/dbraw/zinc/26/68/18/960266818.db2.gz ZNPLCEVMESBIMY-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001495457076 972508916 /nfs/dbraw/zinc/50/89/16/972508916.db2.gz BIZZXLUNGVOUKL-HDJSIYSDSA-N 2 2 290.411 1.935 10 30 CDEELP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001495457076 972508928 /nfs/dbraw/zinc/50/89/28/972508928.db2.gz BIZZXLUNGVOUKL-HDJSIYSDSA-N 2 2 290.411 1.935 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001324175345 961217045 /nfs/dbraw/zinc/21/70/45/961217045.db2.gz MOOBUHZZYASUDW-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001324175345 961217064 /nfs/dbraw/zinc/21/70/64/961217064.db2.gz MOOBUHZZYASUDW-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001505631346 974943829 /nfs/dbraw/zinc/94/38/29/974943829.db2.gz BCGZDEYBTRGWPY-CHWSQXEVSA-N 2 2 289.379 1.139 10 30 CDEELP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505768723 974986346 /nfs/dbraw/zinc/98/63/46/974986346.db2.gz PQPQIYKGXINBHX-QWHCGFSZSA-N 2 2 264.373 1.332 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507022639 975297553 /nfs/dbraw/zinc/29/75/53/975297553.db2.gz DAAGNDWCVOQEGC-HNNXBMFYSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001676460857 1174228825 /nfs/dbraw/zinc/22/88/25/1174228825.db2.gz BAVRRVXTJLXCGS-UONOGXRCSA-N 2 2 292.427 1.754 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001571666599 1170515189 /nfs/dbraw/zinc/51/51/89/1170515189.db2.gz OATRJJNPIOYOOE-WLYUNCDWSA-N 2 2 290.411 1.817 10 30 CDEELP N#Cc1cccc2c1C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000593319910 342788157 /nfs/dbraw/zinc/78/81/57/342788157.db2.gz GBKWGYKCIMPJMP-ZDUSSCGKSA-N 2 2 298.390 1.071 10 30 CDEELP N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000593319910 342788158 /nfs/dbraw/zinc/78/81/58/342788158.db2.gz GBKWGYKCIMPJMP-ZDUSSCGKSA-N 2 2 298.390 1.071 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000594437206 342905713 /nfs/dbraw/zinc/90/57/13/342905713.db2.gz JESSUBNDFFZITK-LBPRGKRZSA-N 2 2 271.324 1.684 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000594440919 342907370 /nfs/dbraw/zinc/90/73/70/342907370.db2.gz JIDKVYCNURCOFN-CHWSQXEVSA-N 2 2 289.383 1.527 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cscc1C#N ZINC000597992011 343682158 /nfs/dbraw/zinc/68/21/58/343682158.db2.gz IJOXMHASSLMAES-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cscc1C#N ZINC000597992011 343682160 /nfs/dbraw/zinc/68/21/60/343682160.db2.gz IJOXMHASSLMAES-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP C[N@H+](C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676473 344116206 /nfs/dbraw/zinc/11/62/06/344116206.db2.gz AHRLKRJBQZNYMS-QGZVFWFLSA-N 2 2 299.418 1.566 10 30 CDEELP C[N@@H+](C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676473 344116207 /nfs/dbraw/zinc/11/62/07/344116207.db2.gz AHRLKRJBQZNYMS-QGZVFWFLSA-N 2 2 299.418 1.566 10 30 CDEELP C[NH+](C[C@@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676473 344116210 /nfs/dbraw/zinc/11/62/10/344116210.db2.gz AHRLKRJBQZNYMS-QGZVFWFLSA-N 2 2 299.418 1.566 10 30 CDEELP C[NH+](C[C@@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676473 344116212 /nfs/dbraw/zinc/11/62/12/344116212.db2.gz AHRLKRJBQZNYMS-QGZVFWFLSA-N 2 2 299.418 1.566 10 30 CDEELP C[C@H](CC#N)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601809903 344255513 /nfs/dbraw/zinc/25/55/13/344255513.db2.gz ZWNARABOYOZLSQ-GFCCVEGCSA-N 2 2 287.367 1.322 10 30 CDEELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986666 374366438 /nfs/dbraw/zinc/36/64/38/374366438.db2.gz DCXJNKNWJNTAOL-DOMZBBRYSA-N 2 2 259.353 1.525 10 30 CDEELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836394 374369991 /nfs/dbraw/zinc/36/99/91/374369991.db2.gz SXNUGSBXHOKKHK-JTQLQIEISA-N 2 2 250.371 1.446 10 30 CDEELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836394 374369997 /nfs/dbraw/zinc/36/99/97/374369997.db2.gz SXNUGSBXHOKKHK-JTQLQIEISA-N 2 2 250.371 1.446 10 30 CDEELP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001661891399 1172460505 /nfs/dbraw/zinc/46/05/05/1172460505.db2.gz YTAPRIAVIROKKH-OAHLLOKOSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001661891399 1172460512 /nfs/dbraw/zinc/46/05/12/1172460512.db2.gz YTAPRIAVIROKKH-OAHLLOKOSA-N 2 2 290.411 1.509 10 30 CDEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC000328653047 375911069 /nfs/dbraw/zinc/91/10/69/375911069.db2.gz KUVJGEUZQJOVIG-STQMWFEESA-N 2 2 292.383 1.356 10 30 CDEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC000328653047 375911075 /nfs/dbraw/zinc/91/10/75/375911075.db2.gz KUVJGEUZQJOVIG-STQMWFEESA-N 2 2 292.383 1.356 10 30 CDEELP C(#Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192041535 378173500 /nfs/dbraw/zinc/17/35/00/378173500.db2.gz DZIYCHGZMLEKQJ-SFHVURJKSA-N 2 2 284.403 1.692 10 30 CDEELP C(#Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192041535 378173505 /nfs/dbraw/zinc/17/35/05/378173505.db2.gz DZIYCHGZMLEKQJ-SFHVURJKSA-N 2 2 284.403 1.692 10 30 CDEELP COc1cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)ccc1C#N ZINC000423119396 392958570 /nfs/dbraw/zinc/95/85/70/392958570.db2.gz CFVHTOBFOMGWFA-WFASDCNBSA-N 2 2 289.379 1.423 10 30 CDEELP CC[C@@H]1C[N@H+](Cc2ccc(C#CC[NH3+])s2)CCO1 ZINC000043683693 175092205 /nfs/dbraw/zinc/09/22/05/175092205.db2.gz HKMQZSLCSYBJDL-GFCCVEGCSA-N 2 2 264.394 1.669 10 30 CDEELP CC[C@@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])s2)CCO1 ZINC000043683693 175092206 /nfs/dbraw/zinc/09/22/06/175092206.db2.gz HKMQZSLCSYBJDL-GFCCVEGCSA-N 2 2 264.394 1.669 10 30 CDEELP C[NH+](C)CC1CC[NH+](CCC[C@@](C)([NH3+])C#N)CC1 ZINC000045315753 175358353 /nfs/dbraw/zinc/35/83/53/175358353.db2.gz IOLCLWZTZWTDAX-CQSZACIVSA-N 3 2 252.406 1.281 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045320986 175359031 /nfs/dbraw/zinc/35/90/31/175359031.db2.gz RUNXVROYSMSPRD-HNNXBMFYSA-N 2 2 280.416 1.246 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001671390666 1173680254 /nfs/dbraw/zinc/68/02/54/1173680254.db2.gz RHTAMUCJFBZKSM-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251550538 483051024 /nfs/dbraw/zinc/05/10/24/483051024.db2.gz MXHKGKNLEMMSJU-MELADBBJSA-N 2 2 265.401 1.141 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251550538 483051028 /nfs/dbraw/zinc/05/10/28/483051028.db2.gz MXHKGKNLEMMSJU-MELADBBJSA-N 2 2 265.401 1.141 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001731605325 1182474444 /nfs/dbraw/zinc/47/44/44/1182474444.db2.gz CJBPTILEXOKXQP-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068802596 519073067 /nfs/dbraw/zinc/07/30/67/519073067.db2.gz IYGQADSFQUTDJR-MRXNPFEDSA-N 2 2 289.423 1.587 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068802596 519073076 /nfs/dbraw/zinc/07/30/76/519073076.db2.gz IYGQADSFQUTDJR-MRXNPFEDSA-N 2 2 289.423 1.587 10 30 CDEELP CC[NH2+][C@](C#N)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069083292 520223308 /nfs/dbraw/zinc/22/33/08/520223308.db2.gz CWQNNTKHFZEEEU-JKSUJKDBSA-N 2 2 278.444 1.684 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000924984076 618538355 /nfs/dbraw/zinc/53/83/55/618538355.db2.gz MRXMXTMPBMUWNL-OAHLLOKOSA-N 2 2 280.412 1.565 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091338 625828922 /nfs/dbraw/zinc/82/89/22/625828922.db2.gz RSUZFIJONKHIJL-HUUCEWRRSA-N 2 2 266.385 1.174 10 30 CDEELP C=CCN1CC[C@@H]([NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931315324 677885833 /nfs/dbraw/zinc/88/58/33/677885833.db2.gz WSZAOFSTSGCMEL-BMFZPTHFSA-N 2 2 277.412 1.047 10 30 CDEELP C=CCN1CC[C@@H]([NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931315324 677885834 /nfs/dbraw/zinc/88/58/34/677885834.db2.gz WSZAOFSTSGCMEL-BMFZPTHFSA-N 2 2 277.412 1.047 10 30 CDEELP 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CDEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001370280132 960042627 /nfs/dbraw/zinc/04/26/27/960042627.db2.gz YJTSNGQXUSQXJN-LBPRGKRZSA-N 2 2 282.775 1.120 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001322731476 960308484 /nfs/dbraw/zinc/30/84/84/960308484.db2.gz QMCDTZNOUFRNBP-GFCCVEGCSA-N 2 2 264.373 1.212 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001322731476 960308493 /nfs/dbraw/zinc/30/84/93/960308493.db2.gz QMCDTZNOUFRNBP-GFCCVEGCSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)C[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001323080055 960437934 /nfs/dbraw/zinc/43/79/34/960437934.db2.gz FKEHGNGYPHPQJV-ZFWWWQNUSA-N 2 2 290.411 1.895 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001371620764 972567802 /nfs/dbraw/zinc/56/78/02/972567802.db2.gz SFHRPHGZPHGQSQ-GFCCVEGCSA-N 2 2 282.775 1.074 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001496465550 972931668 /nfs/dbraw/zinc/93/16/68/972931668.db2.gz YMEMUWVODICBSP-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(Cl)C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001372895754 973186037 /nfs/dbraw/zinc/18/60/37/973186037.db2.gz FCNBVYNCHIHTNC-ZDUSSCGKSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001372895754 973186033 /nfs/dbraw/zinc/18/60/33/973186033.db2.gz FCNBVYNCHIHTNC-ZDUSSCGKSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001372895754 973186040 /nfs/dbraw/zinc/18/60/40/973186040.db2.gz FCNBVYNCHIHTNC-ZDUSSCGKSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001372895754 973186043 /nfs/dbraw/zinc/18/60/43/973186043.db2.gz FCNBVYNCHIHTNC-ZDUSSCGKSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001373512229 973474685 /nfs/dbraw/zinc/47/46/85/973474685.db2.gz CZXIIOLFXBNRNB-AWEZNQCLSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001373512229 973474691 /nfs/dbraw/zinc/47/46/91/973474691.db2.gz CZXIIOLFXBNRNB-AWEZNQCLSA-N 2 2 299.846 1.661 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001507131947 975347759 /nfs/dbraw/zinc/34/77/59/975347759.db2.gz LJAGWZQBJZXNID-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001507131947 975347765 /nfs/dbraw/zinc/34/77/65/975347765.db2.gz LJAGWZQBJZXNID-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001401643037 975758089 /nfs/dbraw/zinc/75/80/89/975758089.db2.gz CXRXWIAZPNNUSV-VXGBXAGGSA-N 2 2 284.791 1.681 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001390036184 976094048 /nfs/dbraw/zinc/09/40/48/976094048.db2.gz PMHLEKLMBPWOQP-BETUJISGSA-N 2 2 296.802 1.653 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001390419633 976285385 /nfs/dbraw/zinc/28/53/85/976285385.db2.gz UPABPOVQUDADKI-NSHDSACASA-N 2 2 298.818 1.773 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001569815301 1170004405 /nfs/dbraw/zinc/00/44/05/1170004405.db2.gz DTOVHZPICCZESN-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP CC#CC[N@H+](C)CCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001492890311 976927849 /nfs/dbraw/zinc/92/78/49/976927849.db2.gz SVCJAPRARPHHPL-UHFFFAOYSA-N 2 2 287.407 1.190 10 30 CDEELP CC#CC[N@@H+](C)CCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001492890311 976927857 /nfs/dbraw/zinc/92/78/57/976927857.db2.gz SVCJAPRARPHHPL-UHFFFAOYSA-N 2 2 287.407 1.190 10 30 CDEELP CC#CC[NH+](C)CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001492890311 976927865 /nfs/dbraw/zinc/92/78/65/976927865.db2.gz SVCJAPRARPHHPL-UHFFFAOYSA-N 2 2 287.407 1.190 10 30 CDEELP CC#CC[NH+](C)CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001492890311 976927874 /nfs/dbraw/zinc/92/78/74/976927874.db2.gz SVCJAPRARPHHPL-UHFFFAOYSA-N 2 2 287.407 1.190 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001676734324 1174263515 /nfs/dbraw/zinc/26/35/15/1174263515.db2.gz CKZZNWBQZMPYOW-JSGCOSHPSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001676734324 1174263520 /nfs/dbraw/zinc/26/35/20/1174263520.db2.gz CKZZNWBQZMPYOW-JSGCOSHPSA-N 2 2 276.384 1.497 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000594439253 342906647 /nfs/dbraw/zinc/90/66/47/342906647.db2.gz UNADAFUWVNLQMJ-ZDUSSCGKSA-N 2 2 289.383 1.527 10 30 CDEELP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928379 342974136 /nfs/dbraw/zinc/97/41/36/342974136.db2.gz YLVCNCVJVSFNLN-KRWDZBQOSA-N 2 2 298.434 1.577 10 30 CDEELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928379 342974138 /nfs/dbraw/zinc/97/41/38/342974138.db2.gz YLVCNCVJVSFNLN-KRWDZBQOSA-N 2 2 298.434 1.577 10 30 CDEELP C[NH+](C)CC[C@H]([NH3+])C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000595962119 343197270 /nfs/dbraw/zinc/19/72/70/343197270.db2.gz WUBSSGANCDUNOU-AWEZNQCLSA-N 2 2 288.395 1.189 10 30 CDEELP C[N@@H+]1CCN(c2cc(C#N)c3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000226627478 346521736 /nfs/dbraw/zinc/52/17/36/346521736.db2.gz ALYHHDYOCSXVPP-ZDUSSCGKSA-N 2 2 281.363 1.186 10 30 CDEELP C[N@H+]1CCN(c2cc(C#N)c3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000226627478 346521737 /nfs/dbraw/zinc/52/17/37/346521737.db2.gz ALYHHDYOCSXVPP-ZDUSSCGKSA-N 2 2 281.363 1.186 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805953 365889858 /nfs/dbraw/zinc/88/98/58/365889858.db2.gz ADVFUCFQMWNHJV-KFWWJZLASA-N 2 2 279.428 1.635 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805953 365889867 /nfs/dbraw/zinc/88/98/67/365889867.db2.gz ADVFUCFQMWNHJV-KFWWJZLASA-N 2 2 279.428 1.635 10 30 CDEELP O=C(NCc1cn2ccccc2[nH+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329409603 361502733 /nfs/dbraw/zinc/50/27/33/361502733.db2.gz BGCPFDRJSNEIAL-CQSZACIVSA-N 2 2 299.378 1.528 10 30 CDEELP O=C(NCc1cn2ccccc2[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329409603 361502737 /nfs/dbraw/zinc/50/27/37/361502737.db2.gz BGCPFDRJSNEIAL-CQSZACIVSA-N 2 2 299.378 1.528 10 30 CDEELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000228725105 375799556 /nfs/dbraw/zinc/79/95/56/375799556.db2.gz QOPQRJNUPNMNRX-AWEZNQCLSA-N 2 2 265.332 1.100 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000038042036 174044215 /nfs/dbraw/zinc/04/42/15/174044215.db2.gz SJCRRXVARBAWNN-INIZCTEOSA-N 3 2 277.456 1.796 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+](C(C)C)CC1 ZINC000045181112 175324871 /nfs/dbraw/zinc/32/48/71/175324871.db2.gz ICMQXTQWLBOMNQ-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306076 175355570 /nfs/dbraw/zinc/35/55/70/175355570.db2.gz BKRKIWPNXSXCNI-OAHLLOKOSA-N 2 2 280.416 1.246 10 30 CDEELP C[N@H+](CCCC[C@](C)([NH3+])C#N)C1CC[NH+](C)CC1 ZINC000045307897 175356605 /nfs/dbraw/zinc/35/66/05/175356605.db2.gz CIWWFMGHJFKXRY-AWEZNQCLSA-N 3 2 252.406 1.424 10 30 CDEELP C[N@@H+](CCCC[C@](C)([NH3+])C#N)C1CC[NH+](C)CC1 ZINC000045307897 175356606 /nfs/dbraw/zinc/35/66/06/175356606.db2.gz CIWWFMGHJFKXRY-AWEZNQCLSA-N 3 2 252.406 1.424 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000045311465 175356643 /nfs/dbraw/zinc/35/66/43/175356643.db2.gz MEQVOWNIHRAISA-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP [NH2+]=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@@H]1CCCO1 ZINC000262278015 330003736 /nfs/dbraw/zinc/00/37/36/330003736.db2.gz VCVJWTRSJIIVHN-HNNXBMFYSA-N 2 2 299.378 1.456 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CCCCCC1 ZINC000262684997 330026885 /nfs/dbraw/zinc/02/68/85/330026885.db2.gz CXVGUPZRZFFITP-HNNXBMFYSA-N 2 2 294.443 1.477 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CCCCCC1 ZINC000262684997 330026886 /nfs/dbraw/zinc/02/68/86/330026886.db2.gz CXVGUPZRZFFITP-HNNXBMFYSA-N 2 2 294.443 1.477 10 30 CDEELP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCCCC1 ZINC000263162167 330046887 /nfs/dbraw/zinc/04/68/87/330046887.db2.gz QSTYIJDERZNQJI-OKILXGFUSA-N 2 2 280.416 1.087 10 30 CDEELP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCCCC1 ZINC000263162167 330046888 /nfs/dbraw/zinc/04/68/88/330046888.db2.gz QSTYIJDERZNQJI-OKILXGFUSA-N 2 2 280.416 1.087 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1CC ZINC001691490910 1159644453 /nfs/dbraw/zinc/64/44/53/1159644453.db2.gz KQEROFQNGDVVOD-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1CC ZINC001691490910 1159644457 /nfs/dbraw/zinc/64/44/57/1159644457.db2.gz KQEROFQNGDVVOD-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP N#C[C@](N)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069082906 526515044 /nfs/dbraw/zinc/51/50/44/526515044.db2.gz KJFYATPHTJQQHD-INIZCTEOSA-N 2 2 276.428 1.425 10 30 CDEELP N#C[C@]([NH3+])(CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069082906 526515046 /nfs/dbraw/zinc/51/50/46/526515046.db2.gz KJFYATPHTJQQHD-INIZCTEOSA-N 2 2 276.428 1.425 10 30 CDEELP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939624690 613351264 /nfs/dbraw/zinc/35/12/64/613351264.db2.gz YTWMKJHLEBAKTK-FZMZJTMJSA-N 2 2 276.384 1.273 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941163937 613744260 /nfs/dbraw/zinc/74/42/60/613744260.db2.gz QIQGFVUZHATZDV-CQSZACIVSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941163937 613744261 /nfs/dbraw/zinc/74/42/61/613744261.db2.gz QIQGFVUZHATZDV-CQSZACIVSA-N 2 2 290.411 1.365 10 30 CDEELP C#CC1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000895380400 619618806 /nfs/dbraw/zinc/61/88/06/619618806.db2.gz PZKYPGKHQDVDMY-UHFFFAOYSA-N 2 2 281.359 1.832 10 30 CDEELP C=CCn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nn1 ZINC000902393189 624757388 /nfs/dbraw/zinc/75/73/88/624757388.db2.gz NFRTTZKPYUHXLC-LBPRGKRZSA-N 2 2 263.389 1.332 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001670483699 1158617733 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RWLWMTAJBOPGMK-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001323372173 960689449 /nfs/dbraw/zinc/68/94/49/960689449.db2.gz RWLWMTAJBOPGMK-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001323372173 960689459 /nfs/dbraw/zinc/68/94/59/960689459.db2.gz RWLWMTAJBOPGMK-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001323372173 960689470 /nfs/dbraw/zinc/68/94/70/960689470.db2.gz RWLWMTAJBOPGMK-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP C=CCNC(=O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560416426 960945275 /nfs/dbraw/zinc/94/52/75/960945275.db2.gz CXDOGYZFUQKVKN-UHFFFAOYSA-N 2 2 276.365 1.326 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420220525 962600609 /nfs/dbraw/zinc/60/06/09/962600609.db2.gz ZIEYLLIFXNEEAH-ZDUSSCGKSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420220525 962600623 /nfs/dbraw/zinc/60/06/23/962600623.db2.gz ZIEYLLIFXNEEAH-ZDUSSCGKSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001442818079 965232102 /nfs/dbraw/zinc/23/21/02/965232102.db2.gz MBGDGRMSWVSPIN-JSGCOSHPSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001442818079 965232113 /nfs/dbraw/zinc/23/21/13/965232113.db2.gz MBGDGRMSWVSPIN-JSGCOSHPSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001442818079 965232121 /nfs/dbraw/zinc/23/21/21/965232121.db2.gz MBGDGRMSWVSPIN-JSGCOSHPSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001442818079 965232127 /nfs/dbraw/zinc/23/21/27/965232127.db2.gz MBGDGRMSWVSPIN-JSGCOSHPSA-N 2 2 299.846 1.661 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001505948582 975056807 /nfs/dbraw/zinc/05/68/07/975056807.db2.gz QVVGQFPVZHOSIR-STQMWFEESA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001505948582 975056812 /nfs/dbraw/zinc/05/68/12/975056812.db2.gz QVVGQFPVZHOSIR-STQMWFEESA-N 2 2 276.384 1.068 10 30 CDEELP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001506898214 975250467 /nfs/dbraw/zinc/25/04/67/975250467.db2.gz IAKIMSPZDQSODU-RBSFLKMASA-N 2 2 288.395 1.342 10 30 CDEELP C#CCC[N@@H+](C)CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001507823733 975546283 /nfs/dbraw/zinc/54/62/83/975546283.db2.gz VXKBUHBJGBPSFO-UHFFFAOYSA-N 2 2 290.411 1.465 10 30 CDEELP C#CCC[N@H+](C)CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001507823733 975546292 /nfs/dbraw/zinc/54/62/92/975546292.db2.gz VXKBUHBJGBPSFO-UHFFFAOYSA-N 2 2 290.411 1.465 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392685453 977546860 /nfs/dbraw/zinc/54/68/60/977546860.db2.gz MHNDKTJJJJMZAJ-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392685453 977546869 /nfs/dbraw/zinc/54/68/69/977546869.db2.gz MHNDKTJJJJMZAJ-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392685453 977546876 /nfs/dbraw/zinc/54/68/76/977546876.db2.gz MHNDKTJJJJMZAJ-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392685453 977546882 /nfs/dbraw/zinc/54/68/82/977546882.db2.gz MHNDKTJJJJMZAJ-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392728801 977574468 /nfs/dbraw/zinc/57/44/68/977574468.db2.gz VWGPKNOPTIZJGB-QWHCGFSZSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392728801 977574482 /nfs/dbraw/zinc/57/44/82/977574482.db2.gz VWGPKNOPTIZJGB-QWHCGFSZSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392728801 977574484 /nfs/dbraw/zinc/57/44/84/977574484.db2.gz VWGPKNOPTIZJGB-QWHCGFSZSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392728801 977574490 /nfs/dbraw/zinc/57/44/90/977574490.db2.gz VWGPKNOPTIZJGB-QWHCGFSZSA-N 2 2 287.835 1.517 10 30 CDEELP C=CCC[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001570217117 1170113672 /nfs/dbraw/zinc/11/36/72/1170113672.db2.gz ZHXGAGVXEVGDSD-UHFFFAOYSA-N 2 2 278.400 1.617 10 30 CDEELP C=CCC[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001570217117 1170113674 /nfs/dbraw/zinc/11/36/74/1170113674.db2.gz ZHXGAGVXEVGDSD-UHFFFAOYSA-N 2 2 278.400 1.617 10 30 CDEELP C=CC[NH+]1CC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001570856183 1170303118 /nfs/dbraw/zinc/30/31/18/1170303118.db2.gz QFBFKWDJHPZVEB-STQMWFEESA-N 2 2 276.384 1.457 10 30 CDEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C#N)CC1 ZINC000590246379 342527381 /nfs/dbraw/zinc/52/73/81/342527381.db2.gz NDEZLXVUZJOOON-UHFFFAOYSA-N 2 2 292.427 1.165 10 30 CDEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C#N)CC1 ZINC000590246379 342527382 /nfs/dbraw/zinc/52/73/82/342527382.db2.gz NDEZLXVUZJOOON-UHFFFAOYSA-N 2 2 292.427 1.165 10 30 CDEELP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCSC1 ZINC000600726760 342245380 /nfs/dbraw/zinc/24/53/80/342245380.db2.gz HBZLEZMBGDGKOF-TZMCWYRMSA-N 2 2 283.441 1.068 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000594923555 342988607 /nfs/dbraw/zinc/98/86/07/342988607.db2.gz ZCYJPBUUXAOWHR-MRVWCRGKSA-N 2 2 266.385 1.424 10 30 CDEELP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864953 343175660 /nfs/dbraw/zinc/17/56/60/343175660.db2.gz XVVUTFALCZKBIW-OCCSQVGLSA-N 2 2 251.374 1.210 10 30 CDEELP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864953 343175662 /nfs/dbraw/zinc/17/56/62/343175662.db2.gz XVVUTFALCZKBIW-OCCSQVGLSA-N 2 2 251.374 1.210 10 30 CDEELP C=CC(C)(C)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629509669 362121163 /nfs/dbraw/zinc/12/11/63/362121163.db2.gz HAAYJWHAUXDRPX-UONOGXRCSA-N 2 2 252.402 1.945 10 30 CDEELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000596654283 343372147 /nfs/dbraw/zinc/37/21/47/343372147.db2.gz ZYIVDSHCHZVYAX-ZIAGYGMSSA-N 2 2 265.401 1.817 10 30 CDEELP C=CCC(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763197 345961360 /nfs/dbraw/zinc/96/13/60/345961360.db2.gz IVIWXCZSWGOYTE-UHFFFAOYSA-N 2 2 269.433 1.588 10 30 CDEELP C=CCC(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763197 345961364 /nfs/dbraw/zinc/96/13/64/345961364.db2.gz IVIWXCZSWGOYTE-UHFFFAOYSA-N 2 2 269.433 1.588 10 30 CDEELP C[N@@H+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000226626397 346521652 /nfs/dbraw/zinc/52/16/52/346521652.db2.gz JSLROYANVATYAI-LBPRGKRZSA-N 2 2 298.312 1.656 10 30 CDEELP C[N@H+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000226626397 346521655 /nfs/dbraw/zinc/52/16/55/346521655.db2.gz JSLROYANVATYAI-LBPRGKRZSA-N 2 2 298.312 1.656 10 30 CDEELP C=CCOc1ccccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001637 360633341 /nfs/dbraw/zinc/63/33/41/360633341.db2.gz XAONHPLCELUWBV-UHFFFAOYSA-N 2 2 290.407 1.798 10 30 CDEELP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301771959 201188818 /nfs/dbraw/zinc/18/88/18/201188818.db2.gz JOZIIOXARVGFKT-ZDUSSCGKSA-N 2 2 258.369 1.958 10 30 CDEELP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(C#N)cs1 ZINC000356295465 373836312 /nfs/dbraw/zinc/83/63/12/373836312.db2.gz CENHLLCMKXOSCP-UHFFFAOYSA-N 2 2 261.354 1.733 10 30 CDEELP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(C#N)cs1 ZINC000356295465 373836320 /nfs/dbraw/zinc/83/63/20/373836320.db2.gz CENHLLCMKXOSCP-UHFFFAOYSA-N 2 2 261.354 1.733 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123571681 375845896 /nfs/dbraw/zinc/84/58/96/375845896.db2.gz AOKZQNIXUKJQHW-FMKPAKJESA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123571681 375845900 /nfs/dbraw/zinc/84/59/00/375845900.db2.gz AOKZQNIXUKJQHW-FMKPAKJESA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123571681 375845904 /nfs/dbraw/zinc/84/59/04/375845904.db2.gz AOKZQNIXUKJQHW-FMKPAKJESA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123571681 375845906 /nfs/dbraw/zinc/84/59/06/375845906.db2.gz AOKZQNIXUKJQHW-FMKPAKJESA-N 2 2 294.443 1.455 10 30 CDEELP C[NH+](C)[C@@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416933 685001911 /nfs/dbraw/zinc/00/19/11/685001911.db2.gz DPDWGTIDKOCCEV-CQSZACIVSA-N 2 2 263.389 1.723 10 30 CDEELP C=CC[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000040490851 174291891 /nfs/dbraw/zinc/29/18/91/174291891.db2.gz QYNRBONSGUWPDF-UHFFFAOYSA-N 2 2 259.353 1.089 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415037936 263257201 /nfs/dbraw/zinc/25/72/01/263257201.db2.gz LNGMHDZDAXLARM-OAHLLOKOSA-N 2 2 276.380 1.720 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001667346958 1173257818 /nfs/dbraw/zinc/25/78/18/1173257818.db2.gz UFQJJUHFAAJVCG-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(Cl)C[NH2+]CCN(CC)C(=O)CCc1c[nH+]cn1C ZINC001668630160 1173433763 /nfs/dbraw/zinc/43/37/63/1173433763.db2.gz YQPDQDRHCBTLRK-UHFFFAOYSA-N 2 2 298.818 1.543 10 30 CDEELP C#CC[NH2+]CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001670095481 1173653166 /nfs/dbraw/zinc/65/31/66/1173653166.db2.gz MSWXQTBWQPDAFP-UHFFFAOYSA-N 2 2 284.363 1.328 10 30 CDEELP CC[NH+]=C(NCC(C)(C)C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175525332 329169380 /nfs/dbraw/zinc/16/93/80/329169380.db2.gz VTSJYORYVDAZEY-AWEZNQCLSA-N 2 2 296.459 1.405 10 30 CDEELP C[C@H]1CN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000262425559 330009714 /nfs/dbraw/zinc/00/97/14/330009714.db2.gz CJEMYACVCDUMFL-RYUDHWBXSA-N 2 2 296.440 1.386 10 30 CDEELP CC(C)[NH2+][C@](C#N)(CN(C)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000069083542 519738694 /nfs/dbraw/zinc/73/86/94/519738694.db2.gz OIFGCMBXCQQXTL-GDBMZVCRSA-N 2 2 278.444 1.540 10 30 CDEELP CC(C)[NH2+][C@](C#N)(CN(C)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000069083542 519738695 /nfs/dbraw/zinc/73/86/95/519738695.db2.gz OIFGCMBXCQQXTL-GDBMZVCRSA-N 2 2 278.444 1.540 10 30 CDEELP C[NH2+]C1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000261645573 536440494 /nfs/dbraw/zinc/44/04/94/536440494.db2.gz XNZVGUOWINSKAG-UHFFFAOYSA-N 2 2 259.353 1.751 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001688891866 1175058032 /nfs/dbraw/zinc/05/80/32/1175058032.db2.gz YWANMSADHDLYDN-CABCVRRESA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001688891866 1175058045 /nfs/dbraw/zinc/05/80/45/1175058045.db2.gz YWANMSADHDLYDN-CABCVRRESA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689909867 1175302154 /nfs/dbraw/zinc/30/21/54/1175302154.db2.gz UPPCLYGCZNSJLY-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689909286 1175301952 /nfs/dbraw/zinc/30/19/52/1175301952.db2.gz NCZYUXJRPCDGRM-OLZOCXBDSA-N 2 2 276.384 1.497 10 30 CDEELP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000261876418 684373709 /nfs/dbraw/zinc/37/37/09/684373709.db2.gz QBXRVPROZFLFKG-AWEZNQCLSA-N 2 2 299.378 1.456 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286621 684814440 /nfs/dbraw/zinc/81/44/40/684814440.db2.gz LOEVGCUKNHZERC-OAHLLOKOSA-N 2 2 268.401 1.110 10 30 CDEELP C#CCOc1ccc(C[NH2+]C[C@H](C[NH+](C)C)OCC)cc1 ZINC000922755957 686852075 /nfs/dbraw/zinc/85/20/75/686852075.db2.gz CWZIKUPWPCCREQ-QGZVFWFLSA-N 2 2 290.407 1.755 10 30 CDEELP C#CCOc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000848558423 686907440 /nfs/dbraw/zinc/90/74/40/686907440.db2.gz QKACYSFXMHJXGG-UHFFFAOYSA-N 2 2 258.365 1.881 10 30 CDEELP C#C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCOCC1 ZINC000827555653 687376375 /nfs/dbraw/zinc/37/63/75/687376375.db2.gz YPEQGMATWGJKPA-SJORKVTESA-N 2 2 292.423 1.258 10 30 CDEELP CC(=NNCCCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000848416243 687535132 /nfs/dbraw/zinc/53/51/32/687535132.db2.gz DJDIEEVWBJILLT-UHFFFAOYSA-N 2 2 263.389 1.581 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266895833 1158967947 /nfs/dbraw/zinc/96/79/47/1158967947.db2.gz UDFCPDHDWMQBQR-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266895833 1158967952 /nfs/dbraw/zinc/96/79/52/1158967952.db2.gz UDFCPDHDWMQBQR-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)CC[NH2+]CCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001267391021 1159367775 /nfs/dbraw/zinc/36/77/75/1159367775.db2.gz ZAWAFFKZGSYRDM-UHFFFAOYSA-N 2 2 291.395 1.647 10 30 CDEELP C=CC[NH2+][C@H](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001267490124 1159412047 /nfs/dbraw/zinc/41/20/47/1159412047.db2.gz GREGSPMUPIOKGP-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[N@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001677570836 1174374621 /nfs/dbraw/zinc/37/46/21/1174374621.db2.gz 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CDEELP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001714569713 1179225169 /nfs/dbraw/zinc/22/51/69/1179225169.db2.gz UBGDZFNPBKKFDR-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001714569713 1179225177 /nfs/dbraw/zinc/22/51/77/1179225177.db2.gz UBGDZFNPBKKFDR-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714775103 1179391642 /nfs/dbraw/zinc/39/16/42/1179391642.db2.gz FGZFSWCINNVBOR-ZIAGYGMSSA-N 2 2 278.400 1.847 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001714819748 1179409136 /nfs/dbraw/zinc/40/91/36/1179409136.db2.gz CGHYLRLPSXMZNX-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C#CC[NH2+]C[C@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001715115987 1179556546 /nfs/dbraw/zinc/55/65/46/1179556546.db2.gz VKZQRWJAZBGLLW-KRWDZBQOSA-N 2 2 296.374 1.684 10 30 CDEELP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001715476625 1179676893 /nfs/dbraw/zinc/67/68/93/1179676893.db2.gz IYXMCVURDWEQJY-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001715534545 1179704894 /nfs/dbraw/zinc/70/48/94/1179704894.db2.gz LFZDRCAXPRFTSN-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)CC[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001715534545 1179704896 /nfs/dbraw/zinc/70/48/96/1179704896.db2.gz LFZDRCAXPRFTSN-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715937129 1179929509 /nfs/dbraw/zinc/92/95/09/1179929509.db2.gz YFMOVKYVHQQWDG-GFCCVEGCSA-N 2 2 276.384 1.044 10 30 CDEELP C#CCC[NH2+]CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001716229183 1180111471 /nfs/dbraw/zinc/11/14/71/1180111471.db2.gz ISXDBWAMWTVPBQ-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716664351 1180348564 /nfs/dbraw/zinc/34/85/64/1180348564.db2.gz QUCYJOAXTUKKJW-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716664351 1180348556 /nfs/dbraw/zinc/34/85/56/1180348556.db2.gz QUCYJOAXTUKKJW-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001716877918 1180450736 /nfs/dbraw/zinc/45/07/36/1180450736.db2.gz AZFGQOMQBSLDBS-MRXNPFEDSA-N 2 2 288.395 1.112 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001724848579 1181773306 /nfs/dbraw/zinc/77/33/06/1181773306.db2.gz NROBWVKERMFQHF-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001724848579 1181773311 /nfs/dbraw/zinc/77/33/11/1181773311.db2.gz NROBWVKERMFQHF-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001725557474 1182049137 /nfs/dbraw/zinc/04/91/37/1182049137.db2.gz GVSLNDDGTURZGG-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001725650798 1182086885 /nfs/dbraw/zinc/08/68/85/1182086885.db2.gz DTXGJNPDSVRCLY-CABCVRRESA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[NH2+]C1(CNC(C)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001725770112 1182126109 /nfs/dbraw/zinc/12/61/09/1182126109.db2.gz AXZWLOZKJOHGIP-UHFFFAOYSA-N 2 2 299.418 1.380 10 30 CDEELP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001731664285 1182508760 /nfs/dbraw/zinc/50/87/60/1182508760.db2.gz RPDXUCVEMBYCSP-JHJVBQTASA-N 2 2 274.368 1.137 10 30 CDEELP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001731664285 1182508765 /nfs/dbraw/zinc/50/87/65/1182508765.db2.gz RPDXUCVEMBYCSP-JHJVBQTASA-N 2 2 274.368 1.137 10 30 CDEELP C=CC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001732004724 1182721519 /nfs/dbraw/zinc/72/15/19/1182721519.db2.gz WDPPOSKCGJEQLY-CYBMUJFWSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001732210228 1182859134 /nfs/dbraw/zinc/85/91/34/1182859134.db2.gz YZJDYHHEPYBDOS-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C#CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001732236093 1182875252 /nfs/dbraw/zinc/87/52/52/1182875252.db2.gz WAIPEMFYSIEFRT-CYBMUJFWSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC001732236093 1182875260 /nfs/dbraw/zinc/87/52/60/1182875260.db2.gz WAIPEMFYSIEFRT-CYBMUJFWSA-N 2 2 288.395 1.240 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001732494358 1182988079 /nfs/dbraw/zinc/98/80/79/1182988079.db2.gz SVRLWSKHUCEPRQ-OLZOCXBDSA-N 2 2 276.384 1.355 10 30 CDEELP C#CCC[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732581813 1183027793 /nfs/dbraw/zinc/02/77/93/1183027793.db2.gz QGUZQXQPAVHCDG-UHFFFAOYSA-N 2 2 298.390 1.670 10 30 CDEELP C#CCC[N@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001732581813 1183027797 /nfs/dbraw/zinc/02/77/97/1183027797.db2.gz QGUZQXQPAVHCDG-UHFFFAOYSA-N 2 2 298.390 1.670 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691709304 1164429254 /nfs/dbraw/zinc/42/92/54/1164429254.db2.gz XGBIVOGBAJLWAX-BJHJDKERSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691709304 1164429256 /nfs/dbraw/zinc/42/92/56/1164429256.db2.gz XGBIVOGBAJLWAX-BJHJDKERSA-N 2 2 262.357 1.013 10 30 CDEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001691730599 1166551510 /nfs/dbraw/zinc/55/15/10/1166551510.db2.gz ILAJVCQPUBJYAM-GUTXKFCHSA-N 2 2 288.395 1.191 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001691730599 1166551516 /nfs/dbraw/zinc/55/15/16/1166551516.db2.gz ILAJVCQPUBJYAM-GUTXKFCHSA-N 2 2 288.395 1.191 10 30 CDEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001691730599 1166551523 /nfs/dbraw/zinc/55/15/23/1166551523.db2.gz ILAJVCQPUBJYAM-GUTXKFCHSA-N 2 2 288.395 1.191 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001691730599 1166551531 /nfs/dbraw/zinc/55/15/31/1166551531.db2.gz ILAJVCQPUBJYAM-GUTXKFCHSA-N 2 2 288.395 1.191 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691742612 1166886045 /nfs/dbraw/zinc/88/60/45/1166886045.db2.gz DENKJTJWINIMTD-KFWWJZLASA-N 2 2 290.411 1.895 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283632790 898266296 /nfs/dbraw/zinc/26/62/96/898266296.db2.gz RWTMOHFXQGILLW-LLVKDONJSA-N 2 2 272.352 1.799 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001481011472 898489030 /nfs/dbraw/zinc/48/90/30/898489030.db2.gz BJHMDWUFIFVCFQ-UHFFFAOYSA-N 2 2 285.819 1.273 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001481011472 898489036 /nfs/dbraw/zinc/48/90/36/898489036.db2.gz BJHMDWUFIFVCFQ-UHFFFAOYSA-N 2 2 285.819 1.273 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267754068 899596830 /nfs/dbraw/zinc/59/68/30/899596830.db2.gz UNWNJZBLKQAFTH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267754068 899596837 /nfs/dbraw/zinc/59/68/37/899596837.db2.gz UNWNJZBLKQAFTH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267754068 899596846 /nfs/dbraw/zinc/59/68/46/899596846.db2.gz UNWNJZBLKQAFTH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267754068 899596857 /nfs/dbraw/zinc/59/68/57/899596857.db2.gz UNWNJZBLKQAFTH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001481947186 902393223 /nfs/dbraw/zinc/39/32/23/902393223.db2.gz IDBGSWRQTYBFMO-INIZCTEOSA-N 2 2 290.411 1.711 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001284244997 902988212 /nfs/dbraw/zinc/98/82/12/902988212.db2.gz RYLJGUPBPQFUGS-UONOGXRCSA-N 2 2 290.411 1.413 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001482536148 906920147 /nfs/dbraw/zinc/92/01/47/906920147.db2.gz MXYDYCZCZIRIHH-JHJVBQTASA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001482536148 906920155 /nfs/dbraw/zinc/92/01/55/906920155.db2.gz MXYDYCZCZIRIHH-JHJVBQTASA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482632823 908086421 /nfs/dbraw/zinc/08/64/21/908086421.db2.gz URZRRHZYJFCNCF-AWEZNQCLSA-N 2 2 278.400 1.801 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482632823 908086435 /nfs/dbraw/zinc/08/64/35/908086435.db2.gz URZRRHZYJFCNCF-AWEZNQCLSA-N 2 2 278.400 1.801 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001482682194 908263970 /nfs/dbraw/zinc/26/39/70/908263970.db2.gz AGJHBESMWQOTCS-CABCVRRESA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[NH2+]C1CC[NH+](CCNC(=O)C=C(C)C)CC1 ZINC001484416587 915746165 /nfs/dbraw/zinc/74/61/65/915746165.db2.gz DUMACEDNOKZYLI-UHFFFAOYSA-N 2 2 279.428 1.699 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001488703327 926674481 /nfs/dbraw/zinc/67/44/81/926674481.db2.gz PNYFHWJTLMDEIK-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001488703327 926674486 /nfs/dbraw/zinc/67/44/86/926674486.db2.gz PNYFHWJTLMDEIK-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001274105552 931170638 /nfs/dbraw/zinc/17/06/38/931170638.db2.gz KOXPHAGVLHBNKL-DIABFLQPSA-N 2 2 274.368 1.351 10 30 CDEELP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001274105552 931170644 /nfs/dbraw/zinc/17/06/44/931170644.db2.gz KOXPHAGVLHBNKL-DIABFLQPSA-N 2 2 274.368 1.351 10 30 CDEELP C=CCCC[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281519299 942589007 /nfs/dbraw/zinc/58/90/07/942589007.db2.gz PFFUFRCNHIOZGT-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C#CCC[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265931895 944579372 /nfs/dbraw/zinc/57/93/72/944579372.db2.gz ZSGGEDLNMBYPBP-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C#CCC[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265931895 944579376 /nfs/dbraw/zinc/57/93/76/944579376.db2.gz ZSGGEDLNMBYPBP-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266078407 944667164 /nfs/dbraw/zinc/66/71/64/944667164.db2.gz HOMKDISAZBLNSH-LSDHHAIUSA-N 2 2 290.411 1.866 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480646006 971823414 /nfs/dbraw/zinc/82/34/14/971823414.db2.gz NKZMQMAJTGCFHO-AWEZNQCLSA-N 2 2 298.390 1.880 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480649665 971824236 /nfs/dbraw/zinc/82/42/36/971824236.db2.gz XRFBMZRIQWBIJK-AWEZNQCLSA-N 2 2 290.411 1.551 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001569142572 1169686432 /nfs/dbraw/zinc/68/64/32/1169686432.db2.gz QELMPANTGYECRH-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001569142572 1169686436 /nfs/dbraw/zinc/68/64/36/1169686436.db2.gz QELMPANTGYECRH-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001569142572 1169686443 /nfs/dbraw/zinc/68/64/43/1169686443.db2.gz QELMPANTGYECRH-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001569142572 1169686450 /nfs/dbraw/zinc/68/64/50/1169686450.db2.gz QELMPANTGYECRH-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001492313873 955795005 /nfs/dbraw/zinc/79/50/05/955795005.db2.gz VSVIYTYLTJSGGT-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001492313873 955795014 /nfs/dbraw/zinc/79/50/14/955795014.db2.gz VSVIYTYLTJSGGT-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317145341 956979589 /nfs/dbraw/zinc/97/95/89/956979589.db2.gz ZHSMEIDRWTULQT-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317145341 956979598 /nfs/dbraw/zinc/97/95/98/956979598.db2.gz ZHSMEIDRWTULQT-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001316950164 957149819 /nfs/dbraw/zinc/14/98/19/957149819.db2.gz KAQUQYCGYIEDFT-HUUCEWRRSA-N 2 2 288.395 1.438 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001316950164 957149828 /nfs/dbraw/zinc/14/98/28/957149828.db2.gz KAQUQYCGYIEDFT-HUUCEWRRSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316979269 957174278 /nfs/dbraw/zinc/17/42/78/957174278.db2.gz BXODIMPJMRKVEO-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316979269 957174285 /nfs/dbraw/zinc/17/42/85/957174285.db2.gz BXODIMPJMRKVEO-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317076689 957251285 /nfs/dbraw/zinc/25/12/85/957251285.db2.gz VWDPLYQUBAVRPT-SHTZXODSSA-N 2 2 296.374 1.516 10 30 CDEELP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317363071 957436832 /nfs/dbraw/zinc/43/68/32/957436832.db2.gz FLNQHDBVRNYISH-LSDHHAIUSA-N 2 2 288.395 1.314 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001425015369 957446193 /nfs/dbraw/zinc/44/61/93/957446193.db2.gz WDBCYFDTVHHQRW-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001425015369 957446197 /nfs/dbraw/zinc/44/61/97/957446197.db2.gz WDBCYFDTVHHQRW-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425015369 957446201 /nfs/dbraw/zinc/44/62/01/957446201.db2.gz WDBCYFDTVHHQRW-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425015369 957446209 /nfs/dbraw/zinc/44/62/09/957446209.db2.gz WDBCYFDTVHHQRW-WCQYABFASA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445773901 966332279 /nfs/dbraw/zinc/33/22/79/966332279.db2.gz VGMCDKPWKHQGOH-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445773901 966332289 /nfs/dbraw/zinc/33/22/89/966332289.db2.gz VGMCDKPWKHQGOH-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445773901 966332302 /nfs/dbraw/zinc/33/23/02/966332302.db2.gz VGMCDKPWKHQGOH-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445773901 966332305 /nfs/dbraw/zinc/33/23/05/966332305.db2.gz VGMCDKPWKHQGOH-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445773905 966333126 /nfs/dbraw/zinc/33/31/26/966333126.db2.gz VGMCDKPWKHQGOH-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445773905 966333131 /nfs/dbraw/zinc/33/31/31/966333131.db2.gz VGMCDKPWKHQGOH-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445773905 966333142 /nfs/dbraw/zinc/33/31/42/966333142.db2.gz VGMCDKPWKHQGOH-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445773905 966333152 /nfs/dbraw/zinc/33/31/52/966333152.db2.gz VGMCDKPWKHQGOH-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001349822071 966486325 /nfs/dbraw/zinc/48/63/25/966486325.db2.gz FDKSTMTVBQBRCJ-AWEZNQCLSA-N 2 2 289.383 1.458 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497601712 973429152 /nfs/dbraw/zinc/42/91/52/973429152.db2.gz LXGAJJXQZQYGFU-CDJBXZAQSA-N 2 2 274.368 1.351 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497601712 973429161 /nfs/dbraw/zinc/42/91/61/973429161.db2.gz LXGAJJXQZQYGFU-CDJBXZAQSA-N 2 2 274.368 1.351 10 30 CDEELP C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507090434 975332239 /nfs/dbraw/zinc/33/22/39/975332239.db2.gz TXKXTTMMRUOATQ-LBPRGKRZSA-N 2 2 284.363 1.636 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392685455 977547209 /nfs/dbraw/zinc/54/72/09/977547209.db2.gz MHNDKTJJJJMZAJ-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392685455 977547216 /nfs/dbraw/zinc/54/72/16/977547216.db2.gz MHNDKTJJJJMZAJ-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392685455 977547222 /nfs/dbraw/zinc/54/72/22/977547222.db2.gz MHNDKTJJJJMZAJ-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392685455 977547229 /nfs/dbraw/zinc/54/72/29/977547229.db2.gz MHNDKTJJJJMZAJ-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001393056819 977689288 /nfs/dbraw/zinc/68/92/88/977689288.db2.gz RZDKNKUOMYCAGW-LBPRGKRZSA-N 2 2 282.775 1.216 10 30 CDEELP C#CCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001676878973 1174285475 /nfs/dbraw/zinc/28/54/75/1174285475.db2.gz KDKPCCAUJBGZCL-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001676878973 1174285480 /nfs/dbraw/zinc/28/54/80/1174285480.db2.gz KDKPCCAUJBGZCL-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001571320030 1170364086 /nfs/dbraw/zinc/36/40/86/1170364086.db2.gz QSWKAOWVKNBMTP-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)CC1 ZINC000600731465 342245873 /nfs/dbraw/zinc/24/58/73/342245873.db2.gz RZZJXBCKFZZXKO-CYBMUJFWSA-N 2 2 270.336 1.479 10 30 CDEELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600748450 342247209 /nfs/dbraw/zinc/24/72/09/342247209.db2.gz MZVVZVNCUSPDPH-OLZOCXBDSA-N 2 2 265.401 1.504 10 30 CDEELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600748450 342247210 /nfs/dbraw/zinc/24/72/10/342247210.db2.gz MZVVZVNCUSPDPH-OLZOCXBDSA-N 2 2 265.401 1.504 10 30 CDEELP N#CC[C@]1(O)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597157362 343462758 /nfs/dbraw/zinc/46/27/58/343462758.db2.gz PBLUBBZOYJKAHY-HNNXBMFYSA-N 2 2 283.335 1.118 10 30 CDEELP N#CC[C@]1(O)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597157362 343462759 /nfs/dbraw/zinc/46/27/59/343462759.db2.gz PBLUBBZOYJKAHY-HNNXBMFYSA-N 2 2 283.335 1.118 10 30 CDEELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000600772966 349880315 /nfs/dbraw/zinc/88/03/15/349880315.db2.gz LKJYPTKZOORDOB-IYBDPMFKSA-N 2 2 255.365 1.990 10 30 CDEELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000600772966 349880317 /nfs/dbraw/zinc/88/03/17/349880317.db2.gz LKJYPTKZOORDOB-IYBDPMFKSA-N 2 2 255.365 1.990 10 30 CDEELP CC(C)(C#N)c1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000599018879 343945037 /nfs/dbraw/zinc/94/50/37/343945037.db2.gz OMOUEPGUYGPLGG-INIZCTEOSA-N 2 2 287.407 1.644 10 30 CDEELP CC(C)(C#N)c1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000599018879 343945038 /nfs/dbraw/zinc/94/50/38/343945038.db2.gz OMOUEPGUYGPLGG-INIZCTEOSA-N 2 2 287.407 1.644 10 30 CDEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000610994395 346565350 /nfs/dbraw/zinc/56/53/50/346565350.db2.gz GCTAVEKPGJBUNT-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1C ZINC000610994395 346565355 /nfs/dbraw/zinc/56/53/55/346565355.db2.gz GCTAVEKPGJBUNT-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994395 346565356 /nfs/dbraw/zinc/56/53/56/346565356.db2.gz GCTAVEKPGJBUNT-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994395 346565361 /nfs/dbraw/zinc/56/53/61/346565361.db2.gz GCTAVEKPGJBUNT-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000623554039 347629252 /nfs/dbraw/zinc/62/92/52/347629252.db2.gz OZNLJWDOMHBTLI-GFCCVEGCSA-N 2 2 263.389 1.427 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000623554039 347629255 /nfs/dbraw/zinc/62/92/55/347629255.db2.gz OZNLJWDOMHBTLI-GFCCVEGCSA-N 2 2 263.389 1.427 10 30 CDEELP C[NH+]1CCC(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000328626900 351306665 /nfs/dbraw/zinc/30/66/65/351306665.db2.gz MECRXFUOJPSRLT-GFCCVEGCSA-N 2 2 291.399 1.043 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000567401934 358672683 /nfs/dbraw/zinc/67/26/83/358672683.db2.gz BPMHCPGAJOBAGZ-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000567401934 358672685 /nfs/dbraw/zinc/67/26/85/358672685.db2.gz BPMHCPGAJOBAGZ-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401934 358672686 /nfs/dbraw/zinc/67/26/86/358672686.db2.gz BPMHCPGAJOBAGZ-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401934 358672688 /nfs/dbraw/zinc/67/26/88/358672688.db2.gz BPMHCPGAJOBAGZ-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001661661194 1172424468 /nfs/dbraw/zinc/42/44/68/1172424468.db2.gz GXEIPDIWAZEPDF-MCIONIFRSA-N 2 2 290.411 1.791 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001661661194 1172424474 /nfs/dbraw/zinc/42/44/74/1172424474.db2.gz GXEIPDIWAZEPDF-MCIONIFRSA-N 2 2 290.411 1.791 10 30 CDEELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000422995841 374365915 /nfs/dbraw/zinc/36/59/15/374365915.db2.gz ZMRAIBZFDACHDZ-HIFRSBDPSA-N 2 2 289.379 1.294 10 30 CDEELP C[C@@H](C[NH2+]Cc1nc(C#N)cs1)Cn1cc[nH+]c1 ZINC000352836649 374367754 /nfs/dbraw/zinc/36/77/54/374367754.db2.gz VXRAQUGGZHFGNA-JTQLQIEISA-N 2 2 261.354 1.637 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123569441 375845752 /nfs/dbraw/zinc/84/57/52/375845752.db2.gz CGHAONRUJDYJSN-CABCVRRESA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123569441 375845757 /nfs/dbraw/zinc/84/57/57/375845757.db2.gz CGHAONRUJDYJSN-CABCVRRESA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123569441 375845759 /nfs/dbraw/zinc/84/57/59/375845759.db2.gz CGHAONRUJDYJSN-CABCVRRESA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123569441 375845764 /nfs/dbraw/zinc/84/57/64/375845764.db2.gz CGHAONRUJDYJSN-CABCVRRESA-N 2 2 279.428 1.602 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366478598 391324724 /nfs/dbraw/zinc/32/47/24/391324724.db2.gz FOCGFGFSSJUXRQ-GOEBONIOSA-N 2 2 292.427 1.022 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366478598 391324726 /nfs/dbraw/zinc/32/47/26/391324726.db2.gz FOCGFGFSSJUXRQ-GOEBONIOSA-N 2 2 292.427 1.022 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366478598 391324729 /nfs/dbraw/zinc/32/47/29/391324729.db2.gz FOCGFGFSSJUXRQ-GOEBONIOSA-N 2 2 292.427 1.022 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366478598 391324732 /nfs/dbraw/zinc/32/47/32/391324732.db2.gz FOCGFGFSSJUXRQ-GOEBONIOSA-N 2 2 292.427 1.022 10 30 CDEELP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2ccc(C#N)cn12 ZINC000349351537 154096298 /nfs/dbraw/zinc/09/62/98/154096298.db2.gz QJVNATCZPCOQLQ-UHFFFAOYSA-N 2 2 294.362 1.925 10 30 CDEELP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2ccc(C#N)cn12 ZINC000349351537 154096299 /nfs/dbraw/zinc/09/62/99/154096299.db2.gz QJVNATCZPCOQLQ-UHFFFAOYSA-N 2 2 294.362 1.925 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315810 175358392 /nfs/dbraw/zinc/35/83/92/175358392.db2.gz LMNPBYBTTPZVAS-INIZCTEOSA-N 3 2 280.460 1.932 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000049608437 175491521 /nfs/dbraw/zinc/49/15/21/175491521.db2.gz NBOVASGLNBLLHO-KBPBESRZSA-N 2 2 288.391 1.615 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190781 176068190 /nfs/dbraw/zinc/06/81/90/176068190.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190781 176068192 /nfs/dbraw/zinc/06/81/92/176068192.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190781 176068193 /nfs/dbraw/zinc/06/81/93/176068193.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190781 176068195 /nfs/dbraw/zinc/06/81/95/176068195.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001665856277 1173075315 /nfs/dbraw/zinc/07/53/15/1173075315.db2.gz KZFHPPXYBSGTBE-NEPJUHHUSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001665856277 1173075322 /nfs/dbraw/zinc/07/53/22/1173075322.db2.gz KZFHPPXYBSGTBE-NEPJUHHUSA-N 2 2 264.373 1.259 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000564845136 327008457 /nfs/dbraw/zinc/00/84/57/327008457.db2.gz PXWGHPPYMWFTOA-NSHDSACASA-N 2 2 266.307 1.540 10 30 CDEELP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccccn1 ZINC000170912400 329072482 /nfs/dbraw/zinc/07/24/82/329072482.db2.gz JZXRDBLJVNZMIG-UHFFFAOYSA-N 2 2 293.334 1.589 10 30 CDEELP COc1ccccc1[C@@H](CNC1=[NH+]CCN1C)[NH+](C)C ZINC000262672087 330025843 /nfs/dbraw/zinc/02/58/43/330025843.db2.gz RNBZNHAKDSLECA-CYBMUJFWSA-N 2 2 276.384 1.189 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001482113002 1159983055 /nfs/dbraw/zinc/98/30/55/1159983055.db2.gz FQGGTRQKDZZWEQ-CYBMUJFWSA-N 2 2 291.395 1.551 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001691556061 1160699193 /nfs/dbraw/zinc/69/91/93/1160699193.db2.gz OVWXKYGJLZIHTB-UHFFFAOYSA-N 2 2 264.373 1.311 10 30 CDEELP CC(C)C[NH+]1CCN(CC[C@H](C#N)[NH2+]C(C)C)CC1 ZINC000062439026 519726159 /nfs/dbraw/zinc/72/61/59/519726159.db2.gz HTNLJYUIVMSVAC-OAHLLOKOSA-N 2 2 266.433 1.540 10 30 CDEELP N#C[C@@]([NH3+])(CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000069078931 526503024 /nfs/dbraw/zinc/50/30/24/526503024.db2.gz JHFXAQAZQDSYKK-MRXNPFEDSA-N 2 2 276.428 1.568 10 30 CDEELP N#Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000068757584 526548805 /nfs/dbraw/zinc/54/88/05/526548805.db2.gz VPUSLNITJJOHRJ-ZBFHGGJFSA-N 2 2 270.380 1.917 10 30 CDEELP N#Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000068757584 526548811 /nfs/dbraw/zinc/54/88/11/526548811.db2.gz VPUSLNITJJOHRJ-ZBFHGGJFSA-N 2 2 270.380 1.917 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733966813 575150017 /nfs/dbraw/zinc/15/00/17/575150017.db2.gz GMAMJYVFNZKBIN-ZDUSSCGKSA-N 2 2 268.320 1.370 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733966813 575150019 /nfs/dbraw/zinc/15/00/19/575150019.db2.gz GMAMJYVFNZKBIN-ZDUSSCGKSA-N 2 2 268.320 1.370 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000757662669 577049451 /nfs/dbraw/zinc/04/94/51/577049451.db2.gz QMFYUXAIIJSLHM-VXGBXAGGSA-N 2 2 269.414 1.032 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939856445 613386822 /nfs/dbraw/zinc/38/68/22/613386822.db2.gz MFUGWXUVZPPEPF-JQWIXIFHSA-N 2 2 282.775 1.072 10 30 CDEELP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939533609 613874180 /nfs/dbraw/zinc/87/41/80/613874180.db2.gz CCUFXWXBQBSWKL-NEPJUHHUSA-N 2 2 276.384 1.310 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000894863777 619107622 /nfs/dbraw/zinc/10/76/22/619107622.db2.gz RUSLHMVKVUXXGB-UHFFFAOYSA-N 2 2 276.771 1.651 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000894863777 619107623 /nfs/dbraw/zinc/10/76/23/619107623.db2.gz RUSLHMVKVUXXGB-UHFFFAOYSA-N 2 2 276.771 1.651 10 30 CDEELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C#N)ccn1 ZINC000902993089 625740388 /nfs/dbraw/zinc/74/03/88/625740388.db2.gz POOJRQHDRMCYBM-CMPLNLGQSA-N 2 2 267.336 1.884 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001670527029 1158630494 /nfs/dbraw/zinc/63/04/94/1158630494.db2.gz BWZFAEGKZRVYFO-WFASDCNBSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001670527029 1158630497 /nfs/dbraw/zinc/63/04/97/1158630497.db2.gz BWZFAEGKZRVYFO-WFASDCNBSA-N 2 2 288.395 1.096 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670712535 1158714081 /nfs/dbraw/zinc/71/40/81/1158714081.db2.gz AUTWBTCPDDXIHT-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670712535 1158714086 /nfs/dbraw/zinc/71/40/86/1158714086.db2.gz AUTWBTCPDDXIHT-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1C#N ZINC000925841325 692890750 /nfs/dbraw/zinc/89/07/50/692890750.db2.gz QLKXCEGZTZJQMG-BBRMVZONSA-N 2 2 273.380 1.723 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927761495 692997591 /nfs/dbraw/zinc/99/75/91/692997591.db2.gz UNUWHLZADDZJGW-UHFFFAOYSA-N 2 2 296.440 1.329 10 30 CDEELP C#CCCCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929260123 695068517 /nfs/dbraw/zinc/06/85/17/695068517.db2.gz UKJAVCNDGLZVNM-UHFFFAOYSA-N 2 2 279.428 1.276 10 30 CDEELP C#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001269988468 1160081909 /nfs/dbraw/zinc/08/19/09/1160081909.db2.gz AXCOGEJECOSFLI-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671192603 1167012599 /nfs/dbraw/zinc/01/25/99/1167012599.db2.gz FSXRAFRNFDSFLA-GFCCVEGCSA-N 2 2 290.411 1.758 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001567053947 1168535847 /nfs/dbraw/zinc/53/58/47/1168535847.db2.gz HEPMIYDXBLRCCK-JHJVBQTASA-N 2 2 276.384 1.194 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001567744599 1168950130 /nfs/dbraw/zinc/95/01/30/1168950130.db2.gz BJQNENXOACFFLC-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001567744599 1168950141 /nfs/dbraw/zinc/95/01/41/1168950141.db2.gz BJQNENXOACFFLC-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C#CCC[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001673997810 1173905377 /nfs/dbraw/zinc/90/53/77/1173905377.db2.gz YNBLILXVADTZIP-UHFFFAOYSA-N 2 2 288.395 1.255 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001690590657 1175514968 /nfs/dbraw/zinc/51/49/68/1175514968.db2.gz CXVBSQSDOCEUMV-ZDUSSCGKSA-N 2 2 291.395 1.693 10 30 CDEELP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690817648 1175579523 /nfs/dbraw/zinc/57/95/23/1175579523.db2.gz RALKZGMACRUIFA-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690817648 1175579530 /nfs/dbraw/zinc/57/95/30/1175579530.db2.gz RALKZGMACRUIFA-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968388 1175660274 /nfs/dbraw/zinc/66/02/74/1175660274.db2.gz IBNSSEQMWKBWEG-CQSZACIVSA-N 2 2 296.374 1.361 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968388 1175660277 /nfs/dbraw/zinc/66/02/77/1175660277.db2.gz IBNSSEQMWKBWEG-CQSZACIVSA-N 2 2 296.374 1.361 10 30 CDEELP C=CC[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001692338222 1175740956 /nfs/dbraw/zinc/74/09/56/1175740956.db2.gz YRMHJTKWQBHDEA-GFCCVEGCSA-N 2 2 262.357 1.068 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001699580629 1176483578 /nfs/dbraw/zinc/48/35/78/1176483578.db2.gz WWDIIERAHVLGGW-UPJWGTAASA-N 2 2 274.368 1.184 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001699580629 1176483583 /nfs/dbraw/zinc/48/35/83/1176483583.db2.gz WWDIIERAHVLGGW-UPJWGTAASA-N 2 2 274.368 1.184 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001699947063 1176692842 /nfs/dbraw/zinc/69/28/42/1176692842.db2.gz BUGAXVGHSIMASL-KBPBESRZSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001707433666 1178041717 /nfs/dbraw/zinc/04/17/17/1178041717.db2.gz BXDINCJJIDJURH-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C#CCC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001713681546 1178707958 /nfs/dbraw/zinc/70/79/58/1178707958.db2.gz IBDAFICUWHFDMA-CYBMUJFWSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001714047639 1178946018 /nfs/dbraw/zinc/94/60/18/1178946018.db2.gz DUJLMTWEBJYFHC-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001714047639 1178946023 /nfs/dbraw/zinc/94/60/23/1178946023.db2.gz DUJLMTWEBJYFHC-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP 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1.188 10 30 CDEELP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247090709 361009455 /nfs/dbraw/zinc/00/94/55/361009455.db2.gz XNAOAQHEVMSUIB-KBPBESRZSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247090709 361009461 /nfs/dbraw/zinc/00/94/61/361009461.db2.gz XNAOAQHEVMSUIB-KBPBESRZSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247090709 361009465 /nfs/dbraw/zinc/00/94/65/361009465.db2.gz XNAOAQHEVMSUIB-KBPBESRZSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247090709 361009470 /nfs/dbraw/zinc/00/94/70/361009470.db2.gz XNAOAQHEVMSUIB-KBPBESRZSA-N 2 2 280.416 1.163 10 30 CDEELP CC[C@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000580960615 372763153 /nfs/dbraw/zinc/76/31/53/372763153.db2.gz SSNMMENYCDBJTQ-GFCCVEGCSA-N 2 2 278.400 1.011 10 30 CDEELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182562 373946567 /nfs/dbraw/zinc/94/65/67/373946567.db2.gz COLARZJORUPLLC-DOMZBBRYSA-N 2 2 259.353 1.477 10 30 CDEELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182562 373946576 /nfs/dbraw/zinc/94/65/76/373946576.db2.gz COLARZJORUPLLC-DOMZBBRYSA-N 2 2 259.353 1.477 10 30 CDEELP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000336793171 377495876 /nfs/dbraw/zinc/49/58/76/377495876.db2.gz VSFKPIJZFMRCND-ZDUSSCGKSA-N 2 2 251.374 1.067 10 30 CDEELP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000336793171 377495881 /nfs/dbraw/zinc/49/58/81/377495881.db2.gz VSFKPIJZFMRCND-ZDUSSCGKSA-N 2 2 251.374 1.067 10 30 CDEELP CC#CCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000155189067 390917576 /nfs/dbraw/zinc/91/75/76/390917576.db2.gz JZXGMJFQEQFLCI-CQSZACIVSA-N 2 2 250.386 1.585 10 30 CDEELP CC#CCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000155189067 390917577 /nfs/dbraw/zinc/91/75/77/390917577.db2.gz JZXGMJFQEQFLCI-CQSZACIVSA-N 2 2 250.386 1.585 10 30 CDEELP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1C#N ZINC000423126628 392958529 /nfs/dbraw/zinc/95/85/29/392958529.db2.gz SAMJOEFRFNAGHD-BXUZGUMPSA-N 2 2 259.353 1.797 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918120 398118412 /nfs/dbraw/zinc/11/84/12/398118412.db2.gz MXHKGKNLEMMSJU-IHRRRGAJSA-N 2 2 265.401 1.141 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918120 398118417 /nfs/dbraw/zinc/11/84/17/398118417.db2.gz MXHKGKNLEMMSJU-IHRRRGAJSA-N 2 2 265.401 1.141 10 30 CDEELP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251417 414585315 /nfs/dbraw/zinc/58/53/15/414585315.db2.gz BWGGDBVKBOPXBX-INIZCTEOSA-N 2 2 276.380 1.672 10 30 CDEELP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251417 414585316 /nfs/dbraw/zinc/58/53/16/414585316.db2.gz BWGGDBVKBOPXBX-INIZCTEOSA-N 2 2 276.380 1.672 10 30 CDEELP CC(C)N1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688927 175095370 /nfs/dbraw/zinc/09/53/70/175095370.db2.gz RAYLYBRLVICTOC-UHFFFAOYSA-N 2 2 277.437 1.584 10 30 CDEELP Cn1cc[nH+]c1CC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000045134254 175312430 /nfs/dbraw/zinc/31/24/30/175312430.db2.gz PNKJDNHEYSAGPD-AWEZNQCLSA-N 2 2 270.336 1.157 10 30 CDEELP C[NH+](C)C1CC[NH+](CC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045181014 175325171 /nfs/dbraw/zinc/32/51/71/175325171.db2.gz WORWLYKUDKWEHR-HNNXBMFYSA-N 2 2 264.417 1.437 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001669974365 1173639145 /nfs/dbraw/zinc/63/91/45/1173639145.db2.gz UJOWJOLZKZWRMN-OLZOCXBDSA-N 2 2 276.384 1.403 10 30 CDEELP CC[NH+](CC)[C@H]1CCN(C[C@@]([NH3+])(C#N)C2CC2)C1 ZINC000069083281 520871860 /nfs/dbraw/zinc/87/18/60/520871860.db2.gz DCHBCVFQAAGARF-KBPBESRZSA-N 2 2 250.390 1.034 10 30 CDEELP COCC[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760841 523943615 /nfs/dbraw/zinc/94/36/15/523943615.db2.gz IQKMHSALHTVFMV-OAHLLOKOSA-N 2 2 288.395 1.401 10 30 CDEELP COCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760841 523943617 /nfs/dbraw/zinc/94/36/17/523943617.db2.gz IQKMHSALHTVFMV-OAHLLOKOSA-N 2 2 288.395 1.401 10 30 CDEELP C[N@H+](Cc1cc(C#CCO)cs1)C1CC[NH+](C)CC1 ZINC000043698470 570261700 /nfs/dbraw/zinc/26/17/00/570261700.db2.gz YYFRKBSRUVMRGV-UHFFFAOYSA-N 2 2 278.421 1.618 10 30 CDEELP C[N@@H+](Cc1cc(C#CCO)cs1)C1CC[NH+](C)CC1 ZINC000043698470 570261703 /nfs/dbraw/zinc/26/17/03/570261703.db2.gz YYFRKBSRUVMRGV-UHFFFAOYSA-N 2 2 278.421 1.618 10 30 CDEELP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939856444 613386254 /nfs/dbraw/zinc/38/62/54/613386254.db2.gz MFUGWXUVZPPEPF-CMPLNLGQSA-N 2 2 282.775 1.072 10 30 CDEELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C#N)ccn1 ZINC000902993092 625738863 /nfs/dbraw/zinc/73/88/63/625738863.db2.gz POOJRQHDRMCYBM-ZYHUDNBSSA-N 2 2 267.336 1.884 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571355 1166375882 /nfs/dbraw/zinc/37/58/82/1166375882.db2.gz JMVWHBYNKPMWID-ARFHVFGLSA-N 2 2 293.455 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571355 1166375887 /nfs/dbraw/zinc/37/58/87/1166375887.db2.gz JMVWHBYNKPMWID-ARFHVFGLSA-N 2 2 293.455 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571355 1166375889 /nfs/dbraw/zinc/37/58/89/1166375889.db2.gz JMVWHBYNKPMWID-ARFHVFGLSA-N 2 2 293.455 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571355 1166375894 /nfs/dbraw/zinc/37/58/94/1166375894.db2.gz JMVWHBYNKPMWID-ARFHVFGLSA-N 2 2 293.455 1.826 10 30 CDEELP C#CCC[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567027463 1168518518 /nfs/dbraw/zinc/51/85/18/1168518518.db2.gz BEKQREOOVNIGOD-NSHDSACASA-N 2 2 270.336 1.294 10 30 CDEELP C#CCC[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001569257596 1169737874 /nfs/dbraw/zinc/73/78/74/1169737874.db2.gz JJUXOKDKRFYSOS-UHFFFAOYSA-N 2 2 276.384 1.149 10 30 CDEELP C#CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001662293144 1172522407 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10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691984795 1175661542 /nfs/dbraw/zinc/66/15/42/1175661542.db2.gz NDMHIRUOUBOSFH-UONOGXRCSA-N 2 2 288.395 1.002 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691984795 1175661550 /nfs/dbraw/zinc/66/15/50/1175661550.db2.gz NDMHIRUOUBOSFH-UONOGXRCSA-N 2 2 288.395 1.002 10 30 CDEELP C=C(C)CC[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001692351861 1175745731 /nfs/dbraw/zinc/74/57/31/1175745731.db2.gz DZCSHMARSSUCPX-UHFFFAOYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001698605005 1175869252 /nfs/dbraw/zinc/86/92/52/1175869252.db2.gz SPFHGJOVDHXEAN-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001698890894 1175979443 /nfs/dbraw/zinc/97/94/43/1175979443.db2.gz HQVGGXVJCAWAGX-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698997083 1176026223 /nfs/dbraw/zinc/02/62/23/1176026223.db2.gz JLCRXVSTTJQDOI-CYBMUJFWSA-N 2 2 278.400 1.697 10 30 CDEELP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698997083 1176026230 /nfs/dbraw/zinc/02/62/30/1176026230.db2.gz JLCRXVSTTJQDOI-CYBMUJFWSA-N 2 2 278.400 1.697 10 30 CDEELP C=C(Cl)C[NH2+]CCN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC001699205538 1176138749 /nfs/dbraw/zinc/13/87/49/1176138749.db2.gz HUWFMULDFPXGRZ-UHFFFAOYSA-N 2 2 270.764 1.143 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001699278337 1176192017 /nfs/dbraw/zinc/19/20/17/1176192017.db2.gz RCSMLVNKAQMQRJ-VQTKUKTRSA-N 2 2 288.395 1.284 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001700259754 1176819447 /nfs/dbraw/zinc/81/94/47/1176819447.db2.gz KINZYCDNRHMIPP-JSGCOSHPSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001700259754 1176819456 /nfs/dbraw/zinc/81/94/56/1176819456.db2.gz KINZYCDNRHMIPP-JSGCOSHPSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714448061 1179143323 /nfs/dbraw/zinc/14/33/23/1179143323.db2.gz MEQPIYJFKUBXJH-ZDUSSCGKSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714448061 1179143325 /nfs/dbraw/zinc/14/33/25/1179143325.db2.gz MEQPIYJFKUBXJH-ZDUSSCGKSA-N 2 2 276.384 1.451 10 30 CDEELP CC#CC[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714736539 1179365278 /nfs/dbraw/zinc/36/52/78/1179365278.db2.gz OAFINFNKODBCMC-UHFFFAOYSA-N 2 2 270.336 1.019 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001714778550 1179392538 /nfs/dbraw/zinc/39/25/38/1179392538.db2.gz VVSHXFHQWQMDBH-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001714794820 1179401532 /nfs/dbraw/zinc/40/15/32/1179401532.db2.gz KJIRGMHCPSBUEB-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001714794820 1179401536 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1.943 10 30 CDEELP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001724238054 1181657519 /nfs/dbraw/zinc/65/75/19/1181657519.db2.gz PAJREPVILJHJCH-INIZCTEOSA-N 2 2 288.395 1.125 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001724790916 1181754777 /nfs/dbraw/zinc/75/47/77/1181754777.db2.gz GUIJHZIZVZXNCR-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C#CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001724924137 1181794779 /nfs/dbraw/zinc/79/47/79/1181794779.db2.gz UYRGHHRWRKZASU-UHFFFAOYSA-N 2 2 297.402 1.347 10 30 CDEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001724924137 1181794788 /nfs/dbraw/zinc/79/47/88/1181794788.db2.gz UYRGHHRWRKZASU-UHFFFAOYSA-N 2 2 297.402 1.347 10 30 CDEELP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725170464 1181902399 /nfs/dbraw/zinc/90/23/99/1181902399.db2.gz KPVWDZWOYQKSGO-CABCVRRESA-N 2 2 290.411 1.540 10 30 CDEELP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725170464 1181902404 /nfs/dbraw/zinc/90/24/04/1181902404.db2.gz KPVWDZWOYQKSGO-CABCVRRESA-N 2 2 290.411 1.540 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001725494077 1182023562 /nfs/dbraw/zinc/02/35/62/1182023562.db2.gz GXTDDRWZDDNXBL-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001731404049 1182367930 /nfs/dbraw/zinc/36/79/30/1182367930.db2.gz BPJFKUILQDYQNV-CYBMUJFWSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001731408303 1182369279 /nfs/dbraw/zinc/36/92/79/1182369279.db2.gz YMAOJWGPBNCYPX-OCCSQVGLSA-N 2 2 276.384 1.505 10 30 CDEELP CC#CC[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001731771413 1182566070 /nfs/dbraw/zinc/56/60/70/1182566070.db2.gz TWVRNOVPFUIPKX-AWEZNQCLSA-N 2 2 290.411 1.468 10 30 CDEELP CC#CC[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001731771413 1182566084 /nfs/dbraw/zinc/56/60/84/1182566084.db2.gz TWVRNOVPFUIPKX-AWEZNQCLSA-N 2 2 290.411 1.468 10 30 CDEELP C=CC[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001733451935 1183436035 /nfs/dbraw/zinc/43/60/35/1183436035.db2.gz KJVMIDQETHRICT-UHFFFAOYSA-N 2 2 290.411 1.367 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001734126752 1183668342 /nfs/dbraw/zinc/66/83/42/1183668342.db2.gz PUHRPCDZFOENNQ-CHWSQXEVSA-N 2 2 290.411 1.743 10 30 CDEELP CC#CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000801161809 723716695 /nfs/dbraw/zinc/71/66/95/723716695.db2.gz HLMFBEFFFLRFRW-UHFFFAOYSA-N 2 2 277.412 1.076 10 30 CDEELP CCC1([NH+](C)C)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000715176255 723699875 /nfs/dbraw/zinc/69/98/75/723699875.db2.gz DJHOMHNSCRWQRM-CYBMUJFWSA-N 2 2 253.390 1.721 10 30 CDEELP C#CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878613148 725336794 /nfs/dbraw/zinc/33/67/94/725336794.db2.gz GOIYVSUOSBFYBO-UHFFFAOYSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878613148 725336796 /nfs/dbraw/zinc/33/67/96/725336796.db2.gz GOIYVSUOSBFYBO-UHFFFAOYSA-N 2 2 299.418 1.332 10 30 CDEELP Cc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1C#N ZINC000925841326 725465028 /nfs/dbraw/zinc/46/50/28/725465028.db2.gz QLKXCEGZTZJQMG-CJNGLKHVSA-N 2 2 273.380 1.723 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000877247694 725910054 /nfs/dbraw/zinc/91/00/54/725910054.db2.gz VAJHZLJKHHNSIP-KBPBESRZSA-N 2 2 293.798 1.759 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000877247694 725910058 /nfs/dbraw/zinc/91/00/58/725910058.db2.gz VAJHZLJKHHNSIP-KBPBESRZSA-N 2 2 293.798 1.759 10 30 CDEELP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923428915 725983331 /nfs/dbraw/zinc/98/33/31/725983331.db2.gz SFEACEDWRHOQSL-HZPDHXFCSA-N 2 2 285.391 1.856 10 30 CDEELP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001566566256 1168338672 /nfs/dbraw/zinc/33/86/72/1168338672.db2.gz VLISJPONZXSILJ-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP C=CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001566566256 1168338677 /nfs/dbraw/zinc/33/86/77/1168338677.db2.gz VLISJPONZXSILJ-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001567371620 1168712552 /nfs/dbraw/zinc/71/25/52/1168712552.db2.gz KZAYREGCKKJGFX-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001567371620 1168712559 /nfs/dbraw/zinc/71/25/59/1168712559.db2.gz KZAYREGCKKJGFX-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001267014734 896566493 /nfs/dbraw/zinc/56/64/93/896566493.db2.gz PTXNXYNAFANBAE-ZDUSSCGKSA-N 2 2 282.347 1.162 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001496350729 899628209 /nfs/dbraw/zinc/62/82/09/899628209.db2.gz LFNQMGAZIHDPFM-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567701094 1168926629 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CDEELP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264435801 944137143 /nfs/dbraw/zinc/13/71/43/944137143.db2.gz XCKMCQWJZWUFHJ-MGPQQGTHSA-N 2 2 288.395 1.096 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265308315 944338530 /nfs/dbraw/zinc/33/85/30/944338530.db2.gz QITKEBBSMGFYCJ-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265308315 944338538 /nfs/dbraw/zinc/33/85/38/944338538.db2.gz QITKEBBSMGFYCJ-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C#CC[N@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001265597001 944442641 /nfs/dbraw/zinc/44/26/41/944442641.db2.gz OIVNCLJOWXHFEP-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C#CC[N@@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001265597001 944442643 /nfs/dbraw/zinc/44/26/43/944442643.db2.gz OIVNCLJOWXHFEP-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001479410882 971323191 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CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001317407014 957457304 /nfs/dbraw/zinc/45/73/04/957457304.db2.gz BMGRPQGLVZMONJ-KGLIPLIRSA-N 2 2 278.400 1.895 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317530110 957531935 /nfs/dbraw/zinc/53/19/35/957531935.db2.gz UAHZBNHLDCPEIM-HUUCEWRRSA-N 2 2 290.411 1.848 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317530110 957531940 /nfs/dbraw/zinc/53/19/40/957531940.db2.gz UAHZBNHLDCPEIM-HUUCEWRRSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001318280989 958018208 /nfs/dbraw/zinc/01/82/08/958018208.db2.gz CDEPDVBSWILOEI-OLZOCXBDSA-N 2 2 262.357 1.211 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001318280989 958018222 /nfs/dbraw/zinc/01/82/22/958018222.db2.gz CDEPDVBSWILOEI-OLZOCXBDSA-N 2 2 262.357 1.211 10 30 CDEELP C=CCC[N@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001333350235 958271721 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CDEELP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495209 342696994 /nfs/dbraw/zinc/69/69/94/342696994.db2.gz JGGQRNZCRDBNIB-LALPHHSUSA-N 2 2 258.369 1.758 10 30 CDEELP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001660551025 1172233912 /nfs/dbraw/zinc/23/39/12/1172233912.db2.gz VCVZVYQTZSYUEJ-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001660551025 1172233919 /nfs/dbraw/zinc/23/39/19/1172233919.db2.gz VCVZVYQTZSYUEJ-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000655941463 412953739 /nfs/dbraw/zinc/95/37/39/412953739.db2.gz UZYJLYQNZVRRBY-HOCLYGCPSA-N 2 2 289.427 1.818 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000655941463 412953744 /nfs/dbraw/zinc/95/37/44/412953744.db2.gz UZYJLYQNZVRRBY-HOCLYGCPSA-N 2 2 289.427 1.818 10 30 CDEELP C=CCOCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000339152498 391260966 /nfs/dbraw/zinc/26/09/66/391260966.db2.gz 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C=CCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000682435401 482664769 /nfs/dbraw/zinc/66/47/69/482664769.db2.gz QVGKDLUUCKNUFU-MRXNPFEDSA-N 2 2 262.397 1.987 10 30 CDEELP C[C@@H]1COCCC[NH+]1CC#CC[N@H+]1CCCOC[C@@H]1C ZINC000671242375 483191150 /nfs/dbraw/zinc/19/11/50/483191150.db2.gz MQSJOMYEPVZXLJ-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP C[C@@H]1COCCC[NH+]1CC#CC[N@@H+]1CCCOC[C@@H]1C ZINC000671242375 483191153 /nfs/dbraw/zinc/19/11/53/483191153.db2.gz MQSJOMYEPVZXLJ-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP C[C@@H]1COCCC[N@H+]1CC#CC[NH+]1CCCOC[C@@H]1C ZINC000671242375 483191156 /nfs/dbraw/zinc/19/11/56/483191156.db2.gz MQSJOMYEPVZXLJ-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP C[C@@H]1COCCC[N@@H+]1CC#CC[NH+]1CCCOC[C@@H]1C ZINC000671242375 483191159 /nfs/dbraw/zinc/19/11/59/483191159.db2.gz MQSJOMYEPVZXLJ-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484169680 1161256427 /nfs/dbraw/zinc/25/64/27/1161256427.db2.gz DCSWTRZLKFLXKD-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001733999465 1183609240 /nfs/dbraw/zinc/60/92/40/1183609240.db2.gz HVGOZFDZKAJRAO-NEPJUHHUSA-N 2 2 264.373 1.022 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001688950927 1175076617 /nfs/dbraw/zinc/07/66/17/1175076617.db2.gz CAZRTUJDRARBNT-HDJSIYSDSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691026068 1158600148 /nfs/dbraw/zinc/60/01/48/1158600148.db2.gz QNSHEBRMSVVJJS-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691026068 1158600151 /nfs/dbraw/zinc/60/01/51/1158600151.db2.gz QNSHEBRMSVVJJS-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001700447670 1159010937 /nfs/dbraw/zinc/01/09/37/1159010937.db2.gz JOJAQCVALHABJQ-UHFFFAOYSA-N 2 2 292.427 1.911 10 30 CDEELP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001691528250 1160361290 /nfs/dbraw/zinc/36/12/90/1160361290.db2.gz IYVMXTVAPWATOS-UHFFFAOYSA-N 2 2 297.362 1.072 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001569527554 1169910754 /nfs/dbraw/zinc/91/07/54/1169910754.db2.gz QFYOQMWUTKCXRH-TZMCWYRMSA-N 2 2 288.395 1.253 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001569855422 1170019547 /nfs/dbraw/zinc/01/95/47/1170019547.db2.gz HQBZSCDUBJXCDT-CABCVRRESA-N 2 2 290.411 1.533 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001570648555 1170221904 /nfs/dbraw/zinc/22/19/04/1170221904.db2.gz ZGDHJQPGVQILEI-WDEREUQCSA-N 2 2 264.373 1.320 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001657076197 1171925917 /nfs/dbraw/zinc/92/59/17/1171925917.db2.gz RKFYNSRQIJEYAH-AWEZNQCLSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001657076197 1171925922 /nfs/dbraw/zinc/92/59/22/1171925922.db2.gz RKFYNSRQIJEYAH-AWEZNQCLSA-N 2 2 290.411 1.841 10 30 CDEELP C#CCC[N@H+](CCC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001663671930 1172743975 /nfs/dbraw/zinc/74/39/75/1172743975.db2.gz GQAOMYPKHBPTBR-UHFFFAOYSA-N 2 2 298.390 1.799 10 30 CDEELP C#CCC[N@@H+](CCC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001663671930 1172743980 /nfs/dbraw/zinc/74/39/80/1172743980.db2.gz GQAOMYPKHBPTBR-UHFFFAOYSA-N 2 2 298.390 1.799 10 30 CDEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001665850199 1173073271 /nfs/dbraw/zinc/07/32/71/1173073271.db2.gz OSGMRAHFJYULFM-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001676435756 1174225325 /nfs/dbraw/zinc/22/53/25/1174225325.db2.gz UFFSXVJROOCZTE-QWHCGFSZSA-N 2 2 264.373 1.457 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498702 1175482883 /nfs/dbraw/zinc/48/28/83/1175482883.db2.gz KYEPVGFTNLBDII-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498702 1175482888 /nfs/dbraw/zinc/48/28/88/1175482888.db2.gz KYEPVGFTNLBDII-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498702 1175482893 /nfs/dbraw/zinc/48/28/93/1175482893.db2.gz KYEPVGFTNLBDII-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498702 1175482896 /nfs/dbraw/zinc/48/28/96/1175482896.db2.gz KYEPVGFTNLBDII-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001699210484 1176140169 /nfs/dbraw/zinc/14/01/69/1176140169.db2.gz KDHFEWFGFITGGA-UHFFFAOYSA-N 2 2 297.443 1.111 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001699610176 1176496825 /nfs/dbraw/zinc/49/68/25/1176496825.db2.gz PQJDZJMVMDNHCQ-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001699969709 1176701751 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C#CC[C@H](COC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858334546 726091359 /nfs/dbraw/zinc/09/13/59/726091359.db2.gz BFAHJMTUCRDCQN-LLVKDONJSA-N 2 2 267.398 1.333 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1 ZINC000878319077 727362555 /nfs/dbraw/zinc/36/25/55/727362555.db2.gz ITTLVSLSZNLRKR-LBPRGKRZSA-N 2 2 251.330 1.323 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878319077 727362557 /nfs/dbraw/zinc/36/25/57/727362557.db2.gz ITTLVSLSZNLRKR-LBPRGKRZSA-N 2 2 251.330 1.323 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001571420304 1167595455 /nfs/dbraw/zinc/59/54/55/1167595455.db2.gz IUANYJJOEFEQES-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567267225 1168643835 /nfs/dbraw/zinc/64/38/35/1168643835.db2.gz UECNNEOWWLBRLG-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567267225 1168643836 /nfs/dbraw/zinc/64/38/36/1168643836.db2.gz UECNNEOWWLBRLG-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001266288792 894166786 /nfs/dbraw/zinc/16/67/86/894166786.db2.gz PYLQWDPVRMDANA-UHFFFAOYSA-N 2 2 291.395 1.647 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001266288792 894166799 /nfs/dbraw/zinc/16/67/99/894166799.db2.gz PYLQWDPVRMDANA-UHFFFAOYSA-N 2 2 291.395 1.647 10 30 CDEELP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267116483 896835197 /nfs/dbraw/zinc/83/51/97/896835197.db2.gz HWFPVJFFZYDFKY-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267116483 896835212 /nfs/dbraw/zinc/83/52/12/896835212.db2.gz HWFPVJFFZYDFKY-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001267297761 897500309 /nfs/dbraw/zinc/50/03/09/897500309.db2.gz GSGOCEWPKNWAHS-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001267297761 897500318 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C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267742893 899525012 /nfs/dbraw/zinc/52/50/12/899525012.db2.gz DHUBOZMPUUODGC-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267742893 899525025 /nfs/dbraw/zinc/52/50/25/899525025.db2.gz DHUBOZMPUUODGC-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267742893 899525035 /nfs/dbraw/zinc/52/50/35/899525035.db2.gz DHUBOZMPUUODGC-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267993505 900215260 /nfs/dbraw/zinc/21/52/60/900215260.db2.gz YTZFWLDYQUSVPT-ZIAGYGMSSA-N 2 2 290.411 1.364 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001269425804 903799709 /nfs/dbraw/zinc/79/97/09/903799709.db2.gz UERDXCIXIQCKOS-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482609117 907888717 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CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001495394010 927228656 /nfs/dbraw/zinc/22/86/56/927228656.db2.gz SOCQGSPJCLEAHY-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001274357402 931493687 /nfs/dbraw/zinc/49/36/87/931493687.db2.gz YVXZHZPOHULOAX-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001276665037 940626830 /nfs/dbraw/zinc/62/68/30/940626830.db2.gz KCTRHMYQECYINA-CYBMUJFWSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001284002773 943046747 /nfs/dbraw/zinc/04/67/47/943046747.db2.gz YHRBUTMRQYGREF-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001264178209 944093661 /nfs/dbraw/zinc/09/36/61/944093661.db2.gz WMXVZSLCDUJYRI-WBVHZDCISA-N 2 2 299.418 1.331 10 30 CDEELP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001264178209 944093665 /nfs/dbraw/zinc/09/36/65/944093665.db2.gz WMXVZSLCDUJYRI-WBVHZDCISA-N 2 2 299.418 1.331 10 30 CDEELP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001264178209 944093671 /nfs/dbraw/zinc/09/36/71/944093671.db2.gz WMXVZSLCDUJYRI-WBVHZDCISA-N 2 2 299.418 1.331 10 30 CDEELP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001264178209 944093673 /nfs/dbraw/zinc/09/36/73/944093673.db2.gz WMXVZSLCDUJYRI-WBVHZDCISA-N 2 2 299.418 1.331 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265088169 944225555 /nfs/dbraw/zinc/22/55/55/944225555.db2.gz AMPKPJWHIPFZJR-HIFRSBDPSA-N 2 2 288.395 1.335 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001480488942 971752879 /nfs/dbraw/zinc/75/28/79/971752879.db2.gz BUOVDAUVXZKFRC-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccn3)CC[C@H]21 ZINC001363193746 971960378 /nfs/dbraw/zinc/96/03/78/971960378.db2.gz BCNOZPUUGFSYJR-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccn3)CC[C@H]21 ZINC001363193746 971960386 /nfs/dbraw/zinc/96/03/86/971960386.db2.gz BCNOZPUUGFSYJR-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C#N)ccn3)CC[C@H]21 ZINC001363193746 971960391 /nfs/dbraw/zinc/96/03/91/971960391.db2.gz BCNOZPUUGFSYJR-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)ccn3)CC[C@H]21 ZINC001363193746 971960394 /nfs/dbraw/zinc/96/03/94/971960394.db2.gz BCNOZPUUGFSYJR-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001325524046 953946917 /nfs/dbraw/zinc/94/69/17/953946917.db2.gz CNXRAIKBBYSSOM-KGLIPLIRSA-N 2 2 288.395 1.050 10 30 CDEELP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001325524046 953946930 /nfs/dbraw/zinc/94/69/30/953946930.db2.gz CNXRAIKBBYSSOM-KGLIPLIRSA-N 2 2 288.395 1.050 10 30 CDEELP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC001366595885 957012313 /nfs/dbraw/zinc/01/23/13/957012313.db2.gz NRGRUKRIQYZQTH-UHFFFAOYSA-N 2 2 297.362 1.003 10 30 CDEELP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC001366595885 957012333 /nfs/dbraw/zinc/01/23/33/957012333.db2.gz NRGRUKRIQYZQTH-UHFFFAOYSA-N 2 2 297.362 1.003 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001316951047 957148837 /nfs/dbraw/zinc/14/88/37/957148837.db2.gz XLDDEDSMIJZCFB-KBPBESRZSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001316951047 957148844 /nfs/dbraw/zinc/14/88/44/957148844.db2.gz XLDDEDSMIJZCFB-KBPBESRZSA-N 2 2 276.384 1.601 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512421 957521950 /nfs/dbraw/zinc/52/19/50/957521950.db2.gz KYPOWDXNONBANP-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512421 957521954 /nfs/dbraw/zinc/52/19/54/957521954.db2.gz KYPOWDXNONBANP-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001319134730 958392161 /nfs/dbraw/zinc/39/21/61/958392161.db2.gz OPNQVVHNXGYOIN-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320438425 959174153 /nfs/dbraw/zinc/17/41/53/959174153.db2.gz ARHMULDMCXKVCU-NSHDSACASA-N 2 2 284.791 1.579 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320438425 959174162 /nfs/dbraw/zinc/17/41/62/959174162.db2.gz ARHMULDMCXKVCU-NSHDSACASA-N 2 2 284.791 1.579 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368999018 959353697 /nfs/dbraw/zinc/35/36/97/959353697.db2.gz PMUUEBOLVOYNTR-VXGBXAGGSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368999018 959353737 /nfs/dbraw/zinc/35/37/37/959353737.db2.gz PMUUEBOLVOYNTR-VXGBXAGGSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001495303754 972467699 /nfs/dbraw/zinc/46/76/99/972467699.db2.gz RIFUWVODSMANAS-HNNXBMFYSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001324085322 961157253 /nfs/dbraw/zinc/15/72/53/961157253.db2.gz CDJVBUUMRNKCNI-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC001346135051 964949287 /nfs/dbraw/zinc/94/92/87/964949287.db2.gz CQUUMNHDEFWETN-QAPCUYQASA-N 2 2 286.419 1.838 10 30 CDEELP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001498313120 973825748 /nfs/dbraw/zinc/82/57/48/973825748.db2.gz ZRZJHNVSCGCTSK-LSDHHAIUSA-N 2 2 290.411 1.540 10 30 CDEELP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001498313120 973825757 /nfs/dbraw/zinc/82/57/57/973825757.db2.gz ZRZJHNVSCGCTSK-LSDHHAIUSA-N 2 2 290.411 1.540 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001506026954 975092598 /nfs/dbraw/zinc/09/25/98/975092598.db2.gz BEPGRWRPHAPPKO-STQMWFEESA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001506026954 975092604 /nfs/dbraw/zinc/09/26/04/975092604.db2.gz BEPGRWRPHAPPKO-STQMWFEESA-N 2 2 278.400 1.743 10 30 CDEELP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001508139417 975620676 /nfs/dbraw/zinc/62/06/76/975620676.db2.gz RAUVSIGDWMBANA-NFOMZHRRSA-N 2 2 288.395 1.437 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392718875 977568738 /nfs/dbraw/zinc/56/87/38/977568738.db2.gz KWLDDAFKNZLAIM-LBPRGKRZSA-N 2 2 285.819 1.271 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392718875 977568750 /nfs/dbraw/zinc/56/87/50/977568750.db2.gz KWLDDAFKNZLAIM-LBPRGKRZSA-N 2 2 285.819 1.271 10 30 CDEELP CC#CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001675008912 1174059090 /nfs/dbraw/zinc/05/90/90/1174059090.db2.gz KUTCVSWFUUPONX-ZIAGYGMSSA-N 2 2 276.384 1.294 10 30 CDEELP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001675008912 1174059096 /nfs/dbraw/zinc/05/90/96/1174059096.db2.gz KUTCVSWFUUPONX-ZIAGYGMSSA-N 2 2 276.384 1.294 10 30 CDEELP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001675008909 1174059377 /nfs/dbraw/zinc/05/93/77/1174059377.db2.gz KUTCVSWFUUPONX-KBPBESRZSA-N 2 2 276.384 1.294 10 30 CDEELP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001675008909 1174059383 /nfs/dbraw/zinc/05/93/83/1174059383.db2.gz KUTCVSWFUUPONX-KBPBESRZSA-N 2 2 276.384 1.294 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001677287172 1174345177 /nfs/dbraw/zinc/34/51/77/1174345177.db2.gz VOFKEOBQDQIFJP-ZDUSSCGKSA-N 2 2 278.400 1.649 10 30 CDEELP C=CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001570779885 1170279249 /nfs/dbraw/zinc/27/92/49/1170279249.db2.gz WCOLSONHQXDAMN-CQSZACIVSA-N 2 2 278.400 1.601 10 30 CDEELP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000592998098 342752627 /nfs/dbraw/zinc/75/26/27/342752627.db2.gz PSAPFECZDYFEQW-CHWSQXEVSA-N 2 2 272.308 1.118 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000594441201 342907463 /nfs/dbraw/zinc/90/74/63/342907463.db2.gz OQIRWNRLJSSWKH-CQSZACIVSA-N 2 2 299.378 1.404 10 30 CDEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600758919 342247792 /nfs/dbraw/zinc/24/77/92/342247792.db2.gz XOFIVTITQQEMJL-LSDHHAIUSA-N 2 2 279.428 1.894 10 30 CDEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600758919 342247793 /nfs/dbraw/zinc/24/77/93/342247793.db2.gz XOFIVTITQQEMJL-LSDHHAIUSA-N 2 2 279.428 1.894 10 30 CDEELP CC#CCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088890 342301231 /nfs/dbraw/zinc/30/12/31/342301231.db2.gz RSCKPDKJNGFKEQ-UHFFFAOYSA-N 2 2 264.413 1.977 10 30 CDEELP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)C[NH3+] ZINC000595890060 343181818 /nfs/dbraw/zinc/18/18/18/343181818.db2.gz BCZWYBXITSDWEY-NSHDSACASA-N 2 2 287.285 1.328 10 30 CDEELP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)C[NH3+] ZINC000595890060 343181819 /nfs/dbraw/zinc/18/18/19/343181819.db2.gz BCZWYBXITSDWEY-NSHDSACASA-N 2 2 287.285 1.328 10 30 CDEELP C[NH+]1CCC(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000328626901 351306599 /nfs/dbraw/zinc/30/65/99/351306599.db2.gz MECRXFUOJPSRLT-LBPRGKRZSA-N 2 2 291.399 1.043 10 30 CDEELP CC[N@@H+]1CCO[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135179260 357759709 /nfs/dbraw/zinc/75/97/09/357759709.db2.gz WUKATHOZSJNGKY-CYBMUJFWSA-N 2 2 253.390 1.627 10 30 CDEELP CC[N@H+]1CCO[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135179260 357759712 /nfs/dbraw/zinc/75/97/12/357759712.db2.gz WUKATHOZSJNGKY-CYBMUJFWSA-N 2 2 253.390 1.627 10 30 CDEELP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](C)C#N ZINC000157646460 360937195 /nfs/dbraw/zinc/93/71/95/360937195.db2.gz FMBFEGYUFDNTMM-CYBMUJFWSA-N 2 2 292.427 1.211 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638523485 370736004 /nfs/dbraw/zinc/73/60/04/370736004.db2.gz BNONITSTUNGCJH-UHFFFAOYSA-N 2 2 297.349 1.983 10 30 CDEELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355124835 373822689 /nfs/dbraw/zinc/82/26/89/373822689.db2.gz LMCVQAOFWBVRHO-INIZCTEOSA-N 2 2 299.422 1.560 10 30 CDEELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355124835 373822695 /nfs/dbraw/zinc/82/26/95/373822695.db2.gz LMCVQAOFWBVRHO-INIZCTEOSA-N 2 2 299.422 1.560 10 30 CDEELP COc1ccc(C#N)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193623032 375883332 /nfs/dbraw/zinc/88/33/32/375883332.db2.gz MVZWHISPHSCGKO-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193623032 375883339 /nfs/dbraw/zinc/88/33/39/375883339.db2.gz MVZWHISPHSCGKO-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP COc1ccc(C#N)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193623032 375883346 /nfs/dbraw/zinc/88/33/46/375883346.db2.gz MVZWHISPHSCGKO-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP COc1ccc(C#N)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193623032 375883352 /nfs/dbraw/zinc/88/33/52/375883352.db2.gz MVZWHISPHSCGKO-GASCZTMLSA-N 2 2 271.364 1.560 10 30 CDEELP C#CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256572 378560873 /nfs/dbraw/zinc/56/08/73/378560873.db2.gz QUUAFGBYWVCUMD-ZDUSSCGKSA-N 2 2 263.410 1.838 10 30 CDEELP C#CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256572 378560881 /nfs/dbraw/zinc/56/08/81/378560881.db2.gz QUUAFGBYWVCUMD-ZDUSSCGKSA-N 2 2 263.410 1.838 10 30 CDEELP C#CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256572 378560889 /nfs/dbraw/zinc/56/08/89/378560889.db2.gz QUUAFGBYWVCUMD-ZDUSSCGKSA-N 2 2 263.410 1.838 10 30 CDEELP C#CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256572 378560891 /nfs/dbraw/zinc/56/08/91/378560891.db2.gz QUUAFGBYWVCUMD-ZDUSSCGKSA-N 2 2 263.410 1.838 10 30 CDEELP Cn1c[nH+]cc1CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000289438401 197348163 /nfs/dbraw/zinc/34/81/63/197348163.db2.gz WGKXEKRXFLRBOA-UHFFFAOYSA-N 2 2 254.337 1.966 10 30 CDEELP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000289438401 197348164 /nfs/dbraw/zinc/34/81/64/197348164.db2.gz WGKXEKRXFLRBOA-UHFFFAOYSA-N 2 2 254.337 1.966 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000655939840 412953027 /nfs/dbraw/zinc/95/30/27/412953027.db2.gz LKHCAYRCPRZDKT-OLZOCXBDSA-N 2 2 263.389 1.271 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000655939840 412953033 /nfs/dbraw/zinc/95/30/33/412953033.db2.gz LKHCAYRCPRZDKT-OLZOCXBDSA-N 2 2 263.389 1.271 10 30 CDEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001664456847 1172855477 /nfs/dbraw/zinc/85/54/77/1172855477.db2.gz BLSGKWVFICGVCU-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[N@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001664730870 1172900577 /nfs/dbraw/zinc/90/05/77/1172900577.db2.gz IHGPZDLIHWJBBR-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001664730870 1172900579 /nfs/dbraw/zinc/90/05/79/1172900579.db2.gz IHGPZDLIHWJBBR-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C=CC[C@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC[NH2+]1 ZINC000662690643 413320330 /nfs/dbraw/zinc/32/03/30/413320330.db2.gz DAVDSUJVIYRRHL-XJKSGUPXSA-N 2 2 288.395 1.814 10 30 CDEELP COC[C@@H](C)[N@H+](C)CCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000045314621 175357598 /nfs/dbraw/zinc/35/75/98/175357598.db2.gz CIGPANCAQBMHRR-OCCSQVGLSA-N 2 2 253.390 1.768 10 30 CDEELP COC[C@@H](C)[N@@H+](C)CCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000045314621 175357599 /nfs/dbraw/zinc/35/75/99/175357599.db2.gz CIGPANCAQBMHRR-OCCSQVGLSA-N 2 2 253.390 1.768 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045321031 175358936 /nfs/dbraw/zinc/35/89/36/175358936.db2.gz ULTVQCNYXJTRDE-HNNXBMFYSA-N 2 2 280.416 1.246 10 30 CDEELP C=CC[C@@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000662687644 424317022 /nfs/dbraw/zinc/31/70/22/424317022.db2.gz HTMFFFUKROVQBV-HIFRSBDPSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001667473914 1173273923 /nfs/dbraw/zinc/27/39/23/1173273923.db2.gz SJLOBYSANBZECD-KBPBESRZSA-N 2 2 290.411 1.362 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001668229692 1173385779 /nfs/dbraw/zinc/38/57/79/1173385779.db2.gz RKKIEJASLCCVFN-UONOGXRCSA-N 2 2 278.400 1.895 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001670734388 1159098883 /nfs/dbraw/zinc/09/88/83/1159098883.db2.gz IPTKFSGHXSNXFO-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001670734388 1159098889 /nfs/dbraw/zinc/09/88/89/1159098889.db2.gz IPTKFSGHXSNXFO-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173952125 329151632 /nfs/dbraw/zinc/15/16/32/329151632.db2.gz IHPLLUSOUVIXGB-UHFFFAOYSA-N 2 2 294.443 1.422 10 30 CDEELP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262504789 330018457 /nfs/dbraw/zinc/01/84/57/330018457.db2.gz ZOGGGWZPAZBPQU-SOUVJXGZSA-N 2 2 294.443 1.014 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001717412675 1180659522 /nfs/dbraw/zinc/65/95/22/1180659522.db2.gz JSRDNIFUCSPYGM-GHMZBOCLSA-N 2 2 250.346 1.011 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001717412675 1180659526 /nfs/dbraw/zinc/65/95/26/1180659526.db2.gz JSRDNIFUCSPYGM-GHMZBOCLSA-N 2 2 250.346 1.011 10 30 CDEELP CN(C)C[C@H]1CCC[N@@H+]1CCCC[C@@](C)([NH3+])C#N ZINC000061652795 521866486 /nfs/dbraw/zinc/86/64/86/521866486.db2.gz BBFWFGJNRHDQOS-ZIAGYGMSSA-N 2 2 252.406 1.424 10 30 CDEELP CN(C)C[C@H]1CCC[N@H+]1CCCC[C@@](C)([NH3+])C#N ZINC000061652795 521866490 /nfs/dbraw/zinc/86/64/90/521866490.db2.gz BBFWFGJNRHDQOS-ZIAGYGMSSA-N 2 2 252.406 1.424 10 30 CDEELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000069172123 523834978 /nfs/dbraw/zinc/83/49/78/523834978.db2.gz YMCBLBDKUAPZIL-INIZCTEOSA-N 2 2 273.380 1.759 10 30 CDEELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000069172123 523834981 /nfs/dbraw/zinc/83/49/81/523834981.db2.gz YMCBLBDKUAPZIL-INIZCTEOSA-N 2 2 273.380 1.759 10 30 CDEELP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897324 527027765 /nfs/dbraw/zinc/02/77/65/527027765.db2.gz PFFOGDDXQFOPCH-UONOGXRCSA-N 2 2 288.395 1.220 10 30 CDEELP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897324 527027768 /nfs/dbraw/zinc/02/77/68/527027768.db2.gz PFFOGDDXQFOPCH-UONOGXRCSA-N 2 2 288.395 1.220 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000757662666 577049212 /nfs/dbraw/zinc/04/92/12/577049212.db2.gz QMFYUXAIIJSLHM-NWDGAFQWSA-N 2 2 269.414 1.032 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903091336 625829132 /nfs/dbraw/zinc/82/91/32/625829132.db2.gz RSUZFIJONKHIJL-CABCVRRESA-N 2 2 266.385 1.174 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921702340 633213028 /nfs/dbraw/zinc/21/30/28/633213028.db2.gz JLNACOIOQTYRLF-UHFFFAOYSA-N 2 2 280.391 1.983 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691026067 1158600343 /nfs/dbraw/zinc/60/03/43/1158600343.db2.gz QNSHEBRMSVVJJS-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691026067 1158600347 /nfs/dbraw/zinc/60/03/47/1158600347.db2.gz QNSHEBRMSVVJJS-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074716 1158892880 /nfs/dbraw/zinc/89/28/80/1158892880.db2.gz GOJQDMZZAJKPAW-HUUCEWRRSA-N 2 2 290.411 1.771 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074716 1158892890 /nfs/dbraw/zinc/89/28/90/1158892890.db2.gz GOJQDMZZAJKPAW-HUUCEWRRSA-N 2 2 290.411 1.771 10 30 CDEELP C#CC[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001772516897 1158549528 /nfs/dbraw/zinc/54/95/28/1158549528.db2.gz HRXCQPOUOCOBBH-UHFFFAOYSA-N 2 2 276.384 1.123 10 30 CDEELP C#CC[N@H+](CCCNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001772516897 1158549531 /nfs/dbraw/zinc/54/95/31/1158549531.db2.gz HRXCQPOUOCOBBH-UHFFFAOYSA-N 2 2 276.384 1.123 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482142392 1159996957 /nfs/dbraw/zinc/99/69/57/1159996957.db2.gz KOZCQQLTVPGJEL-BFHYXJOUSA-N 2 2 290.411 1.442 10 30 CDEELP C#CC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001567040801 1168524516 /nfs/dbraw/zinc/52/45/16/1168524516.db2.gz SZJOBMLVTSCXFK-LBPRGKRZSA-N 2 2 259.353 1.348 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001567836648 1169006398 /nfs/dbraw/zinc/00/63/98/1169006398.db2.gz RKSUZZXLCOFHPW-UHFFFAOYSA-N 2 2 298.390 1.962 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568282589 1169221137 /nfs/dbraw/zinc/22/11/37/1169221137.db2.gz MMRUGDATRTXQIN-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569687620 1169966633 /nfs/dbraw/zinc/96/66/33/1169966633.db2.gz YFSMJELDWTVVNG-CJNGLKHVSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569687620 1169966636 /nfs/dbraw/zinc/96/66/36/1169966636.db2.gz YFSMJELDWTVVNG-CJNGLKHVSA-N 2 2 290.411 1.603 10 30 CDEELP C#CCC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001674811844 1174012057 /nfs/dbraw/zinc/01/20/57/1174012057.db2.gz IKBGKGUPQLREQG-UHFFFAOYSA-N 2 2 288.395 1.266 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001675997162 1174171763 /nfs/dbraw/zinc/17/17/63/1174171763.db2.gz FYJUBRFGUZXQTR-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP CC#CC[NH2+]C[C@@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001698649051 1175886118 /nfs/dbraw/zinc/88/61/18/1175886118.db2.gz LZMCUHLNBYXFCR-MRXNPFEDSA-N 2 2 288.395 1.171 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001699450859 1176414994 /nfs/dbraw/zinc/41/49/94/1176414994.db2.gz MNTVAFKPYSPUMC-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001699450859 1176414999 /nfs/dbraw/zinc/41/49/99/1176414999.db2.gz MNTVAFKPYSPUMC-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001699597284 1176492861 /nfs/dbraw/zinc/49/28/61/1176492861.db2.gz KBXQWCGCDHTJRW-AWEZNQCLSA-N 2 2 276.384 1.334 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001699741184 1176599704 /nfs/dbraw/zinc/59/97/04/1176599704.db2.gz SYALZWGDUVWMNF-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001700140654 1176766367 /nfs/dbraw/zinc/76/63/67/1176766367.db2.gz NXDWNEDCQFXCNU-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001700493981 1176980807 /nfs/dbraw/zinc/98/08/07/1176980807.db2.gz HRWXEMFNRDGLBU-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001700493981 1176980813 /nfs/dbraw/zinc/98/08/13/1176980813.db2.gz HRWXEMFNRDGLBU-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001700493981 1176980818 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C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001707272055 1177985543 /nfs/dbraw/zinc/98/55/43/1177985543.db2.gz TUIOBIPDCPRRHV-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=C(C)C[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001713054332 1178334467 /nfs/dbraw/zinc/33/44/67/1178334467.db2.gz BHDDCXXCKJYIEA-UHFFFAOYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001713914823 1178840055 /nfs/dbraw/zinc/84/00/55/1178840055.db2.gz ALEPJYZOWNIZJA-GASCZTMLSA-N 2 2 288.395 1.525 10 30 CDEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001713914823 1178840067 /nfs/dbraw/zinc/84/00/67/1178840067.db2.gz ALEPJYZOWNIZJA-GASCZTMLSA-N 2 2 288.395 1.525 10 30 CDEELP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714114865 1178979366 /nfs/dbraw/zinc/97/93/66/1178979366.db2.gz ODBDWFVJFWRCAZ-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001714839533 1179417438 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CDEELP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731861328 1182633959 /nfs/dbraw/zinc/63/39/59/1182633959.db2.gz INENMUVAUXRTCL-ZDUSSCGKSA-N 2 2 276.384 1.275 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001732448182 1182970501 /nfs/dbraw/zinc/97/05/01/1182970501.db2.gz IUMKWOLUUYSSML-LBPRGKRZSA-N 2 2 278.400 1.700 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001733171012 1183314865 /nfs/dbraw/zinc/31/48/65/1183314865.db2.gz KSZJHJCYVFBEOR-HNNXBMFYSA-N 2 2 296.374 1.374 10 30 CDEELP C=CCCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001733726092 1183509980 /nfs/dbraw/zinc/50/99/80/1183509980.db2.gz SGDJIXCACMGSNC-UHFFFAOYSA-N 2 2 276.384 1.547 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001734009124 1183613183 /nfs/dbraw/zinc/61/31/83/1183613183.db2.gz QSYXPARFOPMOPU-STQMWFEESA-N 2 2 278.400 1.412 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734336884 1183737741 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C#CCCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878293103 728592885 /nfs/dbraw/zinc/59/28/85/728592885.db2.gz XJKCHNGCTVSSJT-INIZCTEOSA-N 2 2 291.439 1.594 10 30 CDEELP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C#N)c1O ZINC000926258915 728991135 /nfs/dbraw/zinc/99/11/35/728991135.db2.gz YDFJXVBILIWJSJ-OAHLLOKOSA-N 2 2 291.395 1.883 10 30 CDEELP N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931513733 729305674 /nfs/dbraw/zinc/30/56/74/729305674.db2.gz GNILZKGAMFPAJT-KRWDZBQOSA-N 2 2 294.358 1.627 10 30 CDEELP N#Cc1ccc([C@@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931513733 729305678 /nfs/dbraw/zinc/30/56/78/729305678.db2.gz GNILZKGAMFPAJT-KRWDZBQOSA-N 2 2 294.358 1.627 10 30 CDEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@](C)(CC)C1 ZINC000261775857 729900533 /nfs/dbraw/zinc/90/05/33/729900533.db2.gz OOQOTMBBAXNDQQ-ZBFHGGJFSA-N 2 2 296.459 1.405 10 30 CDEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@](C)(CC)C1 ZINC000261775857 729900534 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C=CCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000623835986 342026520 /nfs/dbraw/zinc/02/65/20/342026520.db2.gz GPJHUQVDKVXDFO-HNNXBMFYSA-N 2 2 276.380 1.408 10 30 CDEELP CCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304781860 370789632 /nfs/dbraw/zinc/78/96/32/370789632.db2.gz GMVQIOJYJBAWOB-UHFFFAOYSA-N 3 2 295.475 1.251 10 30 CDEELP N#Cc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000352838579 374370024 /nfs/dbraw/zinc/37/00/24/374370024.db2.gz FTCBHVQIXFUVTC-ZYHUDNBSSA-N 2 2 262.382 1.731 10 30 CDEELP N#Cc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000352838579 374370028 /nfs/dbraw/zinc/37/00/28/374370028.db2.gz FTCBHVQIXFUVTC-ZYHUDNBSSA-N 2 2 262.382 1.731 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371877 374443531 /nfs/dbraw/zinc/44/35/31/374443531.db2.gz GRDUTZDQGGACRI-CYBMUJFWSA-N 2 2 257.809 1.451 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371877 374443536 /nfs/dbraw/zinc/44/35/36/374443536.db2.gz GRDUTZDQGGACRI-CYBMUJFWSA-N 2 2 257.809 1.451 10 30 CDEELP C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000192041542 378173214 /nfs/dbraw/zinc/17/32/14/378173214.db2.gz DZIYCHGZMLEKQJ-GOSISDBHSA-N 2 2 284.403 1.692 10 30 CDEELP C(#Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000192041542 378173215 /nfs/dbraw/zinc/17/32/15/378173215.db2.gz DZIYCHGZMLEKQJ-GOSISDBHSA-N 2 2 284.403 1.692 10 30 CDEELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000305804694 149166606 /nfs/dbraw/zinc/16/66/06/149166606.db2.gz FYIZYOTYWSEQIJ-JSGCOSHPSA-N 2 2 291.370 1.805 10 30 CDEELP C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001664457020 1172855254 /nfs/dbraw/zinc/85/52/54/1172855254.db2.gz GLLVNYJSUFQGLF-LBPRGKRZSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001667017560 1173221963 /nfs/dbraw/zinc/22/19/63/1173221963.db2.gz AGBMEPKWWQDMFT-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846979 267122138 /nfs/dbraw/zinc/12/21/38/267122138.db2.gz NZHBRVKTTVQBQF-WBVHZDCISA-N 2 2 293.455 1.827 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846979 267122139 /nfs/dbraw/zinc/12/21/39/267122139.db2.gz NZHBRVKTTVQBQF-WBVHZDCISA-N 2 2 293.455 1.827 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367846979 267122141 /nfs/dbraw/zinc/12/21/41/267122141.db2.gz NZHBRVKTTVQBQF-WBVHZDCISA-N 2 2 293.455 1.827 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367846979 267122142 /nfs/dbraw/zinc/12/21/42/267122142.db2.gz NZHBRVKTTVQBQF-WBVHZDCISA-N 2 2 293.455 1.827 10 30 CDEELP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001671790722 1173711836 /nfs/dbraw/zinc/71/18/36/1173711836.db2.gz VSPRYLVPGFSHJQ-CZUORRHYSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001671790722 1173711832 /nfs/dbraw/zinc/71/18/32/1173711832.db2.gz VSPRYLVPGFSHJQ-CZUORRHYSA-N 2 2 288.395 1.050 10 30 CDEELP CC[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N[C@@H]1CC1(C)C ZINC000262287446 330004267 /nfs/dbraw/zinc/00/42/67/330004267.db2.gz XXVLWNZJLKPBQT-CYBMUJFWSA-N 2 2 296.459 1.451 10 30 CDEELP CC(C)(CCC#N)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423123020 330171325 /nfs/dbraw/zinc/17/13/25/330171325.db2.gz KRAFEARCZOMAKK-KGLIPLIRSA-N 2 2 265.401 1.673 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890564 482391143 /nfs/dbraw/zinc/39/11/43/482391143.db2.gz MXHKGKNLEMMSJU-MJBXVCDLSA-N 2 2 265.401 1.141 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890564 482391146 /nfs/dbraw/zinc/39/11/46/482391146.db2.gz MXHKGKNLEMMSJU-MJBXVCDLSA-N 2 2 265.401 1.141 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000677048410 482519582 /nfs/dbraw/zinc/51/95/82/482519582.db2.gz WEEZJNCLRWDTNT-HNNXBMFYSA-N 2 2 252.402 1.874 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691595166 1160712381 /nfs/dbraw/zinc/71/23/81/1160712381.db2.gz INITYOSHFWCIDP-QWHCGFSZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691595166 1160712387 /nfs/dbraw/zinc/71/23/87/1160712387.db2.gz INITYOSHFWCIDP-QWHCGFSZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+][C@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001486019151 1161448065 /nfs/dbraw/zinc/44/80/65/1161448065.db2.gz KRXHPQGTOMGSOE-AWEZNQCLSA-N 2 2 291.395 1.263 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001731787189 1182579650 /nfs/dbraw/zinc/57/96/50/1182579650.db2.gz LEPXKGBHJPMFOT-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001731787189 1182579654 /nfs/dbraw/zinc/57/96/54/1182579654.db2.gz LEPXKGBHJPMFOT-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001731787189 1182579657 /nfs/dbraw/zinc/57/96/57/1182579657.db2.gz LEPXKGBHJPMFOT-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001731787189 1182579660 /nfs/dbraw/zinc/57/96/60/1182579660.db2.gz LEPXKGBHJPMFOT-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP CCC[NH2+][C@@H](C#N)CCN1CC[NH+](CCC)CC1 ZINC000062368526 519984167 /nfs/dbraw/zinc/98/41/67/519984167.db2.gz WDSAFGFTBGLXDB-CQSZACIVSA-N 2 2 252.406 1.296 10 30 CDEELP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(F)ccc1C#N ZINC000069402147 522835237 /nfs/dbraw/zinc/83/52/37/522835237.db2.gz FQRXVXFJMFJAPH-UHFFFAOYSA-N 2 2 276.359 1.034 10 30 CDEELP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(F)ccc1C#N ZINC000069402147 522835247 /nfs/dbraw/zinc/83/52/47/522835247.db2.gz FQRXVXFJMFJAPH-UHFFFAOYSA-N 2 2 276.359 1.034 10 30 CDEELP C=CC[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352739335 527103084 /nfs/dbraw/zinc/10/30/84/527103084.db2.gz YBDYXYWNVISTJH-JTQLQIEISA-N 2 2 255.387 1.231 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000907778517 627832111 /nfs/dbraw/zinc/83/21/11/627832111.db2.gz LOSNXVKFGWOUIR-CQSZACIVSA-N 2 2 290.411 1.634 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001266988510 1159069765 /nfs/dbraw/zinc/06/97/65/1159069765.db2.gz BIBJELRTZDZLTP-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C#CC[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001772520067 1158570086 /nfs/dbraw/zinc/57/00/86/1158570086.db2.gz ZPGYYHYUNISUFL-CYBMUJFWSA-N 2 2 296.374 1.638 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670713960 1158716201 /nfs/dbraw/zinc/71/62/01/1158716201.db2.gz NHHAGBQEWANJQE-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670713960 1158716205 /nfs/dbraw/zinc/71/62/05/1158716205.db2.gz NHHAGBQEWANJQE-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482884142 1160639889 /nfs/dbraw/zinc/63/98/89/1160639889.db2.gz HQODRLHEILEUTJ-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001670876306 1161179199 /nfs/dbraw/zinc/17/91/99/1161179199.db2.gz MRJIHDUDNGSDQN-UHFFFAOYSA-N 2 2 262.357 1.157 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876732046 1165903415 /nfs/dbraw/zinc/90/34/15/1165903415.db2.gz WYBOTZPRLMLGDW-GHMZBOCLSA-N 2 2 282.775 1.586 10 30 CDEELP C=C(C)CC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001566727725 1168402116 /nfs/dbraw/zinc/40/21/16/1168402116.db2.gz HRMSDMTXNYFORW-OAHLLOKOSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001570608743 1170209698 /nfs/dbraw/zinc/20/96/98/1170209698.db2.gz SDVPDMGVJBJAKM-QWHCGFSZSA-N 2 2 278.400 1.791 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001570608743 1170209703 /nfs/dbraw/zinc/20/97/03/1170209703.db2.gz SDVPDMGVJBJAKM-QWHCGFSZSA-N 2 2 278.400 1.791 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001571143639 1170340760 /nfs/dbraw/zinc/34/07/60/1170340760.db2.gz FBZYVJNSXWRLCA-SHTZXODSSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)CCn1cc[nH+]c1 ZINC001665822449 1173067100 /nfs/dbraw/zinc/06/71/00/1173067100.db2.gz CHIRISIBYBYGBT-CYBMUJFWSA-N 2 2 264.373 1.334 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498699 1175483201 /nfs/dbraw/zinc/48/32/01/1175483201.db2.gz KYEPVGFTNLBDII-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498699 1175483204 /nfs/dbraw/zinc/48/32/04/1175483204.db2.gz KYEPVGFTNLBDII-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498699 1175483210 /nfs/dbraw/zinc/48/32/10/1175483210.db2.gz KYEPVGFTNLBDII-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498699 1175483213 /nfs/dbraw/zinc/48/32/13/1175483213.db2.gz KYEPVGFTNLBDII-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001690741381 1175561666 /nfs/dbraw/zinc/56/16/66/1175561666.db2.gz PGMCRVVXPPUCSA-GJZGRUSLSA-N 2 2 288.395 1.296 10 30 CDEELP C=CC[NH2+]C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001698664921 1175889891 /nfs/dbraw/zinc/88/98/91/1175889891.db2.gz SSSUOBXPXRXMHA-CJNGLKHVSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001699543411 1176468929 /nfs/dbraw/zinc/46/89/29/1176468929.db2.gz ZXPOPRJQRLRGFC-UHFFFAOYSA-N 2 2 270.764 1.143 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001700714146 1177088184 /nfs/dbraw/zinc/08/81/84/1177088184.db2.gz RCRZUNBCUUWARA-LSDHHAIUSA-N 2 2 290.411 1.588 10 30 CDEELP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001700902851 1177188459 /nfs/dbraw/zinc/18/84/59/1177188459.db2.gz UOCRMELDQSFRQW-KGLIPLIRSA-N 2 2 296.374 1.456 10 30 CDEELP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001707136797 1177955894 /nfs/dbraw/zinc/95/58/94/1177955894.db2.gz AJOVKOKZRMMJFD-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001707252226 1177983507 /nfs/dbraw/zinc/98/35/07/1177983507.db2.gz NTMKEUGXTZNNHI-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001707252226 1177983510 /nfs/dbraw/zinc/98/35/10/1177983510.db2.gz NTMKEUGXTZNNHI-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001707252226 1177983515 /nfs/dbraw/zinc/98/35/15/1177983515.db2.gz NTMKEUGXTZNNHI-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001707252226 1177983521 /nfs/dbraw/zinc/98/35/21/1177983521.db2.gz NTMKEUGXTZNNHI-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001713109829 1178373826 /nfs/dbraw/zinc/37/38/26/1178373826.db2.gz WZYOVQLXCCNUCW-OAHLLOKOSA-N 2 2 296.374 1.374 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001714286040 1179065708 /nfs/dbraw/zinc/06/57/08/1179065708.db2.gz HOTNHGOPNDUHNV-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CCCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001715307524 1179617203 /nfs/dbraw/zinc/61/72/03/1179617203.db2.gz ZKFPUSKCHKUFIT-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001715523672 1179699936 /nfs/dbraw/zinc/69/99/36/1179699936.db2.gz FMMPNJXQCPKRPP-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001715523672 1179699938 /nfs/dbraw/zinc/69/99/38/1179699938.db2.gz FMMPNJXQCPKRPP-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715744650 1179787095 /nfs/dbraw/zinc/78/70/95/1179787095.db2.gz SBYYUAYLODJMGC-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP CC#CC[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715983727 1179963752 /nfs/dbraw/zinc/96/37/52/1179963752.db2.gz POPZSNPIVUPQJQ-NSHDSACASA-N 2 2 270.336 1.294 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716665175 1180349213 /nfs/dbraw/zinc/34/92/13/1180349213.db2.gz IBNCFDVMTWBEIO-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716665175 1180349218 /nfs/dbraw/zinc/34/92/18/1180349218.db2.gz IBNCFDVMTWBEIO-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716665175 1180349224 /nfs/dbraw/zinc/34/92/24/1180349224.db2.gz IBNCFDVMTWBEIO-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716665175 1180349228 /nfs/dbraw/zinc/34/92/28/1180349228.db2.gz IBNCFDVMTWBEIO-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[NH+]1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001716799906 1180419762 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1.146 10 30 CDEELP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001731418667 1182374196 /nfs/dbraw/zinc/37/41/96/1182374196.db2.gz LFQFVQDIJCNBFB-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001731668861 1182510576 /nfs/dbraw/zinc/51/05/76/1182510576.db2.gz YOSOTKLVPYZXOR-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001731727094 1182535624 /nfs/dbraw/zinc/53/56/24/1182535624.db2.gz CTPANHJEOJAMDP-GFCCVEGCSA-N 2 2 286.379 1.927 10 30 CDEELP C=CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001731877934 1182645883 /nfs/dbraw/zinc/64/58/83/1182645883.db2.gz PKDCYJWZHNSEII-ZDUSSCGKSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001731877934 1182645889 /nfs/dbraw/zinc/64/58/89/1182645889.db2.gz PKDCYJWZHNSEII-ZDUSSCGKSA-N 2 2 288.395 1.212 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733215662 1183344353 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ZINC000923398464 732410376 /nfs/dbraw/zinc/41/03/76/732410376.db2.gz KCNRWMZDWXNHNK-HUUCEWRRSA-N 2 2 271.364 1.466 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000876926696 732437709 /nfs/dbraw/zinc/43/77/09/732437709.db2.gz CXPPEJVHOVCODE-LBPRGKRZSA-N 2 2 267.760 1.785 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863035002 732890998 /nfs/dbraw/zinc/89/09/98/732890998.db2.gz RHBGCHIPODNTQH-HOTGVXAUSA-N 2 2 289.423 1.217 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863035002 732891000 /nfs/dbraw/zinc/89/10/00/732891000.db2.gz RHBGCHIPODNTQH-HOTGVXAUSA-N 2 2 289.423 1.217 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000863035002 732891004 /nfs/dbraw/zinc/89/10/04/732891004.db2.gz RHBGCHIPODNTQH-HOTGVXAUSA-N 2 2 289.423 1.217 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000863035002 732891006 /nfs/dbraw/zinc/89/10/06/732891006.db2.gz RHBGCHIPODNTQH-HOTGVXAUSA-N 2 2 289.423 1.217 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC001641775149 1167136070 /nfs/dbraw/zinc/13/60/70/1167136070.db2.gz QUJXQIUQSIFYRC-CQSZACIVSA-N 2 2 252.402 1.567 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001566116853 1168239458 /nfs/dbraw/zinc/23/94/58/1168239458.db2.gz AZTTXBFNBIYOOZ-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001566116853 1168239465 /nfs/dbraw/zinc/23/94/65/1168239465.db2.gz AZTTXBFNBIYOOZ-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267809444 899784611 /nfs/dbraw/zinc/78/46/11/899784611.db2.gz LOLPGVDDIHJLNS-CQSZACIVSA-N 2 2 292.427 1.987 10 30 CDEELP C=CC[N@H+]1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481440625 900672431 /nfs/dbraw/zinc/67/24/31/900672431.db2.gz AKCKQRSAVLFTJC-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481440625 900672435 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C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001486126455 920753159 /nfs/dbraw/zinc/75/31/59/920753159.db2.gz DCXFSQSFGGRRCM-CHWSQXEVSA-N 2 2 276.384 1.118 10 30 CDEELP CC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC001486234934 920852957 /nfs/dbraw/zinc/85/29/57/920852957.db2.gz OZRLEBSCCDXJCI-AWEZNQCLSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC001486234934 920852977 /nfs/dbraw/zinc/85/29/77/920852977.db2.gz OZRLEBSCCDXJCI-AWEZNQCLSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274208302 931235233 /nfs/dbraw/zinc/23/52/33/931235233.db2.gz KNFPXDPJFLJSQV-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274208302 931235240 /nfs/dbraw/zinc/23/52/40/931235240.db2.gz KNFPXDPJFLJSQV-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001274818139 931581520 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PJARKUSIWGSYJL-OLZOCXBDSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001444088004 965733865 /nfs/dbraw/zinc/73/38/65/965733865.db2.gz LTPOPDBTAKXMDV-UHFFFAOYSA-N 2 2 296.802 1.654 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC001444337520 965797925 /nfs/dbraw/zinc/79/79/25/965797925.db2.gz JAIGTHOLGRCOSJ-MRXNPFEDSA-N 2 2 289.423 1.171 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001444337520 965797948 /nfs/dbraw/zinc/79/79/48/965797948.db2.gz JAIGTHOLGRCOSJ-MRXNPFEDSA-N 2 2 289.423 1.171 10 30 CDEELP C#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC001444337520 965797965 /nfs/dbraw/zinc/79/79/65/965797965.db2.gz JAIGTHOLGRCOSJ-MRXNPFEDSA-N 2 2 289.423 1.171 10 30 CDEELP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC001444337520 965797988 /nfs/dbraw/zinc/79/79/88/965797988.db2.gz JAIGTHOLGRCOSJ-MRXNPFEDSA-N 2 2 289.423 1.171 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001569611422 1169936204 /nfs/dbraw/zinc/93/62/04/1169936204.db2.gz XISBOGFPYAQFKS-OAHLLOKOSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001496905972 973139849 /nfs/dbraw/zinc/13/98/49/973139849.db2.gz AZEYDNNZLOCTNT-STQMWFEESA-N 2 2 276.384 1.403 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CC1 ZINC001499254573 974223104 /nfs/dbraw/zinc/22/31/04/974223104.db2.gz OXBLDXKIVRPWQO-UKOWJOKBSA-N 2 2 295.814 1.075 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CC1 ZINC001499254573 974223114 /nfs/dbraw/zinc/22/31/14/974223114.db2.gz OXBLDXKIVRPWQO-UKOWJOKBSA-N 2 2 295.814 1.075 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500552520 974448948 /nfs/dbraw/zinc/44/89/48/974448948.db2.gz GMJYCPQXUNXVHI-MRXNPFEDSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500552520 974448951 /nfs/dbraw/zinc/44/89/51/974448951.db2.gz GMJYCPQXUNXVHI-MRXNPFEDSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001505439994 974879886 /nfs/dbraw/zinc/87/98/86/974879886.db2.gz KCYSGOZYOBGIBG-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001505439994 974879888 /nfs/dbraw/zinc/87/98/88/974879888.db2.gz KCYSGOZYOBGIBG-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C#CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001675135235 1174079453 /nfs/dbraw/zinc/07/94/53/1174079453.db2.gz NPYOJRYAZJAJDL-CQSZACIVSA-N 2 2 276.384 1.048 10 30 CDEELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCCC#N)C2)CC1 ZINC000594287493 342887554 /nfs/dbraw/zinc/88/75/54/342887554.db2.gz DXSYCQLFQWMIIK-AWEZNQCLSA-N 2 2 292.427 1.355 10 30 CDEELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCCC#N)C2)CC1 ZINC000594287493 342887555 /nfs/dbraw/zinc/88/75/55/342887555.db2.gz DXSYCQLFQWMIIK-AWEZNQCLSA-N 2 2 292.427 1.355 10 30 CDEELP N#CCc1cc[nH+]c(NCc2c[nH+]c3n2CCC3)c1 ZINC000596025261 343215611 /nfs/dbraw/zinc/21/56/11/343215611.db2.gz SJJUIJBIETXOIA-UHFFFAOYSA-N 2 2 253.309 1.902 10 30 CDEELP N#CC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000596651284 343371126 /nfs/dbraw/zinc/37/11/26/343371126.db2.gz LUPPPGDAVKVBAI-GJZGRUSLSA-N 2 2 277.412 1.817 10 30 CDEELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809514 346441012 /nfs/dbraw/zinc/44/10/12/346441012.db2.gz DVDZZZAKORASID-CJNGLKHVSA-N 2 2 299.422 1.462 10 30 CDEELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809514 346441013 /nfs/dbraw/zinc/44/10/13/346441013.db2.gz DVDZZZAKORASID-CJNGLKHVSA-N 2 2 299.422 1.462 10 30 CDEELP C[N@@H+](Cc1ccnc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000610993439 346564471 /nfs/dbraw/zinc/56/44/71/346564471.db2.gz SKLCVWXLBCAICA-AWEZNQCLSA-N 2 2 258.369 1.727 10 30 CDEELP C[N@H+](Cc1ccnc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000610993439 346564475 /nfs/dbraw/zinc/56/44/75/346564475.db2.gz SKLCVWXLBCAICA-AWEZNQCLSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1ccnc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000610993439 346564478 /nfs/dbraw/zinc/56/44/78/346564478.db2.gz SKLCVWXLBCAICA-AWEZNQCLSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1ccnc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000610993439 346564480 /nfs/dbraw/zinc/56/44/80/346564480.db2.gz SKLCVWXLBCAICA-AWEZNQCLSA-N 2 2 258.369 1.727 10 30 CDEELP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620587 347675732 /nfs/dbraw/zinc/67/57/32/347675732.db2.gz UPZCHBQRRRESMY-ZNMIVQPWSA-N 2 2 279.428 1.661 10 30 CDEELP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620587 347675735 /nfs/dbraw/zinc/67/57/35/347675735.db2.gz UPZCHBQRRRESMY-ZNMIVQPWSA-N 2 2 279.428 1.661 10 30 CDEELP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CC2 ZINC000453274437 283198762 /nfs/dbraw/zinc/19/87/62/283198762.db2.gz WGIZOBBOWTVEOK-SJLPKXTDSA-N 2 2 299.418 1.982 10 30 CDEELP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CC2 ZINC000453274437 283198766 /nfs/dbraw/zinc/19/87/66/283198766.db2.gz WGIZOBBOWTVEOK-SJLPKXTDSA-N 2 2 299.418 1.982 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001661187602 1172349924 /nfs/dbraw/zinc/34/99/24/1172349924.db2.gz LLKITEASJAEHQR-HNNXBMFYSA-N 2 2 290.411 1.413 10 30 CDEELP Cc1nc(N2CC[NH+](C[C@H](C)CCC#N)CC2)cc[nH+]1 ZINC000618887867 369482220 /nfs/dbraw/zinc/48/22/20/369482220.db2.gz MQVGHAMKSJOAMB-CYBMUJFWSA-N 2 2 273.384 1.847 10 30 CDEELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355124836 373822351 /nfs/dbraw/zinc/82/23/51/373822351.db2.gz LMCVQAOFWBVRHO-MRXNPFEDSA-N 2 2 299.422 1.560 10 30 CDEELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355124836 373822359 /nfs/dbraw/zinc/82/23/59/373822359.db2.gz LMCVQAOFWBVRHO-MRXNPFEDSA-N 2 2 299.422 1.560 10 30 CDEELP C=CCN1CC[C@H]([NH+]2CCC(CC)([NH+](C)C)CC2)C1=O ZINC000640016098 373993128 /nfs/dbraw/zinc/99/31/28/373993128.db2.gz UBFXMMWKZKYZFC-AWEZNQCLSA-N 2 2 279.428 1.580 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001662732675 1172586559 /nfs/dbraw/zinc/58/65/59/1172586559.db2.gz GBSLEBLHDCUDJY-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C[C@@H](C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000346252418 391344802 /nfs/dbraw/zinc/34/48/02/391344802.db2.gz SNCIQTIYUXYMJP-AWEZNQCLSA-N 2 2 292.427 1.213 10 30 CDEELP COc1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccc1C#N ZINC000423119388 392958840 /nfs/dbraw/zinc/95/88/40/392958840.db2.gz CFVHTOBFOMGWFA-DOMZBBRYSA-N 2 2 289.379 1.423 10 30 CDEELP C=CC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662658826 413263444 /nfs/dbraw/zinc/26/34/44/413263444.db2.gz GGNWFSYXUHXKBV-AWEZNQCLSA-N 2 2 262.357 1.088 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657352403 414204674 /nfs/dbraw/zinc/20/46/74/414204674.db2.gz IAGUZHRFFXXVPW-UHFFFAOYSA-N 2 2 274.412 1.959 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@@H+](C)CCOC ZINC000662090136 414508588 /nfs/dbraw/zinc/50/85/88/414508588.db2.gz KGXRGLXEYKSGJQ-QLFBSQMISA-N 2 2 268.401 1.109 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@H+](C)CCOC ZINC000662090136 414508590 /nfs/dbraw/zinc/50/85/90/414508590.db2.gz KGXRGLXEYKSGJQ-QLFBSQMISA-N 2 2 268.401 1.109 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C[NH+](C)CCOC ZINC000662090136 414508591 /nfs/dbraw/zinc/50/85/91/414508591.db2.gz KGXRGLXEYKSGJQ-QLFBSQMISA-N 2 2 268.401 1.109 10 30 CDEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C[NH+](C)CCOC ZINC000662090136 414508593 /nfs/dbraw/zinc/50/85/93/414508593.db2.gz KGXRGLXEYKSGJQ-QLFBSQMISA-N 2 2 268.401 1.109 10 30 CDEELP C[NH+](C)C1CC[NH+](CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045311132 175356126 /nfs/dbraw/zinc/35/61/26/175356126.db2.gz NRRWTICRNRMKLD-CQSZACIVSA-N 3 2 252.406 1.424 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249860577 261258803 /nfs/dbraw/zinc/25/88/03/261258803.db2.gz FYKIMGMTYLUJLL-KBPBESRZSA-N 2 2 288.395 1.506 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249860577 261258804 /nfs/dbraw/zinc/25/88/04/261258804.db2.gz FYKIMGMTYLUJLL-KBPBESRZSA-N 2 2 288.395 1.506 10 30 CDEELP COCC1(CNc2cc(C)[nH+]cc2C#N)CC[NH2+]CC1 ZINC000399073924 270367757 /nfs/dbraw/zinc/36/77/57/270367757.db2.gz MVQYYUONHKRQIL-UHFFFAOYSA-N 2 2 274.368 1.112 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001669330517 1173538341 /nfs/dbraw/zinc/53/83/41/1173538341.db2.gz BSZSEOPMOSCBNZ-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671912231 1173721775 /nfs/dbraw/zinc/72/17/75/1173721775.db2.gz JTVFHAKTUBNMQH-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671912231 1173721780 /nfs/dbraw/zinc/72/17/80/1173721780.db2.gz JTVFHAKTUBNMQH-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262421688 330009234 /nfs/dbraw/zinc/00/92/34/330009234.db2.gz BENBSHPFBGBXTE-UONOGXRCSA-N 2 2 294.443 1.157 10 30 CDEELP C[C@@H]1C[NH+]=C(NCc2cccc(-n3cc[nH+]c3)c2)N1 ZINC000262472068 330015581 /nfs/dbraw/zinc/01/55/81/330015581.db2.gz BHJQRIDKFAKNFH-LLVKDONJSA-N 2 2 255.325 1.310 10 30 CDEELP CC[C@H]1C[N@H+](CCNC(=[NH2+])N2CCC[C@H](C)C2)CCO1 ZINC000262830734 330034786 /nfs/dbraw/zinc/03/47/86/330034786.db2.gz ZTMGPRZXMGNJMT-KBPBESRZSA-N 2 2 282.432 1.144 10 30 CDEELP CC[C@H]1C[N@@H+](CCNC(=[NH2+])N2CCC[C@H](C)C2)CCO1 ZINC000262830734 330034788 /nfs/dbraw/zinc/03/47/88/330034788.db2.gz ZTMGPRZXMGNJMT-KBPBESRZSA-N 2 2 282.432 1.144 10 30 CDEELP C=CC[NH+]1CCC(N[C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422855035 330157935 /nfs/dbraw/zinc/15/79/35/330157935.db2.gz BWEKPEVBWNBLKD-LBPRGKRZSA-N 2 2 260.385 1.795 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422855035 330157936 /nfs/dbraw/zinc/15/79/36/330157936.db2.gz BWEKPEVBWNBLKD-LBPRGKRZSA-N 3 2 260.385 1.795 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000680583501 482514282 /nfs/dbraw/zinc/51/42/82/482514282.db2.gz ZSOZAQQWRIFDRB-ZDUSSCGKSA-N 2 2 258.369 1.709 10 30 CDEELP CC(C)N[C@@H](C#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000062369292 519733494 /nfs/dbraw/zinc/73/34/94/519733494.db2.gz DBLXEPDYMHLFMF-CYBMUJFWSA-N 2 2 252.406 1.293 10 30 CDEELP CC(C)N[C@@H](C#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000062369292 519733495 /nfs/dbraw/zinc/73/34/95/519733495.db2.gz DBLXEPDYMHLFMF-CYBMUJFWSA-N 2 2 252.406 1.293 10 30 CDEELP C[NH+](C)CCN1CC[NH+]([C@@H]2CCCC[C@H]2C#N)CC1 ZINC000061644285 521764788 /nfs/dbraw/zinc/76/47/88/521764788.db2.gz HWIOHHYHRSTHBS-LSDHHAIUSA-N 2 2 264.417 1.248 10 30 CDEELP COc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1C#CC[NH3+] ZINC000049608495 524035526 /nfs/dbraw/zinc/03/55/26/524035526.db2.gz PPYZSCQKXIIWQJ-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP COc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1C#CC[NH3+] ZINC000049608495 524035530 /nfs/dbraw/zinc/03/55/30/524035530.db2.gz PPYZSCQKXIIWQJ-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP C=C(C[NH+](C)C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001637015759 1166714863 /nfs/dbraw/zinc/71/48/63/1166714863.db2.gz KKUNSGVOIGCXQF-UHFFFAOYSA-N 2 2 262.357 1.512 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC001641775149 1167136067 /nfs/dbraw/zinc/13/60/67/1167136067.db2.gz QUJXQIUQSIFYRC-CQSZACIVSA-N 2 2 252.402 1.567 10 30 CDEELP C#CC[N@H+](CC)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001566554886 1168334160 /nfs/dbraw/zinc/33/41/60/1168334160.db2.gz JERWSQORCUVFQY-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C#CC[N@@H+](CC)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001566554886 1168334166 /nfs/dbraw/zinc/33/41/66/1168334166.db2.gz JERWSQORCUVFQY-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001690391467 1175459490 /nfs/dbraw/zinc/45/94/90/1175459490.db2.gz BBRQIBODOWJSLB-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001690391467 1175459493 /nfs/dbraw/zinc/45/94/93/1175459493.db2.gz BBRQIBODOWJSLB-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001692131946 1175680718 /nfs/dbraw/zinc/68/07/18/1175680718.db2.gz MIGRTYATMFFQEV-CQSZACIVSA-N 2 2 288.395 1.336 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001698846924 1175961878 /nfs/dbraw/zinc/96/18/78/1175961878.db2.gz CEKLYLZPLLXRTJ-CQSZACIVSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699837954 1176651613 /nfs/dbraw/zinc/65/16/13/1176651613.db2.gz RYPIBVYLTBBAGF-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001699837954 1176651619 /nfs/dbraw/zinc/65/16/19/1176651619.db2.gz RYPIBVYLTBBAGF-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001700065885 1176738356 /nfs/dbraw/zinc/73/83/56/1176738356.db2.gz NQFADKZQKRIRJM-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001700065885 1176738365 /nfs/dbraw/zinc/73/83/65/1176738365.db2.gz NQFADKZQKRIRJM-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700465315 1176954728 /nfs/dbraw/zinc/95/47/28/1176954728.db2.gz CLTAKLUKBSPKGL-LBPRGKRZSA-N 2 2 284.363 1.636 10 30 CDEELP C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700465315 1176954733 /nfs/dbraw/zinc/95/47/33/1176954733.db2.gz CLTAKLUKBSPKGL-LBPRGKRZSA-N 2 2 284.363 1.636 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001713440617 1178561015 /nfs/dbraw/zinc/56/10/15/1178561015.db2.gz XXXVSCJQAIZBFM-AWEZNQCLSA-N 2 2 288.395 1.336 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001713440617 1178561020 /nfs/dbraw/zinc/56/10/20/1178561020.db2.gz XXXVSCJQAIZBFM-AWEZNQCLSA-N 2 2 288.395 1.336 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714092546 1178968880 /nfs/dbraw/zinc/96/88/80/1178968880.db2.gz XNFPKTVFNCBAJU-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001715457165 1179672483 /nfs/dbraw/zinc/67/24/83/1179672483.db2.gz MKMHSHRHSWKOSU-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001715457165 1179672485 /nfs/dbraw/zinc/67/24/85/1179672485.db2.gz MKMHSHRHSWKOSU-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001716037699 1180012632 /nfs/dbraw/zinc/01/26/32/1180012632.db2.gz LKYSPCUYYIHXBZ-AWEZNQCLSA-N 2 2 278.400 1.676 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001716037699 1180012641 /nfs/dbraw/zinc/01/26/41/1180012641.db2.gz LKYSPCUYYIHXBZ-AWEZNQCLSA-N 2 2 278.400 1.676 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716047347 1180020840 /nfs/dbraw/zinc/02/08/40/1180020840.db2.gz ZXBKKIHZFOKWCW-STQMWFEESA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716047347 1180020841 /nfs/dbraw/zinc/02/08/41/1180020841.db2.gz ZXBKKIHZFOKWCW-STQMWFEESA-N 2 2 278.400 1.743 10 30 CDEELP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001716967233 1180484103 /nfs/dbraw/zinc/48/41/03/1180484103.db2.gz RNJMVMOEODWCKR-ZIAGYGMSSA-N 2 2 296.374 1.408 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001717375351 1180636206 /nfs/dbraw/zinc/63/62/06/1180636206.db2.gz XAMXONZSTIHGCB-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001724102545 1181635741 /nfs/dbraw/zinc/63/57/41/1181635741.db2.gz KJZVPPPXHAGISX-ZDUSSCGKSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001725099362 1181860582 /nfs/dbraw/zinc/86/05/82/1181860582.db2.gz DGVWSBFJKBAVOV-UONOGXRCSA-N 2 2 278.400 1.722 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001725516053 1182032337 /nfs/dbraw/zinc/03/23/37/1182032337.db2.gz PUDUYZSZJOPCSV-CQSZACIVSA-N 2 2 292.427 1.755 10 30 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CC(C)CN(CC[NH+](C)C)C[C@]([NH3+])(C#N)C1CC1 ZINC000069079222 519717029 /nfs/dbraw/zinc/71/70/29/519717029.db2.gz AHOGHXCGEDDEDI-CQSZACIVSA-N 2 2 252.406 1.137 10 30 CDEELP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941187434 613225854 /nfs/dbraw/zinc/22/58/54/613225854.db2.gz XARAJVMHYGCVDJ-CQSZACIVSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941187434 613225856 /nfs/dbraw/zinc/22/58/56/613225856.db2.gz XARAJVMHYGCVDJ-CQSZACIVSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001670483694 1158617963 /nfs/dbraw/zinc/61/79/63/1158617963.db2.gz BUMKFWFRGDHSOW-HNNXBMFYSA-N 2 2 282.347 1.294 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001566863908 1168449320 /nfs/dbraw/zinc/44/93/20/1168449320.db2.gz PYTREAPHURRBPU-BETUJISGSA-N 2 2 262.357 1.086 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001569378567 1169830701 /nfs/dbraw/zinc/83/07/01/1169830701.db2.gz VBDOTWGSIRCTEB-HNNXBMFYSA-N 2 2 290.411 1.738 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001569378567 1169830715 /nfs/dbraw/zinc/83/07/15/1169830715.db2.gz VBDOTWGSIRCTEB-HNNXBMFYSA-N 2 2 290.411 1.738 10 30 CDEELP C#CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001569840559 1170014564 /nfs/dbraw/zinc/01/45/64/1170014564.db2.gz CPSLMESXJGSFGS-OCCSQVGLSA-N 2 2 296.374 1.494 10 30 CDEELP C#CC[NH2+]Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001666340938 1173127391 /nfs/dbraw/zinc/12/73/91/1173127391.db2.gz FPJGOOZZYUJEBU-UHFFFAOYSA-N 2 2 296.374 1.312 10 30 CDEELP C#CC[NH2+]C/C=C/CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001668872433 1173474723 /nfs/dbraw/zinc/47/47/23/1173474723.db2.gz IRCALRVPOOKIFT-LLYBFZRZSA-N 2 2 288.395 1.366 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001690394351 1175459707 /nfs/dbraw/zinc/45/97/07/1175459707.db2.gz XZSRMNTYDADDGJ-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001690394351 1175459713 /nfs/dbraw/zinc/45/97/13/1175459713.db2.gz XZSRMNTYDADDGJ-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001691844956 1175635021 /nfs/dbraw/zinc/63/50/21/1175635021.db2.gz PPNOKZYKYXKRBB-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001698605007 1175869080 /nfs/dbraw/zinc/86/90/80/1175869080.db2.gz SPFHGJOVDHXEAN-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP C=C(Cl)C[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001699284195 1176196164 /nfs/dbraw/zinc/19/61/64/1176196164.db2.gz IGUAPSZRQFOYER-ARJAWSKDSA-N 2 2 282.775 1.206 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001699488819 1176442730 /nfs/dbraw/zinc/44/27/30/1176442730.db2.gz IIBQWRKFVYBSKL-CABCVRRESA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001700104615 1176747419 /nfs/dbraw/zinc/74/74/19/1176747419.db2.gz UENCSLQAMIDRGJ-JOCQHMNTSA-N 2 2 276.384 1.403 10 30 CDEELP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001713681547 1178707320 /nfs/dbraw/zinc/70/73/20/1178707320.db2.gz IBDAFICUWHFDMA-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714564900 1179221245 /nfs/dbraw/zinc/22/12/45/1179221245.db2.gz PVRIKYBTMKFJOZ-CQSZACIVSA-N 2 2 278.400 1.848 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714564900 1179221252 /nfs/dbraw/zinc/22/12/52/1179221252.db2.gz PVRIKYBTMKFJOZ-CQSZACIVSA-N 2 2 278.400 1.848 10 30 CDEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001715390336 1179654866 /nfs/dbraw/zinc/65/48/66/1179654866.db2.gz GRZGSONDJGMIAH-ZDUSSCGKSA-N 2 2 278.400 1.567 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001715842988 1179864058 /nfs/dbraw/zinc/86/40/58/1179864058.db2.gz ZQGNWUQSUDMUJI-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001715842988 1179864024 /nfs/dbraw/zinc/86/40/24/1179864024.db2.gz ZQGNWUQSUDMUJI-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001715842988 1179864037 /nfs/dbraw/zinc/86/40/37/1179864037.db2.gz ZQGNWUQSUDMUJI-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001715842988 1179864047 /nfs/dbraw/zinc/86/40/47/1179864047.db2.gz ZQGNWUQSUDMUJI-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)CC[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1 ZINC001716258469 1180123340 /nfs/dbraw/zinc/12/33/40/1180123340.db2.gz ZUJMGVUMGVTMGB-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001716624160 1180312203 /nfs/dbraw/zinc/31/22/03/1180312203.db2.gz QQRGNGZUFFDFNS-IUODEOHRSA-N 2 2 288.395 1.096 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001716624160 1180312210 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CDEELP CC#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001724836008 1181769244 /nfs/dbraw/zinc/76/92/44/1181769244.db2.gz LCVMOOVFWORDKX-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001725229610 1181927953 /nfs/dbraw/zinc/92/79/53/1181927953.db2.gz NKCKMLRGTDGLTR-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725290082 1181954007 /nfs/dbraw/zinc/95/40/07/1181954007.db2.gz OSDJNPNCGKNIQR-UONOGXRCSA-N 2 2 288.395 1.294 10 30 CDEELP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725290082 1181954014 /nfs/dbraw/zinc/95/40/14/1181954014.db2.gz OSDJNPNCGKNIQR-UONOGXRCSA-N 2 2 288.395 1.294 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001725497117 1182025395 /nfs/dbraw/zinc/02/53/95/1182025395.db2.gz CBTOMUAFVOPDCP-ZDUSSCGKSA-N 2 2 286.379 1.961 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001731491676 1182417273 /nfs/dbraw/zinc/41/72/73/1182417273.db2.gz RZXIWRWOXRAPBG-BETUJISGSA-N 2 2 276.384 1.166 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001732705468 1183093749 /nfs/dbraw/zinc/09/37/49/1183093749.db2.gz FCAVDGHOCRTXAQ-CYBMUJFWSA-N 2 2 290.411 1.434 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732965015 1183208696 /nfs/dbraw/zinc/20/86/96/1183208696.db2.gz FSFPDHRLLLWXET-CYBMUJFWSA-N 2 2 273.380 1.738 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001733938508 1183574920 /nfs/dbraw/zinc/57/49/20/1183574920.db2.gz IDHWTCHOPZCTHT-AWEZNQCLSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001733938508 1183574921 /nfs/dbraw/zinc/57/49/21/1183574921.db2.gz IDHWTCHOPZCTHT-AWEZNQCLSA-N 2 2 290.411 1.760 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001618813245 1165645016 /nfs/dbraw/zinc/64/50/16/1165645016.db2.gz DYYVXOOJHZTBTI-ZDUSSCGKSA-N 2 2 264.373 1.410 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001618813245 1165645020 /nfs/dbraw/zinc/64/50/20/1165645020.db2.gz DYYVXOOJHZTBTI-ZDUSSCGKSA-N 2 2 264.373 1.410 10 30 CDEELP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001565904775 1168198917 /nfs/dbraw/zinc/19/89/17/1168198917.db2.gz QKDIFYXGTJVUQN-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566965622 1168483289 /nfs/dbraw/zinc/48/32/89/1168483289.db2.gz KUSSVXHLFYRXQA-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566965622 1168483294 /nfs/dbraw/zinc/48/32/94/1168483294.db2.gz KUSSVXHLFYRXQA-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001567196945 1168616734 /nfs/dbraw/zinc/61/67/34/1168616734.db2.gz SZKNQBDBORHICU-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567409798 1168739636 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C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001276586302 940384972 /nfs/dbraw/zinc/38/49/72/940384972.db2.gz GPKKCXCEOKZOPF-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001276586302 940384974 /nfs/dbraw/zinc/38/49/74/940384974.db2.gz GPKKCXCEOKZOPF-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001276586302 940384975 /nfs/dbraw/zinc/38/49/75/940384975.db2.gz GPKKCXCEOKZOPF-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001276586302 940384978 /nfs/dbraw/zinc/38/49/78/940384978.db2.gz GPKKCXCEOKZOPF-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001276929764 941706148 /nfs/dbraw/zinc/70/61/48/941706148.db2.gz ANZVOKXMSPZZRB-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001276929764 941706150 /nfs/dbraw/zinc/70/61/50/941706150.db2.gz ANZVOKXMSPZZRB-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001281474703 942580930 /nfs/dbraw/zinc/58/09/30/942580930.db2.gz CSLBACZCZIAASC-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001282220004 942680061 /nfs/dbraw/zinc/68/00/61/942680061.db2.gz NLNSVVQIJRZWRJ-OLZOCXBDSA-N 2 2 278.400 1.412 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001282484412 942721855 /nfs/dbraw/zinc/72/18/55/942721855.db2.gz DCQDRMOEWWBFGF-AWEZNQCLSA-N 2 2 292.427 1.755 10 30 CDEELP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001282484412 942721860 /nfs/dbraw/zinc/72/18/60/942721860.db2.gz DCQDRMOEWWBFGF-AWEZNQCLSA-N 2 2 292.427 1.755 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001284244996 943130351 /nfs/dbraw/zinc/13/03/51/943130351.db2.gz RYLJGUPBPQFUGS-KGLIPLIRSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001264494102 944142002 /nfs/dbraw/zinc/14/20/02/944142002.db2.gz LYFNVGROKXTIRK-UONOGXRCSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265089818 944225629 /nfs/dbraw/zinc/22/56/29/944225629.db2.gz RVNKGCRHJWDAPH-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266120066 944693667 /nfs/dbraw/zinc/69/36/67/944693667.db2.gz SBMHQYKKEQUOFS-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266120066 944693676 /nfs/dbraw/zinc/69/36/76/944693676.db2.gz SBMHQYKKEQUOFS-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001480030427 971545979 /nfs/dbraw/zinc/54/59/79/971545979.db2.gz LSZGJTMNWQLJJL-HIFRSBDPSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001325469372 953915688 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C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001423589220 956884444 /nfs/dbraw/zinc/88/44/44/956884444.db2.gz SRZDDDROFHSEJK-IUODEOHRSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001423589220 956884463 /nfs/dbraw/zinc/88/44/63/956884463.db2.gz SRZDDDROFHSEJK-IUODEOHRSA-N 2 2 299.846 1.661 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317082147 957255926 /nfs/dbraw/zinc/25/59/26/957255926.db2.gz WKRLSTXYFBJWCU-MGPQQGTHSA-N 2 2 288.395 1.258 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001317190690 957332735 /nfs/dbraw/zinc/33/27/35/957332735.db2.gz QGELXPKWRCYEEG-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001317190690 957332745 /nfs/dbraw/zinc/33/27/45/957332745.db2.gz QGELXPKWRCYEEG-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001367009699 957334158 /nfs/dbraw/zinc/33/41/58/957334158.db2.gz WCVSODWWWVDHGE-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001367009699 957334168 /nfs/dbraw/zinc/33/41/68/957334168.db2.gz WCVSODWWWVDHGE-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001367009699 957334179 /nfs/dbraw/zinc/33/41/79/957334179.db2.gz WCVSODWWWVDHGE-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001367009699 957334188 /nfs/dbraw/zinc/33/41/88/957334188.db2.gz WCVSODWWWVDHGE-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001318535543 958161698 /nfs/dbraw/zinc/16/16/98/958161698.db2.gz BYLHZACZLXNEMI-JHJVBQTASA-N 2 2 274.368 1.021 10 30 CDEELP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001318535543 958161717 /nfs/dbraw/zinc/16/17/17/958161717.db2.gz BYLHZACZLXNEMI-JHJVBQTASA-N 2 2 274.368 1.021 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001319708532 958695302 /nfs/dbraw/zinc/69/53/02/958695302.db2.gz DDZOSBJJXUSAOU-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322247702 960149259 /nfs/dbraw/zinc/14/92/59/960149259.db2.gz HOBMGNUVRPAFBV-MGPQQGTHSA-N 2 2 290.411 1.536 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322247702 960149266 /nfs/dbraw/zinc/14/92/66/960149266.db2.gz HOBMGNUVRPAFBV-MGPQQGTHSA-N 2 2 290.411 1.536 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496715721 973064028 /nfs/dbraw/zinc/06/40/28/973064028.db2.gz RNYSNHYYMFNHJH-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496715721 973064033 /nfs/dbraw/zinc/06/40/33/973064033.db2.gz RNYSNHYYMFNHJH-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496715721 973064039 /nfs/dbraw/zinc/06/40/39/973064039.db2.gz RNYSNHYYMFNHJH-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496715721 973064046 /nfs/dbraw/zinc/06/40/46/973064046.db2.gz RNYSNHYYMFNHJH-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001496900424 973137391 /nfs/dbraw/zinc/13/73/91/973137391.db2.gz YTNGOZBTTIQEEO-HUUCEWRRSA-N 2 2 288.395 1.171 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497837603 973545277 /nfs/dbraw/zinc/54/52/77/973545277.db2.gz POPZSNPIVUPQJQ-LLVKDONJSA-N 2 2 270.336 1.294 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505722145 974974168 /nfs/dbraw/zinc/97/41/68/974974168.db2.gz YZQZDTHSRUMDLA-NWDGAFQWSA-N 2 2 264.373 1.401 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001398615297 976075414 /nfs/dbraw/zinc/07/54/14/976075414.db2.gz RUCSLLPKXODCCB-UPJWGTAASA-N 2 2 296.802 1.824 10 30 CDEELP CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591665480 342641145 /nfs/dbraw/zinc/64/11/45/342641145.db2.gz ZWYVCUAWWWNFQW-MCIONIFRSA-N 2 2 265.401 1.504 10 30 CDEELP CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000591665480 342641146 /nfs/dbraw/zinc/64/11/46/342641146.db2.gz ZWYVCUAWWWNFQW-MCIONIFRSA-N 2 2 265.401 1.504 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000600719406 342244679 /nfs/dbraw/zinc/24/46/79/342244679.db2.gz SMSAAKGIOJMPGF-CQSZACIVSA-N 2 2 288.395 1.406 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000600734430 342246126 /nfs/dbraw/zinc/24/61/26/342246126.db2.gz PIBCGYFOAZMYSF-LSDHHAIUSA-N 2 2 277.412 1.648 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000600734430 342246127 /nfs/dbraw/zinc/24/61/27/342246127.db2.gz PIBCGYFOAZMYSF-LSDHHAIUSA-N 2 2 277.412 1.648 10 30 CDEELP N#CC[C@@]1(O)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597157364 343462910 /nfs/dbraw/zinc/46/29/10/343462910.db2.gz PBLUBBZOYJKAHY-OAHLLOKOSA-N 2 2 283.335 1.118 10 30 CDEELP N#CC[C@@]1(O)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597157364 343462912 /nfs/dbraw/zinc/46/29/12/343462912.db2.gz PBLUBBZOYJKAHY-OAHLLOKOSA-N 2 2 283.335 1.118 10 30 CDEELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1C#N)C2 ZINC000600742552 349878734 /nfs/dbraw/zinc/87/87/34/349878734.db2.gz DRAWHUSJLKPCET-IYBDPMFKSA-N 2 2 255.365 1.990 10 30 CDEELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1C#N)C2 ZINC000600742552 349878736 /nfs/dbraw/zinc/87/87/36/349878736.db2.gz DRAWHUSJLKPCET-IYBDPMFKSA-N 2 2 255.365 1.990 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131411193 369064539 /nfs/dbraw/zinc/06/45/39/369064539.db2.gz MNOBMKOHKJVNLF-INIZCTEOSA-N 2 2 278.396 1.654 10 30 CDEELP N#Cc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000194161624 372089110 /nfs/dbraw/zinc/08/91/10/372089110.db2.gz HQLMPLOLMVMFLL-INIZCTEOSA-N 2 2 273.380 1.495 10 30 CDEELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182565 373946153 /nfs/dbraw/zinc/94/61/53/373946153.db2.gz COLARZJORUPLLC-WFASDCNBSA-N 2 2 259.353 1.477 10 30 CDEELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182565 373946165 /nfs/dbraw/zinc/94/61/65/373946165.db2.gz COLARZJORUPLLC-WFASDCNBSA-N 2 2 259.353 1.477 10 30 CDEELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986669 374366762 /nfs/dbraw/zinc/36/67/62/374366762.db2.gz DCXJNKNWJNTAOL-WFASDCNBSA-N 2 2 259.353 1.525 10 30 CDEELP C=CC(=O)NCC(C)(C)[NH+]1CCC([NH+](C)C)CC1 ZINC000328600151 374715951 /nfs/dbraw/zinc/71/59/51/374715951.db2.gz WBFDJQCGWQKTIY-UHFFFAOYSA-N 2 2 253.390 1.934 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123572195 375846256 /nfs/dbraw/zinc/84/62/56/375846256.db2.gz AOKZQNIXUKJQHW-YCPHGPKFSA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123572195 375846258 /nfs/dbraw/zinc/84/62/58/375846258.db2.gz AOKZQNIXUKJQHW-YCPHGPKFSA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123572195 375846264 /nfs/dbraw/zinc/84/62/64/375846264.db2.gz AOKZQNIXUKJQHW-YCPHGPKFSA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123572195 375846269 /nfs/dbraw/zinc/84/62/69/375846269.db2.gz AOKZQNIXUKJQHW-YCPHGPKFSA-N 2 2 294.443 1.455 10 30 CDEELP C=CC[C@]1(C(=O)N(C)CCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662798583 413518787 /nfs/dbraw/zinc/51/87/87/413518787.db2.gz DNYNWQSDLTZFOB-OAHLLOKOSA-N 2 2 276.384 1.430 10 30 CDEELP C[NH+](C)CC1CC[NH+](C[C@@](N)(C#N)c2ccccc2)CC1 ZINC000045182191 175325514 /nfs/dbraw/zinc/32/55/14/175325514.db2.gz YQVFFIATRAJINT-KRWDZBQOSA-N 2 2 286.423 1.638 10 30 CDEELP C[C@]([NH3+])(C#N)CCCCN1CC[NH+](C2CC2)CC1 ZINC000045320483 175359139 /nfs/dbraw/zinc/35/91/39/175359139.db2.gz GWUZVNCOSBBTEG-CQSZACIVSA-N 2 2 250.390 1.178 10 30 CDEELP C[C@]([NH3+])(C#N)CCCC[NH+]1CCN(C2CC2)CC1 ZINC000045320483 175359140 /nfs/dbraw/zinc/35/91/40/175359140.db2.gz GWUZVNCOSBBTEG-CQSZACIVSA-N 2 2 250.390 1.178 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001669832569 1173616261 /nfs/dbraw/zinc/61/62/61/1173616261.db2.gz GJYQBLLXXQVGHW-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001669832569 1173616264 /nfs/dbraw/zinc/61/62/64/1173616264.db2.gz GJYQBLLXXQVGHW-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663475 326853157 /nfs/dbraw/zinc/85/31/57/326853157.db2.gz IFBWQCMVQKCLHK-KBPBESRZSA-N 2 2 296.374 1.661 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667837062 483455339 /nfs/dbraw/zinc/45/53/39/483455339.db2.gz GROVSOBTZRHIHL-CABCVRRESA-N 2 2 250.386 1.794 10 30 CDEELP CC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615621 520128343 /nfs/dbraw/zinc/12/83/43/520128343.db2.gz FXBVBUVVYCRGLG-BZUAXINKSA-N 2 2 278.444 1.827 10 30 CDEELP CC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068615621 520128350 /nfs/dbraw/zinc/12/83/50/520128350.db2.gz FXBVBUVVYCRGLG-BZUAXINKSA-N 2 2 278.444 1.827 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052882593 518864423 /nfs/dbraw/zinc/86/44/23/518864423.db2.gz LAGBENXBXNYYCE-MRXNPFEDSA-N 2 2 273.380 1.191 10 30 CDEELP CC(C)[NH2+][C@@H](C#N)CCN1CC[NH+](C2CCCC2)CC1 ZINC000062438874 519733684 /nfs/dbraw/zinc/73/36/84/519733684.db2.gz ISIZMYISXGXNMC-OAHLLOKOSA-N 2 2 278.444 1.827 10 30 CDEELP C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000733893441 575144729 /nfs/dbraw/zinc/14/47/29/575144729.db2.gz WRBKQHSNFJFBBQ-UHFFFAOYSA-N 2 2 282.347 1.618 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000757662664 577049228 /nfs/dbraw/zinc/04/92/28/577049228.db2.gz QMFYUXAIIJSLHM-NEPJUHHUSA-N 2 2 269.414 1.032 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001688915542 1175067262 /nfs/dbraw/zinc/06/72/62/1175067262.db2.gz ZJJRTSXUZOGIEA-BETUJISGSA-N 2 2 276.384 1.321 10 30 CDEELP C=C(C)C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OCC ZINC000896004027 619947037 /nfs/dbraw/zinc/94/70/37/619947037.db2.gz OTQOWQVIAYRIGB-AWEZNQCLSA-N 2 2 268.401 1.816 10 30 CDEELP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053559 1158843983 /nfs/dbraw/zinc/84/39/83/1158843983.db2.gz RZPHKZRLNVKIFQ-AWEZNQCLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053559 1158843996 /nfs/dbraw/zinc/84/39/96/1158843996.db2.gz RZPHKZRLNVKIFQ-AWEZNQCLSA-N 2 2 277.412 1.027 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691146313 1158932477 /nfs/dbraw/zinc/93/24/77/1158932477.db2.gz RZTUNJXLUHPFOE-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691146313 1158932478 /nfs/dbraw/zinc/93/24/78/1158932478.db2.gz RZTUNJXLUHPFOE-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691146313 1158932481 /nfs/dbraw/zinc/93/24/81/1158932481.db2.gz RZTUNJXLUHPFOE-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691146313 1158932482 /nfs/dbraw/zinc/93/24/82/1158932482.db2.gz RZTUNJXLUHPFOE-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001691177926 1158946954 /nfs/dbraw/zinc/94/69/54/1158946954.db2.gz IGCALBPVJJOEDH-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C#CCC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001274736905 1166646235 /nfs/dbraw/zinc/64/62/35/1166646235.db2.gz VAWPTMNIPNTRHR-LBPRGKRZSA-N 2 2 284.363 1.684 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001671206042 1167208458 /nfs/dbraw/zinc/20/84/58/1167208458.db2.gz GADUXXUPFVCBHJ-UHFFFAOYSA-N 2 2 293.455 1.971 10 30 CDEELP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001567196945 1168616730 /nfs/dbraw/zinc/61/67/30/1168616730.db2.gz SZKNQBDBORHICU-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001568659921 1169418778 /nfs/dbraw/zinc/41/87/78/1169418778.db2.gz OIWIVPDZSUBHSW-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001671814997 1173713420 /nfs/dbraw/zinc/71/34/20/1173713420.db2.gz GIQFECUCARSRIN-OAHLLOKOSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001672240939 1173756295 /nfs/dbraw/zinc/75/62/95/1173756295.db2.gz MVVZTXCGEAZGAU-UONOGXRCSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001690357439 1175448437 /nfs/dbraw/zinc/44/84/37/1175448437.db2.gz UGEAJBSJKPDQRL-UPJWGTAASA-N 2 2 276.384 1.544 10 30 CDEELP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001690779355 1175572778 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1.802 10 30 CDEELP C=CCC[NH+]1CC([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001700547292 1177009177 /nfs/dbraw/zinc/00/91/77/1177009177.db2.gz CLASFZPNZMDLEP-ZDUSSCGKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001714548477 1179204392 /nfs/dbraw/zinc/20/43/92/1179204392.db2.gz PGDZMOIKFXDBMF-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001714548477 1179204399 /nfs/dbraw/zinc/20/43/99/1179204399.db2.gz PGDZMOIKFXDBMF-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001714620921 1179271491 /nfs/dbraw/zinc/27/14/91/1179271491.db2.gz FDUCJBDMKOTZFC-DLBZAZTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001714620921 1179271498 /nfs/dbraw/zinc/27/14/98/1179271498.db2.gz FDUCJBDMKOTZFC-DLBZAZTESA-N 2 2 299.418 1.503 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714907720 1179448505 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C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001440924150 964264418 /nfs/dbraw/zinc/26/44/18/964264418.db2.gz JUZCHGDBQUVFNE-TZMCWYRMSA-N 2 2 299.846 1.517 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496091238 972790961 /nfs/dbraw/zinc/79/09/61/972790961.db2.gz BLVZMBUQKPSGMA-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001496357627 972898095 /nfs/dbraw/zinc/89/80/95/972898095.db2.gz MDFIQJRUHLKUIF-GXTWGEPZSA-N 2 2 276.384 1.355 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001500118410 974377859 /nfs/dbraw/zinc/37/78/59/974377859.db2.gz PTLQXPYVYORBNQ-AWEZNQCLSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001376483378 974672627 /nfs/dbraw/zinc/67/26/27/974672627.db2.gz BWSVACNLLNEDNR-JLLWLGSASA-N 2 2 296.802 1.578 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001401643036 975758222 /nfs/dbraw/zinc/75/82/22/975758222.db2.gz CXRXWIAZPNNUSV-NEPJUHHUSA-N 2 2 284.791 1.681 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001676767197 1174269826 /nfs/dbraw/zinc/26/98/26/1174269826.db2.gz MRFGCPUIPLTYQL-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C[N@H+](C[C@@H](O)C[NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000600753043 342248300 /nfs/dbraw/zinc/24/83/00/342248300.db2.gz IHSWKQBAFGISGU-AWEZNQCLSA-N 2 2 265.401 1.505 10 30 CDEELP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000600753043 342248301 /nfs/dbraw/zinc/24/83/01/342248301.db2.gz IHSWKQBAFGISGU-AWEZNQCLSA-N 2 2 265.401 1.505 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001660198414 1172176623 /nfs/dbraw/zinc/17/66/23/1172176623.db2.gz SRUZRGLZZPBCOD-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001660198414 1172176628 /nfs/dbraw/zinc/17/66/28/1172176628.db2.gz SRUZRGLZZPBCOD-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342709137 356129059 /nfs/dbraw/zinc/12/90/59/356129059.db2.gz JMBHFABHTISABQ-LBPRGKRZSA-N 2 2 280.335 1.581 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001661049453 1172329284 /nfs/dbraw/zinc/32/92/84/1172329284.db2.gz KIRPOVBUBOEHFZ-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001661049453 1172329292 /nfs/dbraw/zinc/32/92/92/1172329292.db2.gz KIRPOVBUBOEHFZ-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000567042406 370864449 /nfs/dbraw/zinc/86/44/49/370864449.db2.gz CJQSJKVJCMTJFI-SNVBAGLBSA-N 2 2 252.280 1.150 10 30 CDEELP C[N@H+]1C[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000193653457 375889884 /nfs/dbraw/zinc/88/98/84/375889884.db2.gz KRMBZMFLBUDZOA-GASCZTMLSA-N 2 2 258.340 1.671 10 30 CDEELP C[N@@H+]1C[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000193653457 375889888 /nfs/dbraw/zinc/88/98/88/375889888.db2.gz KRMBZMFLBUDZOA-GASCZTMLSA-N 2 2 258.340 1.671 10 30 CDEELP C[NH+]1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000193653457 375889891 /nfs/dbraw/zinc/88/98/91/375889891.db2.gz KRMBZMFLBUDZOA-GASCZTMLSA-N 2 2 258.340 1.671 10 30 CDEELP C[NH+]1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000193653457 375889893 /nfs/dbraw/zinc/88/98/93/375889893.db2.gz KRMBZMFLBUDZOA-GASCZTMLSA-N 2 2 258.340 1.671 10 30 CDEELP CC#CCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000155189187 390917838 /nfs/dbraw/zinc/91/78/38/390917838.db2.gz JZXGMJFQEQFLCI-AWEZNQCLSA-N 2 2 250.386 1.585 10 30 CDEELP CC#CCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000155189187 390917839 /nfs/dbraw/zinc/91/78/39/390917839.db2.gz JZXGMJFQEQFLCI-AWEZNQCLSA-N 2 2 250.386 1.585 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000421387479 392932816 /nfs/dbraw/zinc/93/28/16/392932816.db2.gz TUKYGNOBUGGGHW-HNNXBMFYSA-N 2 2 291.370 1.634 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000421387479 392932819 /nfs/dbraw/zinc/93/28/19/392932819.db2.gz TUKYGNOBUGGGHW-HNNXBMFYSA-N 2 2 291.370 1.634 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000649286712 393322214 /nfs/dbraw/zinc/32/22/14/393322214.db2.gz MSCOJXPTTBMGQE-AWEZNQCLSA-N 2 2 277.368 1.149 10 30 CDEELP C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373355537 397675054 /nfs/dbraw/zinc/67/50/54/397675054.db2.gz VPKOQXXSWJEXIF-HUUCEWRRSA-N 2 2 293.455 1.873 10 30 CDEELP C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373355537 397675057 /nfs/dbraw/zinc/67/50/57/397675057.db2.gz VPKOQXXSWJEXIF-HUUCEWRRSA-N 2 2 293.455 1.873 10 30 CDEELP N#Cc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335804231 151034024 /nfs/dbraw/zinc/03/40/24/151034024.db2.gz MPHNPGOKXVIRKP-ZDUSSCGKSA-N 2 2 252.321 1.928 10 30 CDEELP N#Cc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335804231 151034027 /nfs/dbraw/zinc/03/40/27/151034027.db2.gz MPHNPGOKXVIRKP-ZDUSSCGKSA-N 2 2 252.321 1.928 10 30 CDEELP C=CC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCC[NH2+]1 ZINC000662786799 413495585 /nfs/dbraw/zinc/49/55/85/413495585.db2.gz YGIKEMGXIARUOE-AWEZNQCLSA-N 2 2 262.357 1.077 10 30 CDEELP CC[C@H]1C[N@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688917 175095578 /nfs/dbraw/zinc/09/55/78/175095578.db2.gz SVXVONNECLXWPC-ZDUSSCGKSA-N 2 2 264.394 1.669 10 30 CDEELP CC[C@H]1C[N@@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688917 175095580 /nfs/dbraw/zinc/09/55/80/175095580.db2.gz SVXVONNECLXWPC-ZDUSSCGKSA-N 2 2 264.394 1.669 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316591 175358022 /nfs/dbraw/zinc/35/80/22/175358022.db2.gz JLOGOTUNWPGABG-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000045316591 175358023 /nfs/dbraw/zinc/35/80/23/175358023.db2.gz JLOGOTUNWPGABG-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189114 176064946 /nfs/dbraw/zinc/06/49/46/176064946.db2.gz JYDIATGXRFTEDG-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189114 176064948 /nfs/dbraw/zinc/06/49/48/176064948.db2.gz JYDIATGXRFTEDG-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189114 176064949 /nfs/dbraw/zinc/06/49/49/176064949.db2.gz JYDIATGXRFTEDG-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189114 176064951 /nfs/dbraw/zinc/06/49/51/176064951.db2.gz JYDIATGXRFTEDG-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP COCC[N@H+](CCC#N)Cc1sccc1C#CC[NH3+] ZINC000071228775 176091165 /nfs/dbraw/zinc/09/11/65/176091165.db2.gz SRLWGJFUKLEAGW-UHFFFAOYSA-N 2 2 277.393 1.420 10 30 CDEELP COCC[N@@H+](CCC#N)Cc1sccc1C#CC[NH3+] ZINC000071228775 176091168 /nfs/dbraw/zinc/09/11/68/176091168.db2.gz SRLWGJFUKLEAGW-UHFFFAOYSA-N 2 2 277.393 1.420 10 30 CDEELP Cc1nc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc[nH+]1 ZINC000294638151 263165475 /nfs/dbraw/zinc/16/54/75/263165475.db2.gz PTPLZRYSDSZWIT-KBPBESRZSA-N 2 2 271.368 1.599 10 30 CDEELP C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342059005 263384462 /nfs/dbraw/zinc/38/44/62/263384462.db2.gz QMWXGJUSJUNLFA-CQSZACIVSA-N 2 2 281.444 1.731 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001667210377 1173245618 /nfs/dbraw/zinc/24/56/18/1173245618.db2.gz IAIVBFJKEGGVQY-JSGCOSHPSA-N 2 2 288.395 1.111 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001667351703 1173257116 /nfs/dbraw/zinc/25/71/16/1173257116.db2.gz GVESTKAXIFNQFF-OCCSQVGLSA-N 2 2 290.411 1.663 10 30 CDEELP C=CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186708951 329347969 /nfs/dbraw/zinc/34/79/69/329347969.db2.gz VHYJYEQUOMTCFI-INIZCTEOSA-N 2 2 275.396 1.573 10 30 CDEELP C[C@H]1C[NH+]=C(NCc2ccc(Cn3cc[nH+]c3)cc2)N1 ZINC000262634690 330023752 /nfs/dbraw/zinc/02/37/52/330023752.db2.gz GMUQUJAHJRNVBP-LBPRGKRZSA-N 2 2 269.352 1.369 10 30 CDEELP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001268030072 1159680161 /nfs/dbraw/zinc/68/01/61/1159680161.db2.gz MCZNFYKEVCXNPK-HNNXBMFYSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001268030072 1159680163 /nfs/dbraw/zinc/68/01/63/1159680163.db2.gz MCZNFYKEVCXNPK-HNNXBMFYSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001268030072 1159680165 /nfs/dbraw/zinc/68/01/65/1159680165.db2.gz MCZNFYKEVCXNPK-HNNXBMFYSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001268030072 1159680169 /nfs/dbraw/zinc/68/01/69/1159680169.db2.gz MCZNFYKEVCXNPK-HNNXBMFYSA-N 2 2 297.443 1.111 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751676 1160013650 /nfs/dbraw/zinc/01/36/50/1160013650.db2.gz MPSYERPKBGEDLU-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751676 1160013659 /nfs/dbraw/zinc/01/36/59/1160013659.db2.gz MPSYERPKBGEDLU-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050949593 518862188 /nfs/dbraw/zinc/86/21/88/518862188.db2.gz SCDCQOHXEPNDMV-CQSZACIVSA-N 2 2 265.401 1.239 10 30 CDEELP CC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000068613741 520131167 /nfs/dbraw/zinc/13/11/67/520131167.db2.gz QRCBNKVWPGXYDL-GOEBONIOSA-N 2 2 278.444 1.684 10 30 CDEELP COc1ccc(C[N@H+](C)CCC#N)cc1C#CC[NH3+] ZINC000049608302 524001964 /nfs/dbraw/zinc/00/19/64/524001964.db2.gz GAOFMRQYZRTJDP-UHFFFAOYSA-N 2 2 257.337 1.351 10 30 CDEELP COc1ccc(C[N@@H+](C)CCC#N)cc1C#CC[NH3+] ZINC000049608302 524001968 /nfs/dbraw/zinc/00/19/68/524001968.db2.gz GAOFMRQYZRTJDP-UHFFFAOYSA-N 2 2 257.337 1.351 10 30 CDEELP C[C@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609138 524721048 /nfs/dbraw/zinc/72/10/48/524721048.db2.gz MXPMFSNIDVWNRV-LBPRGKRZSA-N 2 2 262.328 1.357 10 30 CDEELP C[C@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609138 524721058 /nfs/dbraw/zinc/72/10/58/524721058.db2.gz MXPMFSNIDVWNRV-LBPRGKRZSA-N 2 2 262.328 1.357 10 30 CDEELP C[C@@H](C[C@@](C)(C#N)NC1CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000068611584 524849824 /nfs/dbraw/zinc/84/98/24/524849824.db2.gz VFQQQWOVGJOREV-BBRMVZONSA-N 2 2 278.444 1.825 10 30 CDEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2CC)CC1 ZINC000748822414 576927598 /nfs/dbraw/zinc/92/75/98/576927598.db2.gz ZQHPQNOPGLJIDF-INIZCTEOSA-N 2 2 291.439 1.418 10 30 CDEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CC)CC1 ZINC000748822414 576927599 /nfs/dbraw/zinc/92/75/99/576927599.db2.gz ZQHPQNOPGLJIDF-INIZCTEOSA-N 2 2 291.439 1.418 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001688914959 1175065351 /nfs/dbraw/zinc/06/53/51/1175065351.db2.gz OMEOTSNRROMJKG-BETUJISGSA-N 2 2 276.384 1.023 10 30 CDEELP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@@]2(C)C1 ZINC000931316978 617711994 /nfs/dbraw/zinc/71/19/94/617711994.db2.gz LTLPGGNRGQLLTD-ARFHVFGLSA-N 2 2 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C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707446307 1178052086 /nfs/dbraw/zinc/05/20/86/1178052086.db2.gz PAFVGGZBSWZQLL-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713275061 1178463235 /nfs/dbraw/zinc/46/32/35/1178463235.db2.gz DNSMISGWOPIGNH-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713275061 1178463239 /nfs/dbraw/zinc/46/32/39/1178463239.db2.gz DNSMISGWOPIGNH-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713275061 1178463243 /nfs/dbraw/zinc/46/32/43/1178463243.db2.gz DNSMISGWOPIGNH-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713275061 1178463245 /nfs/dbraw/zinc/46/32/45/1178463245.db2.gz DNSMISGWOPIGNH-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001713409899 1178544349 /nfs/dbraw/zinc/54/43/49/1178544349.db2.gz CDPRNZUYTGJIGU-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001713741871 1178732257 /nfs/dbraw/zinc/73/22/57/1178732257.db2.gz ONOCMBHMVXVQCB-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001713741871 1178732261 /nfs/dbraw/zinc/73/22/61/1178732261.db2.gz ONOCMBHMVXVQCB-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001714048665 1178946306 /nfs/dbraw/zinc/94/63/06/1178946306.db2.gz CMNVGWPHOSBRNQ-OAHLLOKOSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001714048665 1178946310 /nfs/dbraw/zinc/94/63/10/1178946310.db2.gz CMNVGWPHOSBRNQ-OAHLLOKOSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714108086 1178976303 /nfs/dbraw/zinc/97/63/03/1178976303.db2.gz VXLGWVGRTGJBMV-JHJVBQTASA-N 2 2 276.384 1.194 10 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CDEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001317682337 957637346 /nfs/dbraw/zinc/63/73/46/957637346.db2.gz TYWNIVWOONNZTE-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001319560302 958630680 /nfs/dbraw/zinc/63/06/80/958630680.db2.gz LCPBABGJTYHEKK-LBPRGKRZSA-N 2 2 276.384 1.147 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001322193861 960127038 /nfs/dbraw/zinc/12/70/38/960127038.db2.gz NQHQCBBAILKMNU-LLVKDONJSA-N 2 2 272.352 1.799 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001322193861 960127047 /nfs/dbraw/zinc/12/70/47/960127047.db2.gz NQHQCBBAILKMNU-LLVKDONJSA-N 2 2 272.352 1.799 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001322362821 960194683 /nfs/dbraw/zinc/19/46/83/960194683.db2.gz ZPEFTVHDGQTLFN-UONOGXRCSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001324175301 961218867 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C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001500249581 974410104 /nfs/dbraw/zinc/41/01/04/974410104.db2.gz UXILYBMGYXBCOI-OAHLLOKOSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001500249581 974410107 /nfs/dbraw/zinc/41/01/07/974410107.db2.gz UXILYBMGYXBCOI-OAHLLOKOSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001507419171 975461818 /nfs/dbraw/zinc/46/18/18/975461818.db2.gz OWSCDSNYAYBTAN-UONOGXRCSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001507417467 975462417 /nfs/dbraw/zinc/46/24/17/975462417.db2.gz XJLZWCLGTMZOGU-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001391513755 976926769 /nfs/dbraw/zinc/92/67/69/976926769.db2.gz WTJDPUVWEVUSKD-LBPRGKRZSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001391513755 976926782 /nfs/dbraw/zinc/92/67/82/976926782.db2.gz WTJDPUVWEVUSKD-LBPRGKRZSA-N 2 2 285.819 1.129 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001674703554 1173991308 /nfs/dbraw/zinc/99/13/08/1173991308.db2.gz YWEXHIJBLVQOLY-OLZOCXBDSA-N 2 2 278.400 1.412 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001570720208 1170252362 /nfs/dbraw/zinc/25/23/62/1170252362.db2.gz NPLXWJFNUYJVGM-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001570720208 1170252364 /nfs/dbraw/zinc/25/23/64/1170252364.db2.gz NPLXWJFNUYJVGM-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H](CC)Cn2cncn2)CC1 ZINC000438835120 361768565 /nfs/dbraw/zinc/76/85/65/361768565.db2.gz KFSNMRGHSDEWFX-CYBMUJFWSA-N 2 2 263.389 1.297 10 30 CDEELP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)Cn1cc[nH+]c1 ZINC000594440297 342907156 /nfs/dbraw/zinc/90/71/56/342907156.db2.gz BONLWYDDGDJATA-QWHCGFSZSA-N 2 2 277.372 1.047 10 30 CDEELP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595977428 343209228 /nfs/dbraw/zinc/20/92/28/343209228.db2.gz IRGJFOJEDZCMRO-RYUDHWBXSA-N 2 2 277.372 1.491 10 30 CDEELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595904549 343187950 /nfs/dbraw/zinc/18/79/50/343187950.db2.gz FOJOWKWZTUWWCS-ZBFHGGJFSA-N 2 2 273.380 1.973 10 30 CDEELP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595904549 343187952 /nfs/dbraw/zinc/18/79/52/343187952.db2.gz FOJOWKWZTUWWCS-ZBFHGGJFSA-N 2 2 273.380 1.973 10 30 CDEELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182564 356606189 /nfs/dbraw/zinc/60/61/89/356606189.db2.gz COLARZJORUPLLC-SWLSCSKDSA-N 2 2 259.353 1.477 10 30 CDEELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182564 356606193 /nfs/dbraw/zinc/60/61/93/356606193.db2.gz COLARZJORUPLLC-SWLSCSKDSA-N 2 2 259.353 1.477 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984466 373897514 /nfs/dbraw/zinc/89/75/14/373897514.db2.gz VTVUEDSBBNVSKW-AWEZNQCLSA-N 2 2 252.402 1.874 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449396016 374808685 /nfs/dbraw/zinc/80/86/85/374808685.db2.gz RBJYEDHGMHDMLS-MRXNPFEDSA-N 2 2 273.380 1.495 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449396016 374808694 /nfs/dbraw/zinc/80/86/94/374808694.db2.gz RBJYEDHGMHDMLS-MRXNPFEDSA-N 2 2 273.380 1.495 10 30 CDEELP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033714 392844411 /nfs/dbraw/zinc/84/44/11/392844411.db2.gz ZTKMRDVAKPMRGX-CJNGLKHVSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033714 392844416 /nfs/dbraw/zinc/84/44/16/392844416.db2.gz ZTKMRDVAKPMRGX-CJNGLKHVSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033714 392844421 /nfs/dbraw/zinc/84/44/21/392844421.db2.gz ZTKMRDVAKPMRGX-CJNGLKHVSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033714 392844423 /nfs/dbraw/zinc/84/44/23/392844423.db2.gz ZTKMRDVAKPMRGX-CJNGLKHVSA-N 2 2 297.406 1.978 10 30 CDEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855168 413060377 /nfs/dbraw/zinc/06/03/77/413060377.db2.gz ABMHHQFDFKRAMZ-CABCVRRESA-N 2 2 279.428 1.485 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCCOCC(C)C)CC1 ZINC000037234264 173052922 /nfs/dbraw/zinc/05/29/22/173052922.db2.gz FCWYCUFPIOOOEG-UHFFFAOYSA-N 2 2 252.402 1.736 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306078 175355723 /nfs/dbraw/zinc/35/57/23/175355723.db2.gz HDRGONNBAMPIMJ-INIZCTEOSA-N 2 2 294.443 1.636 10 30 CDEELP C#CC[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071400815 176153209 /nfs/dbraw/zinc/15/32/09/176153209.db2.gz XJRXEQZNBRBRNE-INIZCTEOSA-N 2 2 285.391 1.244 10 30 CDEELP N#CC1(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000527377245 328687738 /nfs/dbraw/zinc/68/77/38/328687738.db2.gz SPPFODACYRZTPW-UHFFFAOYSA-N 2 2 287.367 1.152 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268459309 1159948227 /nfs/dbraw/zinc/94/82/27/1159948227.db2.gz AKIPKFVGNQSNLD-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001268800439 1160017443 /nfs/dbraw/zinc/01/74/43/1160017443.db2.gz NZPIDMAKKOHMCW-UHFFFAOYSA-N 2 2 289.379 1.094 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415982 483108226 /nfs/dbraw/zinc/10/82/26/483108226.db2.gz MWEBWLJWTXMWBB-JKSUJKDBSA-N 2 2 291.439 1.651 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415982 483108233 /nfs/dbraw/zinc/10/82/33/483108233.db2.gz MWEBWLJWTXMWBB-JKSUJKDBSA-N 2 2 291.439 1.651 10 30 CDEELP CCN[C@@H](C#N)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000062437218 520057557 /nfs/dbraw/zinc/05/75/57/520057557.db2.gz SVVXZJQFVSMRCT-CYBMUJFWSA-N 2 2 252.406 1.294 10 30 CDEELP CCN[C@@H](C#N)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000062437218 520057562 /nfs/dbraw/zinc/05/75/62/520057562.db2.gz SVVXZJQFVSMRCT-CYBMUJFWSA-N 2 2 252.406 1.294 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052882594 518862974 /nfs/dbraw/zinc/86/29/74/518862974.db2.gz LAGBENXBXNYYCE-INIZCTEOSA-N 2 2 273.380 1.191 10 30 CDEELP CC[C@H]1C[N@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049609188 523288151 /nfs/dbraw/zinc/28/81/51/523288151.db2.gz MFNITCCNYBHQAP-HNNXBMFYSA-N 2 2 276.355 1.747 10 30 CDEELP CC[C@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049609188 523288159 /nfs/dbraw/zinc/28/81/59/523288159.db2.gz MFNITCCNYBHQAP-HNNXBMFYSA-N 2 2 276.355 1.747 10 30 CDEELP [NH3+]CC#Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049328931 527151975 /nfs/dbraw/zinc/15/19/75/527151975.db2.gz MVGLJWWYPPNCKO-UHFFFAOYSA-N 2 2 255.321 1.662 10 30 CDEELP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939643467 613351294 /nfs/dbraw/zinc/35/12/94/613351294.db2.gz TVEDTTPGIMTWFV-HIFRSBDPSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091339 625828717 /nfs/dbraw/zinc/82/87/17/625828717.db2.gz RSUZFIJONKHIJL-LSDHHAIUSA-N 2 2 266.385 1.174 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001690990930 1158515592 /nfs/dbraw/zinc/51/55/92/1158515592.db2.gz GUSZGRALTWZOJT-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001690990930 1158515595 /nfs/dbraw/zinc/51/55/95/1158515595.db2.gz GUSZGRALTWZOJT-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP CC#CC[NH2+]C[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001268015252 1159648494 /nfs/dbraw/zinc/64/84/94/1159648494.db2.gz JCOZRNGMCFBIJE-AWEZNQCLSA-N 2 2 276.384 1.029 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001565853781 1168186394 /nfs/dbraw/zinc/18/63/94/1168186394.db2.gz IFOMLIZTNXDLCL-BETUJISGSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001566770234 1168414396 /nfs/dbraw/zinc/41/43/96/1168414396.db2.gz CBRHGLPBLQNBGM-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001570686459 1170230469 /nfs/dbraw/zinc/23/04/69/1170230469.db2.gz OFGZIWVABXUWHS-UHFFFAOYSA-N 2 2 264.373 1.212 10 30 CDEELP C=CCCC[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001662373204 1172538093 /nfs/dbraw/zinc/53/80/93/1172538093.db2.gz QKTKPOHIBNAIHX-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001662690282 1172580957 /nfs/dbraw/zinc/58/09/57/1172580957.db2.gz FDGUNDRVRRURPM-HUUCEWRRSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001665808240 1173065395 /nfs/dbraw/zinc/06/53/95/1173065395.db2.gz AMFJEMIGWJIFRK-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C#CCC[NH2+]C/C=C/CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001668827759 1173470223 /nfs/dbraw/zinc/47/02/23/1173470223.db2.gz LIQJSPGJBGFGSO-AATRIKPKSA-N 2 2 296.374 1.542 10 30 CDEELP 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C#CCC[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001493597438 921061789 /nfs/dbraw/zinc/06/17/89/921061789.db2.gz FZHVATAYZUKBDA-UHFFFAOYSA-N 2 2 270.336 1.248 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001491508237 936926414 /nfs/dbraw/zinc/92/64/14/936926414.db2.gz QGZNJMLKUVDWTJ-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH2+]CC1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001275262699 931717382 /nfs/dbraw/zinc/71/73/82/931717382.db2.gz DRBQCGWOWHNACU-UHFFFAOYSA-N 2 2 296.374 1.456 10 30 CDEELP C=C(C)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001276227119 932661878 /nfs/dbraw/zinc/66/18/78/932661878.db2.gz SGDKQDLZHIMTRF-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001282147833 942669366 /nfs/dbraw/zinc/66/93/66/942669366.db2.gz QYAKTBJLAVJIEQ-CHWSQXEVSA-N 2 2 289.379 1.139 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001279104086 944111792 /nfs/dbraw/zinc/11/17/92/944111792.db2.gz XKDVLANUTQXJIJ-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001279104086 944111795 /nfs/dbraw/zinc/11/17/95/944111795.db2.gz XKDVLANUTQXJIJ-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001264374717 944116427 /nfs/dbraw/zinc/11/64/27/944116427.db2.gz NAALYKXJAHFMCS-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001264374717 944116432 /nfs/dbraw/zinc/11/64/32/944116432.db2.gz NAALYKXJAHFMCS-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001264374717 944116438 /nfs/dbraw/zinc/11/64/38/944116438.db2.gz NAALYKXJAHFMCS-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001264374717 944116442 /nfs/dbraw/zinc/11/64/42/944116442.db2.gz NAALYKXJAHFMCS-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265089217 944225135 /nfs/dbraw/zinc/22/51/35/944225135.db2.gz KYCNWSVBSGHYFI-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265312308 944336873 /nfs/dbraw/zinc/33/68/73/944336873.db2.gz LKPWEOLOCARNQY-IRXDYDNUSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265312308 944336877 /nfs/dbraw/zinc/33/68/77/944336877.db2.gz LKPWEOLOCARNQY-IRXDYDNUSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001265312308 944336881 /nfs/dbraw/zinc/33/68/81/944336881.db2.gz LKPWEOLOCARNQY-IRXDYDNUSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001265312308 944336884 /nfs/dbraw/zinc/33/68/84/944336884.db2.gz LKPWEOLOCARNQY-IRXDYDNUSA-N 2 2 299.418 1.503 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874360 944552435 /nfs/dbraw/zinc/55/24/35/944552435.db2.gz AWWZNKCNAHPUMP-UHFFFAOYSA-N 2 2 284.363 1.638 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874360 944552440 /nfs/dbraw/zinc/55/24/40/944552440.db2.gz AWWZNKCNAHPUMP-UHFFFAOYSA-N 2 2 284.363 1.638 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001278314034 945855695 /nfs/dbraw/zinc/85/56/95/945855695.db2.gz ATEKPKUAQLWBAS-DZGCQCFKSA-N 2 2 290.411 1.508 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001278438420 948052349 /nfs/dbraw/zinc/05/23/49/948052349.db2.gz SNVKBEINTIBQKF-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001278438420 948052355 /nfs/dbraw/zinc/05/23/55/948052355.db2.gz SNVKBEINTIBQKF-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480286420 971659347 /nfs/dbraw/zinc/65/93/47/971659347.db2.gz QQRYZZJKYOSBBK-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480286420 971659353 /nfs/dbraw/zinc/65/93/53/971659353.db2.gz QQRYZZJKYOSBBK-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480614074 971808243 /nfs/dbraw/zinc/80/82/43/971808243.db2.gz KLMQTKJKGOIOJL-HNNXBMFYSA-N 2 2 296.374 1.470 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329031737 955641400 /nfs/dbraw/zinc/64/14/00/955641400.db2.gz CXRYRCXSBVRESE-KGLIPLIRSA-N 2 2 298.390 1.762 10 30 CDEELP C#CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317329805 956137042 /nfs/dbraw/zinc/13/70/42/956137042.db2.gz GRKCDGDDIFKVOR-OAHLLOKOSA-N 2 2 285.391 1.692 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317530260 957532248 /nfs/dbraw/zinc/53/22/48/957532248.db2.gz USKWEPJYPXURJD-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317530260 957532249 /nfs/dbraw/zinc/53/22/49/957532249.db2.gz USKWEPJYPXURJD-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001317769611 957656938 /nfs/dbraw/zinc/65/69/38/957656938.db2.gz GTCLELBKVPQROP-HNNXBMFYSA-N 2 2 288.395 1.138 10 30 CDEELP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001317769611 957656945 /nfs/dbraw/zinc/65/69/45/957656945.db2.gz GTCLELBKVPQROP-HNNXBMFYSA-N 2 2 288.395 1.138 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001318582958 958183771 /nfs/dbraw/zinc/18/37/71/958183771.db2.gz WTZGDVYIMFOGPJ-STQMWFEESA-N 2 2 264.373 1.505 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001319560301 958631691 /nfs/dbraw/zinc/63/16/91/958631691.db2.gz LCPBABGJTYHEKK-GFCCVEGCSA-N 2 2 276.384 1.147 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001320171807 958985857 /nfs/dbraw/zinc/98/58/57/958985857.db2.gz NHEMPBUTKCZFIH-UONOGXRCSA-N 2 2 290.411 1.711 10 30 CDEELP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321127884 959607737 /nfs/dbraw/zinc/60/77/37/959607737.db2.gz UVFPWVIHTSTBQI-ZRUQZJFASA-N 2 2 288.395 1.284 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001321710884 959917887 /nfs/dbraw/zinc/91/78/87/959917887.db2.gz VVRLEFGBIUNANF-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001495392421 972485111 /nfs/dbraw/zinc/48/51/11/972485111.db2.gz BFBOLFNXVBIRHS-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001420349401 962773864 /nfs/dbraw/zinc/77/38/64/962773864.db2.gz KEGGKHJBTCEOQR-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001420349401 962773872 /nfs/dbraw/zinc/77/38/72/962773872.db2.gz KEGGKHJBTCEOQR-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=CCCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001502003326 974671942 /nfs/dbraw/zinc/67/19/42/974671942.db2.gz RWQLHCSTHMZGDG-UHFFFAOYSA-N 2 2 276.384 1.547 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001505521707 974900066 /nfs/dbraw/zinc/90/00/66/974900066.db2.gz ISXZIAUFGIVUOY-IYXRBSQSSA-N 2 2 276.384 1.505 10 30 CDEELP C=CC[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001508075854 975601625 /nfs/dbraw/zinc/60/16/25/975601625.db2.gz ZZIJEOZVGYVYNB-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001508075854 975601630 /nfs/dbraw/zinc/60/16/30/975601630.db2.gz ZZIJEOZVGYVYNB-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001508139418 975620395 /nfs/dbraw/zinc/62/03/95/975620395.db2.gz RAUVSIGDWMBANA-WLYUNCDWSA-N 2 2 288.395 1.437 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001391867471 977121928 /nfs/dbraw/zinc/12/19/28/977121928.db2.gz RZDKNKUOMYCAGW-GFCCVEGCSA-N 2 2 282.775 1.216 10 30 CDEELP C=C(Cl)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001404286007 977396508 /nfs/dbraw/zinc/39/65/08/977396508.db2.gz NOOGNZHMTPVOPP-UHFFFAOYSA-N 2 2 297.830 1.415 10 30 CDEELP C=C(Cl)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001404286007 977396514 /nfs/dbraw/zinc/39/65/14/977396514.db2.gz NOOGNZHMTPVOPP-UHFFFAOYSA-N 2 2 297.830 1.415 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001674140700 1173917164 /nfs/dbraw/zinc/91/71/64/1173917164.db2.gz IBVGNLVTLKCURG-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001674140700 1173917171 /nfs/dbraw/zinc/91/71/71/1173917171.db2.gz IBVGNLVTLKCURG-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001674667313 1173984513 /nfs/dbraw/zinc/98/45/13/1173984513.db2.gz QOYJDDNUCNUKNC-OLZOCXBDSA-N 2 2 290.411 1.431 10 30 CDEELP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001676783622 1174271275 /nfs/dbraw/zinc/27/12/75/1174271275.db2.gz MJMZNHJLBSJDRR-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571663842 1170514343 /nfs/dbraw/zinc/51/43/43/1170514343.db2.gz IOJRGQUTPNFIDC-IYXRBSQSSA-N 2 2 290.411 1.886 10 30 CDEELP Cc1cc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc(C)[nH+]1 ZINC000594449378 342909175 /nfs/dbraw/zinc/90/91/75/342909175.db2.gz IFZOPJQWPWLHGW-AWEZNQCLSA-N 2 2 274.368 1.726 10 30 CDEELP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663508 356463108 /nfs/dbraw/zinc/46/31/08/356463108.db2.gz IFBWQCMVQKCLHK-UONOGXRCSA-N 2 2 296.374 1.661 10 30 CDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1CC ZINC000251634329 366539092 /nfs/dbraw/zinc/53/90/92/366539092.db2.gz MIDFWDIPCXBUQT-GARJFASQSA-N 2 2 259.191 1.825 10 30 CDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1CC ZINC000251634329 366539096 /nfs/dbraw/zinc/53/90/96/366539096.db2.gz MIDFWDIPCXBUQT-GARJFASQSA-N 2 2 259.191 1.825 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943879 364053013 /nfs/dbraw/zinc/05/30/13/364053013.db2.gz DVAMDHRCKNBLOL-DOMZBBRYSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000581943879 364053019 /nfs/dbraw/zinc/05/30/19/364053019.db2.gz DVAMDHRCKNBLOL-DOMZBBRYSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943879 364053022 /nfs/dbraw/zinc/05/30/22/364053022.db2.gz DVAMDHRCKNBLOL-DOMZBBRYSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943879 364053028 /nfs/dbraw/zinc/05/30/28/364053028.db2.gz DVAMDHRCKNBLOL-DOMZBBRYSA-N 2 2 298.394 1.515 10 30 CDEELP Cc1nc(N2CC[NH+](C[C@@H](C)CCC#N)CC2)cc[nH+]1 ZINC000618887870 369483873 /nfs/dbraw/zinc/48/38/73/369483873.db2.gz MQVGHAMKSJOAMB-ZDUSSCGKSA-N 2 2 273.384 1.847 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001661657733 1172421890 /nfs/dbraw/zinc/42/18/90/1172421890.db2.gz FZCPIBPTJKCIKA-MCIONIFRSA-N 2 2 274.368 1.094 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001662263057 1172517813 /nfs/dbraw/zinc/51/78/13/1172517813.db2.gz OEGRERDAQRAMIL-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nn1 ZINC000655939836 412954192 /nfs/dbraw/zinc/95/41/92/412954192.db2.gz LJWVVIINEAUGLB-MJBXVCDLSA-N 2 2 277.416 1.659 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nn1 ZINC000655939836 412954197 /nfs/dbraw/zinc/95/41/97/412954197.db2.gz LJWVVIINEAUGLB-MJBXVCDLSA-N 2 2 277.416 1.659 10 30 CDEELP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855174 413061467 /nfs/dbraw/zinc/06/14/67/413061467.db2.gz ABMHHQFDFKRAMZ-HUUCEWRRSA-N 2 2 279.428 1.485 10 30 CDEELP N#C[C@@]1(N2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000020596086 171265108 /nfs/dbraw/zinc/26/51/08/171265108.db2.gz IROLWLOOXLLQMK-INIZCTEOSA-N 2 2 270.380 1.060 10 30 CDEELP N#C[C@@]1(N2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000020596086 171265109 /nfs/dbraw/zinc/26/51/09/171265109.db2.gz IROLWLOOXLLQMK-INIZCTEOSA-N 2 2 270.380 1.060 10 30 CDEELP C#CC[NH+]1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000040667212 174366919 /nfs/dbraw/zinc/36/69/19/174366919.db2.gz BBATXSQZJNPKGV-UHFFFAOYSA-N 2 2 272.348 1.603 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001665808237 1173065921 /nfs/dbraw/zinc/06/59/21/1173065921.db2.gz AMFJEMIGWJIFRK-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CC[C@](C)(C#N)NC)CC1 ZINC000045182536 175325278 /nfs/dbraw/zinc/32/52/78/175325278.db2.gz MXTPSFGYRSXRAJ-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CC[C@](C)(C#N)NC)CC1 ZINC000045182536 175325279 /nfs/dbraw/zinc/32/52/79/175325279.db2.gz MXTPSFGYRSXRAJ-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190777 176068620 /nfs/dbraw/zinc/06/86/20/176068620.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190777 176068621 /nfs/dbraw/zinc/06/86/21/176068621.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190777 176068622 /nfs/dbraw/zinc/06/86/22/176068622.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190777 176068623 /nfs/dbraw/zinc/06/86/23/176068623.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328617107 263828781 /nfs/dbraw/zinc/82/87/81/263828781.db2.gz TWLQPYVEQYBKTC-CHWSQXEVSA-N 2 2 291.399 1.310 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001667003469 1173220728 /nfs/dbraw/zinc/22/07/28/1173220728.db2.gz WKZVGGVEDMKAQW-QWHCGFSZSA-N 2 2 264.373 1.457 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367602959 267103593 /nfs/dbraw/zinc/10/35/93/267103593.db2.gz WZYOXSFECKWKRF-MJBXVCDLSA-N 2 2 286.441 1.050 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367602959 267103595 /nfs/dbraw/zinc/10/35/95/267103595.db2.gz WZYOXSFECKWKRF-MJBXVCDLSA-N 2 2 286.441 1.050 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367852021 267122480 /nfs/dbraw/zinc/12/24/80/267122480.db2.gz YFAABTGDFCBZEV-INIZCTEOSA-N 2 2 279.428 1.439 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367852021 267122482 /nfs/dbraw/zinc/12/24/82/267122482.db2.gz YFAABTGDFCBZEV-INIZCTEOSA-N 2 2 279.428 1.439 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367852021 267122483 /nfs/dbraw/zinc/12/24/83/267122483.db2.gz YFAABTGDFCBZEV-INIZCTEOSA-N 2 2 279.428 1.439 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367852021 267122486 /nfs/dbraw/zinc/12/24/86/267122486.db2.gz YFAABTGDFCBZEV-INIZCTEOSA-N 2 2 279.428 1.439 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001667566063 1173292118 /nfs/dbraw/zinc/29/21/18/1173292118.db2.gz MRHYJLUSAMODTG-UHFFFAOYSA-N 2 2 286.379 1.833 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001667566063 1173292122 /nfs/dbraw/zinc/29/21/22/1173292122.db2.gz MRHYJLUSAMODTG-UHFFFAOYSA-N 2 2 286.379 1.833 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001669832568 1173616315 /nfs/dbraw/zinc/61/63/15/1173616315.db2.gz GJYQBLLXXQVGHW-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001669832568 1173616317 /nfs/dbraw/zinc/61/63/17/1173616317.db2.gz GJYQBLLXXQVGHW-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483242821 1160878264 /nfs/dbraw/zinc/87/82/64/1160878264.db2.gz ZDYQMFALMFYHCN-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP CCC[NH2+][C@](C#N)(CN1CCC([NH+](C)C)CC1)C1CC1 ZINC000069078173 520099496 /nfs/dbraw/zinc/09/94/96/520099496.db2.gz ACVPAYYGAMNOOH-MRXNPFEDSA-N 2 2 278.444 1.684 10 30 CDEELP CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000068613610 520103875 /nfs/dbraw/zinc/10/38/75/520103875.db2.gz BHWGIRXXGILOPU-HOCLYGCPSA-N 2 2 278.444 1.827 10 30 CDEELP C[C@H]1CC[C@H](C#N)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061644275 524376498 /nfs/dbraw/zinc/37/64/98/524376498.db2.gz HSVJRGCVPOUFLA-ARFHVFGLSA-N 2 2 278.444 1.494 10 30 CDEELP C[C@@H](C[C@](C)([NH3+])C#N)N1CCC([NH+]2CCCCC2)CC1 ZINC000068612074 524859737 /nfs/dbraw/zinc/85/97/37/524859737.db2.gz BPJWNPHYUBNGDQ-HOCLYGCPSA-N 2 2 278.444 1.956 10 30 CDEELP C[C@@H](C[C@](C)(N)C#N)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000068612074 524859730 /nfs/dbraw/zinc/85/97/30/524859730.db2.gz BPJWNPHYUBNGDQ-HOCLYGCPSA-N 2 2 278.444 1.956 10 30 CDEELP C#CC[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2C)CC1 ZINC000895809200 619847406 /nfs/dbraw/zinc/84/74/06/619847406.db2.gz QSMNLMQIYHKVIF-UHFFFAOYSA-N 2 2 258.369 1.911 10 30 CDEELP CC#CC[NH2+]CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001495429251 1164870135 /nfs/dbraw/zinc/87/01/35/1164870135.db2.gz SHUHIYIGAWBSBI-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001570109945 1170083344 /nfs/dbraw/zinc/08/33/44/1170083344.db2.gz YKCQXRBGQHKBER-ZDUSSCGKSA-N 2 2 288.395 1.260 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001662261175 1172517959 /nfs/dbraw/zinc/51/79/59/1172517959.db2.gz BTOOMBWERNMFGP-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001674964736 1174048258 /nfs/dbraw/zinc/04/82/58/1174048258.db2.gz GCVQCTXJYRCUOA-CYBMUJFWSA-N 2 2 286.379 1.961 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001674964736 1174048267 /nfs/dbraw/zinc/04/82/67/1174048267.db2.gz GCVQCTXJYRCUOA-CYBMUJFWSA-N 2 2 286.379 1.961 10 30 CDEELP C=C(C)CC[NH+]1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001692270717 1175721333 /nfs/dbraw/zinc/72/13/33/1175721333.db2.gz PVDYIWJWIOLZRL-UHFFFAOYSA-N 2 2 276.384 1.430 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001699382519 1176341382 /nfs/dbraw/zinc/34/13/82/1176341382.db2.gz CLDASPYFMJYDKJ-CQSZACIVSA-N 2 2 298.390 1.303 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699450932 1176412895 /nfs/dbraw/zinc/41/28/95/1176412895.db2.gz NROHIJOLLUATJO-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699450932 1176412897 /nfs/dbraw/zinc/41/28/97/1176412897.db2.gz NROHIJOLLUATJO-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001699754971 1176608883 /nfs/dbraw/zinc/60/88/83/1176608883.db2.gz PHRDOJAYWIZQFK-ZDUSSCGKSA-N 2 2 284.363 1.715 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001699953963 1176694913 /nfs/dbraw/zinc/69/49/13/1176694913.db2.gz NQLRZYMCRUMPRL-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001700409310 1176912303 /nfs/dbraw/zinc/91/23/03/1176912303.db2.gz NVNSLPZWCSTLBQ-QWHCGFSZSA-N 2 2 278.400 1.412 10 30 CDEELP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001700446842 1176932355 /nfs/dbraw/zinc/93/23/55/1176932355.db2.gz CCFPIRKSGZOXLI-UHFFFAOYSA-N 2 2 278.400 1.603 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC001700943887 1177203507 /nfs/dbraw/zinc/20/35/07/1177203507.db2.gz BCULIXCEYPVZNM-AWEZNQCLSA-N 2 2 290.411 1.663 10 30 CDEELP CC#CC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001713054762 1178333333 /nfs/dbraw/zinc/33/33/33/1178333333.db2.gz RYLXQQPWEDQGIG-UHFFFAOYSA-N 2 2 288.395 1.219 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001713268775 1178462044 /nfs/dbraw/zinc/46/20/44/1178462044.db2.gz FTXSGRSKRKUTDQ-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001713547121 1178638019 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CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714243353 1179043379 /nfs/dbraw/zinc/04/33/79/1179043379.db2.gz JDIRASVBTGHQEA-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001714243353 1179043384 /nfs/dbraw/zinc/04/33/84/1179043384.db2.gz JDIRASVBTGHQEA-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714273455 1179059179 /nfs/dbraw/zinc/05/91/79/1179059179.db2.gz HTQNIGCQSKDRIH-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001714326700 1179085001 /nfs/dbraw/zinc/08/50/01/1179085001.db2.gz JDUUJFRQVIILIG-KGLIPLIRSA-N 2 2 288.395 1.212 10 30 CDEELP C#CCC[NH+]1CCC(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001714330221 1179086675 /nfs/dbraw/zinc/08/66/75/1179086675.db2.gz GDVRWALBFHEOPK-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714448060 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10 30 CDEELP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001750929895 1184782867 /nfs/dbraw/zinc/78/28/67/1184782867.db2.gz QCJGSEAAJQBCPY-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001750929895 1184782875 /nfs/dbraw/zinc/78/28/75/1184782875.db2.gz QCJGSEAAJQBCPY-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1C#N ZINC000925841328 753882407 /nfs/dbraw/zinc/88/24/07/753882407.db2.gz QLKXCEGZTZJQMG-CZUORRHYSA-N 2 2 273.380 1.723 10 30 CDEELP CC(C)(O)C[NH+]1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848416968 756538375 /nfs/dbraw/zinc/53/83/75/756538375.db2.gz FZTVBUATDCEVDR-UHFFFAOYSA-N 2 2 293.415 1.086 10 30 CDEELP N#Cc1ccc(NCC[NH+]2CCC([NH3+])CC2)c(F)c1 ZINC000721961691 758478919 /nfs/dbraw/zinc/47/89/19/758478919.db2.gz MDAZUWRSPRPVDD-UHFFFAOYSA-N 2 2 262.332 1.532 10 30 CDEELP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000865533032 758735096 /nfs/dbraw/zinc/73/50/96/758735096.db2.gz VAHWJYDFMLKPDP-HNNXBMFYSA-N 2 2 295.390 1.925 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001565822422 1168049622 /nfs/dbraw/zinc/04/96/22/1168049622.db2.gz FYYJDHACDWYKML-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001565822422 1168049627 /nfs/dbraw/zinc/04/96/27/1168049627.db2.gz FYYJDHACDWYKML-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001567155591 1168600546 /nfs/dbraw/zinc/60/05/46/1168600546.db2.gz SOUAWPDWNPTYGI-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480880271 895151204 /nfs/dbraw/zinc/15/12/04/895151204.db2.gz VINCBUCAGVFFJF-UHFFFAOYSA-N 2 2 264.373 1.161 10 30 CDEELP C=CC[N@@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480880271 895151209 /nfs/dbraw/zinc/15/12/09/895151209.db2.gz VINCBUCAGVFFJF-UHFFFAOYSA-N 2 2 264.373 1.161 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267061925 896663469 /nfs/dbraw/zinc/66/34/69/896663469.db2.gz PYPCZZMIVUEUSG-KGLIPLIRSA-N 2 2 276.384 1.458 10 30 CDEELP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001267093878 896761244 /nfs/dbraw/zinc/76/12/44/896761244.db2.gz PSIPZFCQLGITHO-HUUCEWRRSA-N 2 2 288.395 1.314 10 30 CDEELP C#CCC[NH2+]CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268481577 902308304 /nfs/dbraw/zinc/30/83/04/902308304.db2.gz YTZCTQUCNJLIIT-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C#CCC[NH2+]C[C@@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001269631750 903997561 /nfs/dbraw/zinc/99/75/61/903997561.db2.gz ZMEYJHYUZDTQMI-MRXNPFEDSA-N 2 2 288.395 1.171 10 30 CDEELP C#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001270666579 904908898 /nfs/dbraw/zinc/90/88/98/904908898.db2.gz XXXFVJPBKCTIGF-SFHVURJKSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001270666579 904908908 /nfs/dbraw/zinc/90/89/08/904908908.db2.gz XXXFVJPBKCTIGF-SFHVURJKSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001270666579 904908915 /nfs/dbraw/zinc/90/89/15/904908915.db2.gz XXXFVJPBKCTIGF-SFHVURJKSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001270666579 904908925 /nfs/dbraw/zinc/90/89/25/904908925.db2.gz XXXFVJPBKCTIGF-SFHVURJKSA-N 2 2 299.418 1.332 10 30 CDEELP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001485216642 916660247 /nfs/dbraw/zinc/66/02/47/916660247.db2.gz NTTFOUUUMHFNAN-NEPJUHHUSA-N 2 2 278.400 1.710 10 30 CDEELP C#CC[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001485728278 917239858 /nfs/dbraw/zinc/23/98/58/917239858.db2.gz XEZXDRKFAYRQJH-CYBMUJFWSA-N 2 2 289.379 1.140 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001485885331 920545354 /nfs/dbraw/zinc/54/53/54/920545354.db2.gz OTODSSXEJCNYQJ-ZDUSSCGKSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001485885331 920545366 /nfs/dbraw/zinc/54/53/66/920545366.db2.gz OTODSSXEJCNYQJ-ZDUSSCGKSA-N 2 2 278.400 1.745 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001490302513 927094131 /nfs/dbraw/zinc/09/41/31/927094131.db2.gz IEFZVQFTKWMLHQ-KBPBESRZSA-N 2 2 288.395 1.335 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001275613104 931907533 /nfs/dbraw/zinc/90/75/33/931907533.db2.gz CGFHZOLAMAEHNK-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001275613104 931907536 /nfs/dbraw/zinc/90/75/36/931907536.db2.gz CGFHZOLAMAEHNK-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCCC[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265790341 944509958 /nfs/dbraw/zinc/50/99/58/944509958.db2.gz KVEWNMGYEINMDW-CYBMUJFWSA-N 2 2 292.427 1.987 10 30 CDEELP C#CCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001278662939 951227405 /nfs/dbraw/zinc/22/74/05/951227405.db2.gz WOFDAJXIJMTQKK-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480649796 971824293 /nfs/dbraw/zinc/82/42/93/971824293.db2.gz YQIGYSFBKMNQOR-MGPQQGTHSA-N 2 2 288.395 1.527 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480649796 971824298 /nfs/dbraw/zinc/82/42/98/971824298.db2.gz YQIGYSFBKMNQOR-MGPQQGTHSA-N 2 2 288.395 1.527 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480666633 971830366 /nfs/dbraw/zinc/83/03/66/971830366.db2.gz XSHJGAYUUMQFDD-BFHYXJOUSA-N 2 2 288.395 1.148 10 30 CDEELP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329955141 956200102 /nfs/dbraw/zinc/20/01/02/956200102.db2.gz YRXXRSADKGBRTC-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329955141 956200105 /nfs/dbraw/zinc/20/01/05/956200105.db2.gz YRXXRSADKGBRTC-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001331333579 956975509 /nfs/dbraw/zinc/97/55/09/956975509.db2.gz MTNKTZWNYAKDBB-IUODEOHRSA-N 2 2 288.395 1.048 10 30 CDEELP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001331333579 956975515 /nfs/dbraw/zinc/97/55/15/956975515.db2.gz MTNKTZWNYAKDBB-IUODEOHRSA-N 2 2 288.395 1.048 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317144779 957302921 /nfs/dbraw/zinc/30/29/21/957302921.db2.gz UNIVRBRHPFDCSR-ZDUSSCGKSA-N 2 2 276.384 1.275 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317144779 957302930 /nfs/dbraw/zinc/30/29/30/957302930.db2.gz UNIVRBRHPFDCSR-ZDUSSCGKSA-N 2 2 276.384 1.275 10 30 CDEELP CC#CC[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317247153 957377278 /nfs/dbraw/zinc/37/72/78/957377278.db2.gz NTMIYKZPQWRAAY-NSHDSACASA-N 2 2 270.336 1.294 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317330093 957425639 /nfs/dbraw/zinc/42/56/39/957425639.db2.gz JDFJEKPQVIRYDG-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317853451 957693660 /nfs/dbraw/zinc/69/36/60/957693660.db2.gz LLZVEDOJQDFKKY-CABCVRRESA-N 2 2 290.411 1.801 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317853451 957693698 /nfs/dbraw/zinc/69/36/98/957693698.db2.gz LLZVEDOJQDFKKY-CABCVRRESA-N 2 2 290.411 1.801 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001332859199 957892455 /nfs/dbraw/zinc/89/24/55/957892455.db2.gz GRDHZKTXYGESNF-CYBMUJFWSA-N 2 2 276.384 1.096 10 30 CDEELP C#CC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC001318656578 958218155 /nfs/dbraw/zinc/21/81/55/958218155.db2.gz VQQSIZCNFCAYSS-CQSZACIVSA-N 2 2 288.395 1.486 10 30 CDEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001319619459 958658822 /nfs/dbraw/zinc/65/88/22/958658822.db2.gz KXCUIEVAJSXPMB-MGPQQGTHSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001319619459 958658836 /nfs/dbraw/zinc/65/88/36/958658836.db2.gz KXCUIEVAJSXPMB-MGPQQGTHSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322191205 960126953 /nfs/dbraw/zinc/12/69/53/960126953.db2.gz ASTUCGOPFBKNSM-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322191205 960126959 /nfs/dbraw/zinc/12/69/59/960126959.db2.gz ASTUCGOPFBKNSM-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322701460 960299845 /nfs/dbraw/zinc/29/98/45/960299845.db2.gz ZCWDZLRSVPTOPL-CHWSQXEVSA-N 2 2 276.384 1.148 10 30 CDEELP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001323305203 960634271 /nfs/dbraw/zinc/63/42/71/960634271.db2.gz ZTNJTIMYQYCMDZ-XJKSGUPXSA-N 2 2 297.418 1.575 10 30 CDEELP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001323305203 960634279 /nfs/dbraw/zinc/63/42/79/960634279.db2.gz ZTNJTIMYQYCMDZ-XJKSGUPXSA-N 2 2 297.418 1.575 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323305203 960634291 /nfs/dbraw/zinc/63/42/91/960634291.db2.gz ZTNJTIMYQYCMDZ-XJKSGUPXSA-N 2 2 297.418 1.575 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323305203 960634295 /nfs/dbraw/zinc/63/42/95/960634295.db2.gz ZTNJTIMYQYCMDZ-XJKSGUPXSA-N 2 2 297.418 1.575 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001324085323 961157120 /nfs/dbraw/zinc/15/71/20/961157120.db2.gz CDJVBUUMRNKCNI-ZIAGYGMSSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325616 963724087 /nfs/dbraw/zinc/72/40/87/963724087.db2.gz LETGEIRAAJOJLD-JSGCOSHPSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325616 963724096 /nfs/dbraw/zinc/72/40/96/963724096.db2.gz LETGEIRAAJOJLD-JSGCOSHPSA-N 2 2 299.846 1.517 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497218463 973250036 /nfs/dbraw/zinc/25/00/36/973250036.db2.gz PVAFCTZCEFCCSQ-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502125787 974701450 /nfs/dbraw/zinc/70/14/50/974701450.db2.gz KNUOSHLLXGSAHQ-CYBMUJFWSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502125787 974701453 /nfs/dbraw/zinc/70/14/53/974701453.db2.gz KNUOSHLLXGSAHQ-CYBMUJFWSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502125787 974701457 /nfs/dbraw/zinc/70/14/57/974701457.db2.gz KNUOSHLLXGSAHQ-CYBMUJFWSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502125787 974701460 /nfs/dbraw/zinc/70/14/60/974701460.db2.gz KNUOSHLLXGSAHQ-CYBMUJFWSA-N 2 2 276.384 1.499 10 30 CDEELP C#CC[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001505505529 974896927 /nfs/dbraw/zinc/89/69/27/974896927.db2.gz MEVIKFVWWQBMDI-UHFFFAOYSA-N 2 2 282.347 1.294 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001506026952 975092969 /nfs/dbraw/zinc/09/29/69/975092969.db2.gz BEPGRWRPHAPPKO-OLZOCXBDSA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001506026952 975092977 /nfs/dbraw/zinc/09/29/77/975092977.db2.gz BEPGRWRPHAPPKO-OLZOCXBDSA-N 2 2 278.400 1.743 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406119983 976021289 /nfs/dbraw/zinc/02/12/89/976021289.db2.gz YYFGCXACVBQCMA-UHFFFAOYSA-N 2 2 284.791 1.334 10 30 CDEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406119983 976021302 /nfs/dbraw/zinc/02/13/02/976021302.db2.gz YYFGCXACVBQCMA-UHFFFAOYSA-N 2 2 284.791 1.334 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001571633109 1170502766 /nfs/dbraw/zinc/50/27/66/1170502766.db2.gz IJNIYFYIDWHNSE-CYBMUJFWSA-N 2 2 276.384 1.096 10 30 CDEELP C[C@@H]1C[C@H](C)[N@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495489 342696999 /nfs/dbraw/zinc/69/69/99/342696999.db2.gz JGGQRNZCRDBNIB-TYNCELHUSA-N 2 2 258.369 1.758 10 30 CDEELP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495489 342697000 /nfs/dbraw/zinc/69/70/00/342697000.db2.gz JGGQRNZCRDBNIB-TYNCELHUSA-N 2 2 258.369 1.758 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000594446331 342908662 /nfs/dbraw/zinc/90/86/62/342908662.db2.gz QVLFWDUUKIOGKW-CYBMUJFWSA-N 2 2 285.351 1.362 10 30 CDEELP COc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1C#N ZINC000600776238 349880203 /nfs/dbraw/zinc/88/02/03/349880203.db2.gz QDLJPAHFUCVUPI-RISCZKNCSA-N 2 2 259.353 1.797 10 30 CDEELP C=CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186701962 355965841 /nfs/dbraw/zinc/96/58/41/355965841.db2.gz ISJHXFSLGODBIP-INIZCTEOSA-N 2 2 275.396 1.573 10 30 CDEELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581491731 363997460 /nfs/dbraw/zinc/99/74/60/363997460.db2.gz FUCNNODFTVLHFB-ZDUSSCGKSA-N 2 2 288.351 1.850 10 30 CDEELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581491731 363997469 /nfs/dbraw/zinc/99/74/69/363997469.db2.gz FUCNNODFTVLHFB-ZDUSSCGKSA-N 2 2 288.351 1.850 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])nn1 ZINC000655942017 412952922 /nfs/dbraw/zinc/95/29/22/412952922.db2.gz IUPGRWKUZJLMIC-HIFRSBDPSA-N 2 2 277.416 1.804 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])nn1 ZINC000655942017 412952927 /nfs/dbraw/zinc/95/29/27/412952927.db2.gz IUPGRWKUZJLMIC-HIFRSBDPSA-N 2 2 277.416 1.804 10 30 CDEELP C=CCCn1cc(C[NH2+][C@](C)(C[NH3+])C(C)C)nn1 ZINC000655938301 412956094 /nfs/dbraw/zinc/95/60/94/412956094.db2.gz RJTVDYVHJDXBNF-CYBMUJFWSA-N 2 2 251.378 1.317 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001663005308 1172626865 /nfs/dbraw/zinc/62/68/65/1172626865.db2.gz UNQWWIPQEAGVAC-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP CCC[NH+]1CCC(CNC(=O)NCc2[nH+]ccn2C)CC1 ZINC000330557537 391441146 /nfs/dbraw/zinc/44/11/46/391441146.db2.gz GGSWPSXPFBKLER-UHFFFAOYSA-N 2 2 293.415 1.546 10 30 CDEELP C=CC[C@]1(C(=O)NCc2ccc[nH+]c2N(C)C)CCC[NH2+]1 ZINC000662680499 413304149 /nfs/dbraw/zinc/30/41/49/413304149.db2.gz WDJRGFRGGOPEDU-MRXNPFEDSA-N 2 2 288.395 1.462 10 30 CDEELP CCN(CC)C(=O)C[N@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683960 175092412 /nfs/dbraw/zinc/09/24/12/175092412.db2.gz YJWZUCCWQKWRDB-UHFFFAOYSA-N 2 2 293.436 1.359 10 30 CDEELP CCN(CC)C(=O)C[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683960 175092414 /nfs/dbraw/zinc/09/24/14/175092414.db2.gz YJWZUCCWQKWRDB-UHFFFAOYSA-N 2 2 293.436 1.359 10 30 CDEELP CCN[C@](C)(C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000045181002 175324629 /nfs/dbraw/zinc/32/46/29/175324629.db2.gz QGQDIATWXDQOOO-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000045182843 175325563 /nfs/dbraw/zinc/32/55/63/175325563.db2.gz CAZTVFHCYLNNNM-HNNXBMFYSA-N 2 2 266.433 1.684 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@H+](CCCOC)CCOC ZINC000045317050 175357707 /nfs/dbraw/zinc/35/77/07/175357707.db2.gz IEYKEPHAQJBJTP-OAHLLOKOSA-N 2 2 285.432 1.643 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@@H+](CCCOC)CCOC ZINC000045317050 175357709 /nfs/dbraw/zinc/35/77/09/175357709.db2.gz IEYKEPHAQJBJTP-OAHLLOKOSA-N 2 2 285.432 1.643 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001674001966 1173904340 /nfs/dbraw/zinc/90/43/40/1173904340.db2.gz PSKYSOZKHFAECY-UHFFFAOYSA-N 2 2 262.357 1.040 10 30 CDEELP CC[NH+]=C(NCC(C)(C)C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175525351 329169253 /nfs/dbraw/zinc/16/92/53/329169253.db2.gz VTSJYORYVDAZEY-CQSZACIVSA-N 2 2 296.459 1.405 10 30 CDEELP C[C@H]1C[NH+]=C(NCc2cccc(Cn3cc[nH+]c3)c2)N1 ZINC000262686863 330027234 /nfs/dbraw/zinc/02/72/34/330027234.db2.gz YQTWZWLZMCYYHZ-LBPRGKRZSA-N 2 2 269.352 1.369 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000068613605 520032263 /nfs/dbraw/zinc/03/22/63/520032263.db2.gz BHWGIRXXGILOPU-GDBMZVCRSA-N 2 2 278.444 1.827 10 30 CDEELP C[NH+](C)C1CC[NH+](CC[C@H](C#N)NC2CC2)CC1 ZINC000062434967 524040470 /nfs/dbraw/zinc/04/04/70/524040470.db2.gz FTDYCJGBNPYIQS-CYBMUJFWSA-N 2 2 250.390 1.047 10 30 CDEELP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049239605 524790412 /nfs/dbraw/zinc/79/04/12/524790412.db2.gz FYWNAZSJOZVAIT-CYBMUJFWSA-N 2 2 282.347 1.012 10 30 CDEELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cc(C#N)ccc1F ZINC000062802813 524835825 /nfs/dbraw/zinc/83/58/25/524835825.db2.gz SOKRWXFSFUXAOA-JTQLQIEISA-N 2 2 258.300 1.832 10 30 CDEELP C[C@@H]1C[N@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049608499 524990092 /nfs/dbraw/zinc/99/00/92/524990092.db2.gz NXTFSDQLVAPONG-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C[C@@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049608499 524990104 /nfs/dbraw/zinc/99/01/04/524990104.db2.gz NXTFSDQLVAPONG-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C#CC[NH+](CC#C)Cc1cccc(C[NH+](CC#C)CC#C)c1 ZINC000752302312 577098735 /nfs/dbraw/zinc/09/87/35/577098735.db2.gz HAWYMPDPGHHWEM-UHFFFAOYSA-N 2 2 288.394 1.823 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689909285 1175302400 /nfs/dbraw/zinc/30/24/00/1175302400.db2.gz NCZYUXJRPCDGRM-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130610 613521644 /nfs/dbraw/zinc/52/16/44/613521644.db2.gz UGOTVZNJLHFYBJ-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130610 613521647 /nfs/dbraw/zinc/52/16/47/613521647.db2.gz UGOTVZNJLHFYBJ-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001569008251 1169592375 /nfs/dbraw/zinc/59/23/75/1169592375.db2.gz JXMKHKNPPSYWLC-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001569030086 1169603695 /nfs/dbraw/zinc/60/36/95/1169603695.db2.gz COPKKIFYHAGXKL-QWHCGFSZSA-N 2 2 278.400 1.412 10 30 CDEELP C#CCC[N@@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001570203414 1170111302 /nfs/dbraw/zinc/11/13/02/1170111302.db2.gz VXFYLHQDEJJZNI-UHFFFAOYSA-N 2 2 298.390 1.752 10 30 CDEELP C#CCC[N@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001570203414 1170111309 /nfs/dbraw/zinc/11/13/09/1170111309.db2.gz VXFYLHQDEJJZNI-UHFFFAOYSA-N 2 2 298.390 1.752 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001571277997 1170359401 /nfs/dbraw/zinc/35/94/01/1170359401.db2.gz UFDZQZGONUCALE-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571545698 1170472662 /nfs/dbraw/zinc/47/26/62/1170472662.db2.gz FVJZKUMZVUWNBX-QWHCGFSZSA-N 2 2 276.384 1.403 10 30 CDEELP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001656448559 1171825856 /nfs/dbraw/zinc/82/58/56/1171825856.db2.gz RSGSVEKTKBLJGK-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001661254770 1172360592 /nfs/dbraw/zinc/36/05/92/1172360592.db2.gz SKZHXRUPLCYSBV-ZNMIVQPWSA-N 2 2 297.418 1.528 10 30 CDEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001661254770 1172360597 /nfs/dbraw/zinc/36/05/97/1172360597.db2.gz SKZHXRUPLCYSBV-ZNMIVQPWSA-N 2 2 297.418 1.528 10 30 CDEELP C#CC[N@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001663395869 1172686374 /nfs/dbraw/zinc/68/63/74/1172686374.db2.gz BKEILWRNPKAJLW-UHFFFAOYSA-N 2 2 270.336 1.248 10 30 CDEELP C#CC[N@@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001663395869 1172686377 /nfs/dbraw/zinc/68/63/77/1172686377.db2.gz BKEILWRNPKAJLW-UHFFFAOYSA-N 2 2 270.336 1.248 10 30 CDEELP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001672400414 1173770548 /nfs/dbraw/zinc/77/05/48/1173770548.db2.gz BLRMLRQBCBCUMW-UHFFFAOYSA-N 2 2 296.374 1.135 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001698733169 1175907662 /nfs/dbraw/zinc/90/76/62/1175907662.db2.gz NAMAXZFDSQPVMG-ZIAGYGMSSA-N 2 2 274.368 1.048 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699133284 1176106241 /nfs/dbraw/zinc/10/62/41/1176106241.db2.gz OAGGFOFJPSSXLS-YNEHKIRRSA-N 2 2 276.384 1.194 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001699587960 1176487424 /nfs/dbraw/zinc/48/74/24/1176487424.db2.gz HFUUFFYLLJAKTR-UKRRQHHQSA-N 2 2 288.395 1.342 10 30 CDEELP C=C(C)C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001699867350 1176660796 /nfs/dbraw/zinc/66/07/96/1176660796.db2.gz XVMOSWKGEDMIEX-UHFFFAOYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001701025279 1177245322 /nfs/dbraw/zinc/24/53/22/1177245322.db2.gz PRZYXLGGPGORFK-UHFFFAOYSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713356191 1178518226 /nfs/dbraw/zinc/51/82/26/1178518226.db2.gz YAVZGCRLSRXZCX-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001713881578 1178812696 /nfs/dbraw/zinc/81/26/96/1178812696.db2.gz HXXKZMGCAYVCJI-AWEZNQCLSA-N 2 2 276.384 1.023 10 30 CDEELP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714156311 1178995056 /nfs/dbraw/zinc/99/50/56/1178995056.db2.gz NTCIAHVRZXCAJD-JSGCOSHPSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714156311 1178995059 /nfs/dbraw/zinc/99/50/59/1178995059.db2.gz NTCIAHVRZXCAJD-JSGCOSHPSA-N 2 2 288.395 1.111 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001714475798 1179160795 /nfs/dbraw/zinc/16/07/95/1179160795.db2.gz SVWISVITWPLEFT-CYBMUJFWSA-N 2 2 292.427 1.987 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001714882115 1179435275 /nfs/dbraw/zinc/43/52/75/1179435275.db2.gz MCNOXSSWYKGGBS-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001714882115 1179435278 /nfs/dbraw/zinc/43/52/78/1179435278.db2.gz MCNOXSSWYKGGBS-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001715479393 1179677294 /nfs/dbraw/zinc/67/72/94/1179677294.db2.gz VBGGNHBVPQSSFC-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[NH2+]C/C=C/CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715830300 1179853809 /nfs/dbraw/zinc/85/38/09/1179853809.db2.gz AJZVRWKXEVEQSX-BQYQJAHWSA-N 2 2 288.395 1.212 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001716074578 1180031464 /nfs/dbraw/zinc/03/14/64/1180031464.db2.gz BEGHENXCJJCENQ-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716349855 1180164062 /nfs/dbraw/zinc/16/40/62/1180164062.db2.gz XILAHKDHOZQSLD-NNTXTVRGSA-N 2 2 276.384 1.672 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001716616164 1180307698 /nfs/dbraw/zinc/30/76/98/1180307698.db2.gz IDEZGDQPNWVOSJ-ZDUSSCGKSA-N 2 2 282.347 1.066 10 30 CDEELP C#CCC[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001717721723 1180806339 /nfs/dbraw/zinc/80/63/39/1180806339.db2.gz LREKFHFERUUYQU-CQSZACIVSA-N 2 2 276.384 1.096 10 30 CDEELP C=CCC[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001717984701 1180957590 /nfs/dbraw/zinc/95/75/90/1180957590.db2.gz JYXHPSZNUCVKPS-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001717997652 1180963318 /nfs/dbraw/zinc/96/33/18/1180963318.db2.gz AZKOQUPVCYFAFE-UHFFFAOYSA-N 2 2 262.357 1.107 10 30 CDEELP C#CCC[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001731920958 1182679487 /nfs/dbraw/zinc/67/94/87/1182679487.db2.gz PFZDAHAKMRVDSA-HNNXBMFYSA-N 2 2 290.411 1.542 10 30 CDEELP C#CC[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001731938020 1182687243 /nfs/dbraw/zinc/68/72/43/1182687243.db2.gz VROJDACTANZIHT-UHFFFAOYSA-N 2 2 282.347 1.167 10 30 CDEELP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001732004487 1182720385 /nfs/dbraw/zinc/72/03/85/1182720385.db2.gz SBGDYJLXKTVRGN-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001732217429 1182863734 /nfs/dbraw/zinc/86/37/34/1182863734.db2.gz 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C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001366353497 956766453 /nfs/dbraw/zinc/76/64/53/956766453.db2.gz ZYOAZOCJPOVVOV-NWDGAFQWSA-N 2 2 284.791 1.681 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317058793 957236654 /nfs/dbraw/zinc/23/66/54/957236654.db2.gz DIEXZZYTPJUACD-ZDUSSCGKSA-N 2 2 284.363 1.715 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001317281085 957401102 /nfs/dbraw/zinc/40/11/02/957401102.db2.gz OMTXADZIBJWYSD-NEPJUHHUSA-N 2 2 264.373 1.401 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317853452 957695949 /nfs/dbraw/zinc/69/59/49/957695949.db2.gz LLZVEDOJQDFKKY-GJZGRUSLSA-N 2 2 290.411 1.801 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317853452 957695954 /nfs/dbraw/zinc/69/59/54/957695954.db2.gz LLZVEDOJQDFKKY-GJZGRUSLSA-N 2 2 290.411 1.801 10 30 CDEELP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001318161349 957951955 /nfs/dbraw/zinc/95/19/55/957951955.db2.gz ICUOVCBDYUSIFW-ZDUSSCGKSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001318161349 957951968 /nfs/dbraw/zinc/95/19/68/957951968.db2.gz ICUOVCBDYUSIFW-ZDUSSCGKSA-N 2 2 290.411 1.603 10 30 CDEELP C#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001495280808 972462814 /nfs/dbraw/zinc/46/28/14/972462814.db2.gz JXKPCHNVTHQULW-WBMJQRKESA-N 2 2 288.395 1.096 10 30 CDEELP C#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001495280808 972462823 /nfs/dbraw/zinc/46/28/23/972462823.db2.gz JXKPCHNVTHQULW-WBMJQRKESA-N 2 2 288.395 1.096 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001492978275 961082300 /nfs/dbraw/zinc/08/23/00/961082300.db2.gz QHYAECLKOQXEMZ-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001448871055 967287766 /nfs/dbraw/zinc/28/77/66/967287766.db2.gz FLYYGNSPDNZQBP-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001448871055 967287777 /nfs/dbraw/zinc/28/77/77/967287777.db2.gz FLYYGNSPDNZQBP-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001480546531 970066907 /nfs/dbraw/zinc/06/69/07/970066907.db2.gz PTUJUIQPROAEGQ-STQMWFEESA-N 2 2 264.373 1.505 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001496357640 972896674 /nfs/dbraw/zinc/89/66/74/972896674.db2.gz MDFIQJRUHLKUIF-TZMCWYRMSA-N 2 2 276.384 1.355 10 30 CDEELP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492678 972939732 /nfs/dbraw/zinc/93/97/32/972939732.db2.gz XKQYSDCQUGFUKB-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001496886482 973134634 /nfs/dbraw/zinc/13/46/34/973134634.db2.gz GHPMDZYSFWQDPG-DZGCQCFKSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001496886482 973134637 /nfs/dbraw/zinc/13/46/37/973134637.db2.gz GHPMDZYSFWQDPG-DZGCQCFKSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001498847165 974075931 /nfs/dbraw/zinc/07/59/31/974075931.db2.gz OQYVFPBDQXFZQL-LBPRGKRZSA-N 2 2 262.357 1.013 10 30 CDEELP C#CCC[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001500294787 974416815 /nfs/dbraw/zinc/41/68/15/974416815.db2.gz CKJVGUSKNQPNRK-MRXNPFEDSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001500294787 974416818 /nfs/dbraw/zinc/41/68/18/974416818.db2.gz CKJVGUSKNQPNRK-MRXNPFEDSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001501573959 974601775 /nfs/dbraw/zinc/60/17/75/974601775.db2.gz DNLKEVNAIGCPAS-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001501573959 974601777 /nfs/dbraw/zinc/60/17/77/974601777.db2.gz DNLKEVNAIGCPAS-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001505634643 974945215 /nfs/dbraw/zinc/94/52/15/974945215.db2.gz ZALGWSKRUQBHAY-CHWSQXEVSA-N 2 2 278.400 1.595 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001507420251 975461462 /nfs/dbraw/zinc/46/14/62/975461462.db2.gz DRBYLQXPAYJHMD-UONOGXRCSA-N 2 2 276.384 1.334 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C)C(C)(C)C ZINC001507960354 975571234 /nfs/dbraw/zinc/57/12/34/975571234.db2.gz BXIXUAKJNNIDCB-GJZGRUSLSA-N 2 2 291.439 1.391 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C)C(C)(C)C ZINC001507960354 975571248 /nfs/dbraw/zinc/57/12/48/975571248.db2.gz BXIXUAKJNNIDCB-GJZGRUSLSA-N 2 2 291.439 1.391 10 30 CDEELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001399153804 976362232 /nfs/dbraw/zinc/36/22/32/976362232.db2.gz FNLWKPSWOUXQHX-CYBMUJFWSA-N 2 2 297.362 1.049 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001402846719 976527867 /nfs/dbraw/zinc/52/78/67/976527867.db2.gz GXQADXAKFQKBGM-JQWIXIFHSA-N 2 2 298.818 1.825 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001402846719 976527874 /nfs/dbraw/zinc/52/78/74/976527874.db2.gz GXQADXAKFQKBGM-JQWIXIFHSA-N 2 2 298.818 1.825 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001569819767 1170006268 /nfs/dbraw/zinc/00/62/68/1170006268.db2.gz CWQUTDOYSQBOHS-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001675458489 1174116842 /nfs/dbraw/zinc/11/68/42/1174116842.db2.gz LTUUXNGHSURXOT-CYBMUJFWSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001676878990 1174284335 /nfs/dbraw/zinc/28/43/35/1174284335.db2.gz KFPISVCWXBJHPF-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001676878990 1174284341 /nfs/dbraw/zinc/28/43/41/1174284341.db2.gz KFPISVCWXBJHPF-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C#CCC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001677222673 1174336867 /nfs/dbraw/zinc/33/68/67/1174336867.db2.gz HAAHVVVGZRYKPB-UHFFFAOYSA-N 2 2 276.384 1.075 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001571629008 1170501539 /nfs/dbraw/zinc/50/15/39/1170501539.db2.gz BRTIAWPRLCBZCY-ZDUSSCGKSA-N 2 2 290.411 1.106 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC000592525601 342702987 /nfs/dbraw/zinc/70/29/87/342702987.db2.gz AQZYNDGJRRQKQA-UHFFFAOYSA-N 2 2 291.420 1.916 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC000592525601 342702988 /nfs/dbraw/zinc/70/29/88/342702988.db2.gz AQZYNDGJRRQKQA-UHFFFAOYSA-N 2 2 291.420 1.916 10 30 CDEELP N#Cc1csc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000573491678 361887511 /nfs/dbraw/zinc/88/75/11/361887511.db2.gz BXUCNLWXBVSDAO-MRVPVSSYSA-N 2 2 259.338 1.385 10 30 CDEELP N#Cc1csc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000573491678 361887516 /nfs/dbraw/zinc/88/75/16/361887516.db2.gz BXUCNLWXBVSDAO-MRVPVSSYSA-N 2 2 259.338 1.385 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000594441049 342907496 /nfs/dbraw/zinc/90/74/96/342907496.db2.gz LRFCHSICOMWYJD-ZDUSSCGKSA-N 2 2 289.383 1.411 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000600734428 342245989 /nfs/dbraw/zinc/24/59/89/342245989.db2.gz PIBCGYFOAZMYSF-GJZGRUSLSA-N 2 2 277.412 1.648 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000600734428 342245990 /nfs/dbraw/zinc/24/59/90/342245990.db2.gz PIBCGYFOAZMYSF-GJZGRUSLSA-N 2 2 277.412 1.648 10 30 CDEELP Cc1cc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C#N)c[nH+]1 ZINC000600955602 349894186 /nfs/dbraw/zinc/89/41/86/349894186.db2.gz DMASCSNDWHVGLZ-GASCZTMLSA-N 2 2 256.353 1.698 10 30 CDEELP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017121 374005456 /nfs/dbraw/zinc/00/54/56/374005456.db2.gz CHLPZLLIKLMWIA-CYBMUJFWSA-N 2 2 267.417 1.483 10 30 CDEELP C=C(C)CC[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC001663461645 1172698753 /nfs/dbraw/zinc/69/87/53/1172698753.db2.gz OMFCJSWYMPZYTQ-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=C(C)CC[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC001663461645 1172698757 /nfs/dbraw/zinc/69/87/57/1172698757.db2.gz OMFCJSWYMPZYTQ-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=CC[C@@]1(C(=O)NCc2[nH+]ccn2CC(C)C)CCC[NH2+]1 ZINC000662743465 413416308 /nfs/dbraw/zinc/41/63/08/413416308.db2.gz NNCLHENLRJPRDO-INIZCTEOSA-N 2 2 290.411 1.854 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000037257434 173068570 /nfs/dbraw/zinc/06/85/70/173068570.db2.gz JDSVGKVXPOJKPV-MRXNPFEDSA-N 2 2 258.365 1.407 10 30 CDEELP N#Cc1ccccc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750232 174395205 /nfs/dbraw/zinc/39/52/05/174395205.db2.gz UIGMYGLDXHCLPR-AGUYFDCRSA-N 2 2 284.363 1.451 10 30 CDEELP N#Cc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750232 174395206 /nfs/dbraw/zinc/39/52/06/174395206.db2.gz UIGMYGLDXHCLPR-AGUYFDCRSA-N 2 2 284.363 1.451 10 30 CDEELP C[N@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)C1CCOCC1 ZINC000045311829 175356471 /nfs/dbraw/zinc/35/64/71/175356471.db2.gz HUFVNXDFUSIRET-HNNXBMFYSA-N 2 2 265.401 1.912 10 30 CDEELP C[N@@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)C1CCOCC1 ZINC000045311829 175356474 /nfs/dbraw/zinc/35/64/74/175356474.db2.gz HUFVNXDFUSIRET-HNNXBMFYSA-N 2 2 265.401 1.912 10 30 CDEELP CC[N@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)CCOC ZINC000045316890 175357944 /nfs/dbraw/zinc/35/79/44/175357944.db2.gz BJWABUDPKVVZNM-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP CC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)CCOC ZINC000045316890 175357945 /nfs/dbraw/zinc/35/79/45/175357945.db2.gz BJWABUDPKVVZNM-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[NH+](CCOC)CCOC ZINC000045318564 175359227 /nfs/dbraw/zinc/35/92/27/175359227.db2.gz NOUNFDJNFLQUJB-HNNXBMFYSA-N 2 2 285.432 1.643 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001668229693 1173385201 /nfs/dbraw/zinc/38/52/01/1173385201.db2.gz RKKIEJASLCCVFN-ZIAGYGMSSA-N 2 2 278.400 1.895 10 30 CDEELP Cn1cc[nH+]c1CN1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000336843709 327946768 /nfs/dbraw/zinc/94/67/68/327946768.db2.gz XVOKIUBJTGNJLH-UHFFFAOYSA-N 2 2 289.427 1.868 10 30 CDEELP C#CCC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001673439527 1173857076 /nfs/dbraw/zinc/85/70/76/1173857076.db2.gz WNNYJQGZLFICIH-UHFFFAOYSA-N 2 2 276.384 1.146 10 30 CDEELP C#CCC[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001673439527 1173857081 /nfs/dbraw/zinc/85/70/81/1173857081.db2.gz WNNYJQGZLFICIH-UHFFFAOYSA-N 2 2 276.384 1.146 10 30 CDEELP C#CCC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001673439527 1173857082 /nfs/dbraw/zinc/85/70/82/1173857082.db2.gz WNNYJQGZLFICIH-UHFFFAOYSA-N 2 2 276.384 1.146 10 30 CDEELP C#CCC[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001673439527 1173857087 /nfs/dbraw/zinc/85/70/87/1173857087.db2.gz WNNYJQGZLFICIH-UHFFFAOYSA-N 2 2 276.384 1.146 10 30 CDEELP C[C@H]1CN(C(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000262425556 330009802 /nfs/dbraw/zinc/00/98/02/330009802.db2.gz CJEMYACVCDUMFL-NWDGAFQWSA-N 2 2 296.440 1.386 10 30 CDEELP CC#CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000155759900 330697540 /nfs/dbraw/zinc/69/75/40/330697540.db2.gz DXQFCKVTCKMGJY-UHFFFAOYSA-N 2 2 273.384 1.078 10 30 CDEELP CC(C)N[C@H](C#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000062369289 519737677 /nfs/dbraw/zinc/73/76/77/519737677.db2.gz DBLXEPDYMHLFMF-ZDUSSCGKSA-N 2 2 252.406 1.293 10 30 CDEELP CC(C)N[C@H](C#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000062369289 519737676 /nfs/dbraw/zinc/73/76/76/519737676.db2.gz DBLXEPDYMHLFMF-ZDUSSCGKSA-N 2 2 252.406 1.293 10 30 CDEELP CCC[NH2+][C@](C#N)(CN(C)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000069083584 520100370 /nfs/dbraw/zinc/10/03/70/520100370.db2.gz CDCVSNGRHLDOGW-GDBMZVCRSA-N 2 2 278.444 1.542 10 30 CDEELP CCC[NH2+][C@](C#N)(CN(C)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000069083584 520100375 /nfs/dbraw/zinc/10/03/75/520100375.db2.gz CDCVSNGRHLDOGW-GDBMZVCRSA-N 2 2 278.444 1.542 10 30 CDEELP CC1(C)COCC[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609896 520505501 /nfs/dbraw/zinc/50/55/01/520505501.db2.gz FLCQHLLKRWAILF-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP CC1(C)COCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609896 520505506 /nfs/dbraw/zinc/50/55/06/520505506.db2.gz FLCQHLLKRWAILF-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP C[C@H]1C[N@H+](Cc2ccc(F)cc2C#CC[NH3+])CCO1 ZINC000049608504 524619302 /nfs/dbraw/zinc/61/93/02/524619302.db2.gz RWLFQQNAVUUKKQ-LBPRGKRZSA-N 2 2 262.328 1.357 10 30 CDEELP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])CCO1 ZINC000049608504 524619310 /nfs/dbraw/zinc/61/93/10/524619310.db2.gz RWLFQQNAVUUKKQ-LBPRGKRZSA-N 2 2 262.328 1.357 10 30 CDEELP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690199100 1175403003 /nfs/dbraw/zinc/40/30/03/1175403003.db2.gz JWZYXAADUNIPIF-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690199100 1175403011 /nfs/dbraw/zinc/40/30/11/1175403011.db2.gz JWZYXAADUNIPIF-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(C#N)ccn1 ZINC000902720010 625263065 /nfs/dbraw/zinc/26/30/65/625263065.db2.gz BLRQFONWSVFAAG-LBPRGKRZSA-N 2 2 255.325 1.891 10 30 CDEELP N#Cc1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000905292965 626721657 /nfs/dbraw/zinc/72/16/57/626721657.db2.gz AYSVNNBLIHAYCI-UHFFFAOYSA-N 2 2 287.367 1.103 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907903442 627894592 /nfs/dbraw/zinc/89/45/92/627894592.db2.gz ABFUKQPHQZTSKM-UHFFFAOYSA-N 2 2 258.325 1.781 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691146314 1158932235 /nfs/dbraw/zinc/93/22/35/1158932235.db2.gz RZTUNJXLUHPFOE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691146314 1158932237 /nfs/dbraw/zinc/93/22/37/1158932237.db2.gz RZTUNJXLUHPFOE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691146314 1158932240 /nfs/dbraw/zinc/93/22/40/1158932240.db2.gz RZTUNJXLUHPFOE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691146314 1158932245 /nfs/dbraw/zinc/93/22/45/1158932245.db2.gz RZTUNJXLUHPFOE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cnc3cnccn23)CC1 ZINC001649106412 1161380231 /nfs/dbraw/zinc/38/02/31/1161380231.db2.gz FBOXDHCTGXPXJR-UHFFFAOYSA-N 2 2 271.368 1.469 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001568452968 1169294968 /nfs/dbraw/zinc/29/49/68/1169294968.db2.gz MDFBFYQWYDSLJJ-MGPQQGTHSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001568452968 1169294979 /nfs/dbraw/zinc/29/49/79/1169294979.db2.gz MDFBFYQWYDSLJJ-MGPQQGTHSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001569546661 1169918261 /nfs/dbraw/zinc/91/82/61/1169918261.db2.gz SJRZHYSMBKDZRS-ZFWWWQNUSA-N 2 2 288.395 1.212 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001674687273 1173988678 /nfs/dbraw/zinc/98/86/78/1173988678.db2.gz OFNAOIGXOXLQMJ-ZIAGYGMSSA-N 2 2 290.411 1.433 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690666077 1175541251 /nfs/dbraw/zinc/54/12/51/1175541251.db2.gz DEYIRZVYJGYKNM-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690666077 1175541259 /nfs/dbraw/zinc/54/12/59/1175541259.db2.gz DEYIRZVYJGYKNM-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001690850511 1175591397 /nfs/dbraw/zinc/59/13/97/1175591397.db2.gz ZNPRQJZKARPIAY-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001698890898 1175979235 /nfs/dbraw/zinc/97/92/35/1175979235.db2.gz HQVGGXVJCAWAGX-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699190451 1176133434 /nfs/dbraw/zinc/13/34/34/1176133434.db2.gz LOXZLOCREDCJHD-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP CC#CC[NH+]1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001699774158 1176617806 /nfs/dbraw/zinc/61/78/06/1176617806.db2.gz MNZUZPSLATVXSQ-UHFFFAOYSA-N 2 2 288.395 1.255 10 30 CDEELP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001699888749 1176668441 /nfs/dbraw/zinc/66/84/41/1176668441.db2.gz UKCWXPRLBPWKCL-LBPRGKRZSA-N 2 2 298.337 1.143 10 30 CDEELP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001699888749 1176668447 /nfs/dbraw/zinc/66/84/47/1176668447.db2.gz UKCWXPRLBPWKCL-LBPRGKRZSA-N 2 2 298.337 1.143 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001699953965 1176695695 /nfs/dbraw/zinc/69/56/95/1176695695.db2.gz NQLRZYMCRUMPRL-UONOGXRCSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001700259755 1176820062 /nfs/dbraw/zinc/82/00/62/1176820062.db2.gz KINZYCDNRHMIPP-OCCSQVGLSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001700259755 1176820070 /nfs/dbraw/zinc/82/00/70/1176820070.db2.gz KINZYCDNRHMIPP-OCCSQVGLSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001700845642 1177163568 /nfs/dbraw/zinc/16/35/68/1177163568.db2.gz ALMJGPLPEBMDOL-JSGCOSHPSA-N 2 2 276.384 1.497 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001714094299 1178969533 /nfs/dbraw/zinc/96/95/33/1178969533.db2.gz XWZFMFMDIQHVHS-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001714173865 1179002807 /nfs/dbraw/zinc/00/28/07/1179002807.db2.gz RMWQDFAIZNEOHS-OAHLLOKOSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001715083484 1179545297 /nfs/dbraw/zinc/54/52/97/1179545297.db2.gz JAYDTQKPDGVSDA-ZDUSSCGKSA-N 2 2 278.400 1.413 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001715423473 1179663801 /nfs/dbraw/zinc/66/38/01/1179663801.db2.gz RNFGTGBEFKRECG-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001715932122 1179925695 /nfs/dbraw/zinc/92/56/95/1179925695.db2.gz CTORITUUSPVIKA-CABCVRRESA-N 2 2 290.411 1.588 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001716551378 1180281444 /nfs/dbraw/zinc/28/14/44/1180281444.db2.gz ZBYRZUXZIJHTRX-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001717426739 1180666601 /nfs/dbraw/zinc/66/66/01/1180666601.db2.gz KKFQZUCYYXICIL-GHMZBOCLSA-N 2 2 250.346 1.011 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001717825333 1180882447 /nfs/dbraw/zinc/88/24/47/1180882447.db2.gz FDJCMEZHPISOGN-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001723473193 1181571435 /nfs/dbraw/zinc/57/14/35/1181571435.db2.gz JWSXLSREGIIUJI-HNNXBMFYSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001723473193 1181571442 /nfs/dbraw/zinc/57/14/42/1181571442.db2.gz JWSXLSREGIIUJI-HNNXBMFYSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[NH+]1CCC(C)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001724300356 1181660235 /nfs/dbraw/zinc/66/02/35/1181660235.db2.gz DGAYSPGDVMERBB-UHFFFAOYSA-N 2 2 276.384 1.357 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001724854077 1181776026 /nfs/dbraw/zinc/77/60/26/1181776026.db2.gz ZRUTWZUBCSSGGP-UHFFFAOYSA-N 2 2 276.384 1.146 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001724854077 1181776030 /nfs/dbraw/zinc/77/60/30/1181776030.db2.gz ZRUTWZUBCSSGGP-UHFFFAOYSA-N 2 2 276.384 1.146 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001724854077 1181776032 /nfs/dbraw/zinc/77/60/32/1181776032.db2.gz ZRUTWZUBCSSGGP-UHFFFAOYSA-N 2 2 276.384 1.146 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001724854077 1181776036 /nfs/dbraw/zinc/77/60/36/1181776036.db2.gz 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C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480236402 971641491 /nfs/dbraw/zinc/64/14/91/971641491.db2.gz OPFCOQVWVIRCMT-BETUJISGSA-N 2 2 276.384 1.464 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001325472356 953917264 /nfs/dbraw/zinc/91/72/64/953917264.db2.gz BQNRGDNYNQFKBL-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001317195418 955855442 /nfs/dbraw/zinc/85/54/42/955855442.db2.gz PHPJMEPVKMJZTQ-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001423589224 956886040 /nfs/dbraw/zinc/88/60/40/956886040.db2.gz SRZDDDROFHSEJK-SWLSCSKDSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001423589224 956886055 /nfs/dbraw/zinc/88/60/55/956886055.db2.gz SRZDDDROFHSEJK-SWLSCSKDSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001423589224 956886075 /nfs/dbraw/zinc/88/60/75/956886075.db2.gz SRZDDDROFHSEJK-SWLSCSKDSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001423589224 956886091 /nfs/dbraw/zinc/88/60/91/956886091.db2.gz SRZDDDROFHSEJK-SWLSCSKDSA-N 2 2 299.846 1.661 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317977235 957838979 /nfs/dbraw/zinc/83/89/79/957838979.db2.gz FQIIGEIVQSQXTO-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317977235 957838992 /nfs/dbraw/zinc/83/89/92/957838992.db2.gz FQIIGEIVQSQXTO-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)CC[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001318139397 957938403 /nfs/dbraw/zinc/93/84/03/957938403.db2.gz CSUVCHIWBVXAGK-UHFFFAOYSA-N 2 2 276.384 1.287 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001335352607 959740211 /nfs/dbraw/zinc/74/02/11/959740211.db2.gz MTMAVITVCVDOAR-QGZVFWFLSA-N 2 2 290.382 1.416 10 30 CDEELP 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ZINC001676440055 1174225357 /nfs/dbraw/zinc/22/53/57/1174225357.db2.gz MANZYSKUYQDJEV-UONOGXRCSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001676440055 1174225364 /nfs/dbraw/zinc/22/53/64/1174225364.db2.gz MANZYSKUYQDJEV-UONOGXRCSA-N 2 2 292.427 1.991 10 30 CDEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001656575668 1171847307 /nfs/dbraw/zinc/84/73/07/1171847307.db2.gz FSWGCQQHCOHYNY-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960392 342282475 /nfs/dbraw/zinc/28/24/75/342282475.db2.gz RQINERPEAXRFBS-HNNXBMFYSA-N 2 2 264.413 1.975 10 30 CDEELP Cc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c(C#N)c[nH+]1 ZINC000596309438 343293829 /nfs/dbraw/zinc/29/38/29/343293829.db2.gz RWKYYZZXYHTWQN-CYBMUJFWSA-N 2 2 258.369 1.968 10 30 CDEELP Cc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)c(C#N)c[nH+]1 ZINC000596309438 343293831 /nfs/dbraw/zinc/29/38/31/343293831.db2.gz RWKYYZZXYHTWQN-CYBMUJFWSA-N 2 2 258.369 1.968 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000567401933 358672535 /nfs/dbraw/zinc/67/25/35/358672535.db2.gz BPMHCPGAJOBAGZ-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000567401933 358672538 /nfs/dbraw/zinc/67/25/38/358672538.db2.gz BPMHCPGAJOBAGZ-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401933 358672540 /nfs/dbraw/zinc/67/25/40/358672540.db2.gz BPMHCPGAJOBAGZ-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401933 358672543 /nfs/dbraw/zinc/67/25/43/358672543.db2.gz BPMHCPGAJOBAGZ-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C=CCOc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000520230362 361448233 /nfs/dbraw/zinc/44/82/33/361448233.db2.gz MFADGGSILWJFKC-OAHLLOKOSA-N 2 2 275.396 1.326 10 30 CDEELP C=CCOc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000520230362 361448238 /nfs/dbraw/zinc/44/82/38/361448238.db2.gz MFADGGSILWJFKC-OAHLLOKOSA-N 2 2 275.396 1.326 10 30 CDEELP CC[N@H+](CCO)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000302216166 373943678 /nfs/dbraw/zinc/94/36/78/373943678.db2.gz IFNNUXDVLLEIAZ-UHFFFAOYSA-N 2 2 262.357 1.296 10 30 CDEELP CC[N@@H+](CCO)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000302216166 373943685 /nfs/dbraw/zinc/94/36/85/373943685.db2.gz IFNNUXDVLLEIAZ-UHFFFAOYSA-N 2 2 262.357 1.296 10 30 CDEELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182563 373945427 /nfs/dbraw/zinc/94/54/27/373945427.db2.gz COLARZJORUPLLC-IUODEOHRSA-N 2 2 259.353 1.477 10 30 CDEELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358182563 373945437 /nfs/dbraw/zinc/94/54/37/373945437.db2.gz COLARZJORUPLLC-IUODEOHRSA-N 2 2 259.353 1.477 10 30 CDEELP C[C@H]1C[N@@H+](C2CC[NH+](CCCSCC#N)CC2)CCO1 ZINC000074982099 376923814 /nfs/dbraw/zinc/92/38/14/376923814.db2.gz BPDKJZOAODPJOR-AWEZNQCLSA-N 2 2 297.468 1.818 10 30 CDEELP C[C@H]1C[N@H+](C2CC[NH+](CCCSCC#N)CC2)CCO1 ZINC000074982099 376923820 /nfs/dbraw/zinc/92/38/20/376923820.db2.gz BPDKJZOAODPJOR-AWEZNQCLSA-N 2 2 297.468 1.818 10 30 CDEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000346970927 391383505 /nfs/dbraw/zinc/38/35/05/391383505.db2.gz AZNSZOWYSNKATA-UONOGXRCSA-N 2 2 292.427 1.211 10 30 CDEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000346970927 391383506 /nfs/dbraw/zinc/38/35/06/391383506.db2.gz AZNSZOWYSNKATA-UONOGXRCSA-N 2 2 292.427 1.211 10 30 CDEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000346970927 391383508 /nfs/dbraw/zinc/38/35/08/391383508.db2.gz AZNSZOWYSNKATA-UONOGXRCSA-N 2 2 292.427 1.211 10 30 CDEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000346970927 391383510 /nfs/dbraw/zinc/38/35/10/391383510.db2.gz AZNSZOWYSNKATA-UONOGXRCSA-N 2 2 292.427 1.211 10 30 CDEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3COC3)CC2)cc1 ZINC000527820858 392990678 /nfs/dbraw/zinc/99/06/78/392990678.db2.gz TWNOXKGHVMVYMP-UHFFFAOYSA-N 2 2 285.391 1.759 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001665059200 1172935947 /nfs/dbraw/zinc/93/59/47/1172935947.db2.gz JHCICLOGYVAKSH-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001665059200 1172935954 /nfs/dbraw/zinc/93/59/54/1172935954.db2.gz JHCICLOGYVAKSH-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001665059200 1172935961 /nfs/dbraw/zinc/93/59/61/1172935961.db2.gz JHCICLOGYVAKSH-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001665059200 1172935965 /nfs/dbraw/zinc/93/59/65/1172935965.db2.gz JHCICLOGYVAKSH-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[C@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CCC[NH2+]1 ZINC000662741293 413414592 /nfs/dbraw/zinc/41/45/92/413414592.db2.gz YDPYAYXAHVRUPZ-MRXNPFEDSA-N 2 2 284.363 1.649 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001665601702 1173018213 /nfs/dbraw/zinc/01/82/13/1173018213.db2.gz UVBSUTLGBAPGBL-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001665601702 1173018226 /nfs/dbraw/zinc/01/82/26/1173018226.db2.gz UVBSUTLGBAPGBL-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665019600 413792563 /nfs/dbraw/zinc/79/25/63/413792563.db2.gz DSAXUBRKAFINPJ-UHFFFAOYSA-N 2 2 270.421 1.135 10 30 CDEELP C=C(C)CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665019600 413792570 /nfs/dbraw/zinc/79/25/70/413792570.db2.gz DSAXUBRKAFINPJ-UHFFFAOYSA-N 2 2 270.421 1.135 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001673922528 1173898308 /nfs/dbraw/zinc/89/83/08/1173898308.db2.gz AIKWDLYXVYLZKL-ZFWWWQNUSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001483609996 1160958638 /nfs/dbraw/zinc/95/86/38/1160958638.db2.gz SNLGUUUYXRDQRS-GFCCVEGCSA-N 2 2 282.775 1.120 10 30 CDEELP CC[NH2+][C@@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615629 520130098 /nfs/dbraw/zinc/13/00/98/520130098.db2.gz FXBVBUVVYCRGLG-ARFHVFGLSA-N 2 2 278.444 1.827 10 30 CDEELP CC[NH2+][C@@](C)(C#N)C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068615629 520130100 /nfs/dbraw/zinc/13/01/00/520130100.db2.gz FXBVBUVVYCRGLG-ARFHVFGLSA-N 2 2 278.444 1.827 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716179909 1180085812 /nfs/dbraw/zinc/08/58/12/1180085812.db2.gz DRGANUPXSITYGD-NWDGAFQWSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716179909 1180085820 /nfs/dbraw/zinc/08/58/20/1180085820.db2.gz DRGANUPXSITYGD-NWDGAFQWSA-N 2 2 264.373 1.259 10 30 CDEELP CCCN[C@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079739 520100797 /nfs/dbraw/zinc/10/07/97/520100797.db2.gz ZPVAYSLCPUXLST-QGZVFWFLSA-N 2 2 292.471 1.932 10 30 CDEELP CCN[C@@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079737 520126962 /nfs/dbraw/zinc/12/69/62/520126962.db2.gz PWGMNSVXQSTHKS-INIZCTEOSA-N 2 2 278.444 1.542 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941650 520224674 /nfs/dbraw/zinc/22/46/74/520224674.db2.gz PEKMDRKFTZYSBU-CVEARBPZSA-N 2 2 278.444 1.828 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062941650 520224679 /nfs/dbraw/zinc/22/46/79/520224679.db2.gz PEKMDRKFTZYSBU-CVEARBPZSA-N 2 2 278.444 1.828 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000730105561 574850814 /nfs/dbraw/zinc/85/08/14/574850814.db2.gz KQZZZXLQAFFFBH-GJZGRUSLSA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000730105561 574850816 /nfs/dbraw/zinc/85/08/16/574850816.db2.gz KQZZZXLQAFFFBH-GJZGRUSLSA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000730105561 574850817 /nfs/dbraw/zinc/85/08/17/574850817.db2.gz KQZZZXLQAFFFBH-GJZGRUSLSA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000730105561 574850820 /nfs/dbraw/zinc/85/08/20/574850820.db2.gz KQZZZXLQAFFFBH-GJZGRUSLSA-N 2 2 277.412 1.075 10 30 CDEELP C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473514 617599168 /nfs/dbraw/zinc/59/91/68/617599168.db2.gz YUXCVHSHVICTDE-KBPBESRZSA-N 2 2 265.401 1.189 10 30 CDEELP C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473514 617599171 /nfs/dbraw/zinc/59/91/71/617599171.db2.gz YUXCVHSHVICTDE-KBPBESRZSA-N 2 2 265.401 1.189 10 30 CDEELP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C#N)ccn1 ZINC000902962777 625703909 /nfs/dbraw/zinc/70/39/09/625703909.db2.gz LHFDYGQCCILWIQ-DGCLKSJQSA-N 2 2 267.336 1.815 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921702744 633213587 /nfs/dbraw/zinc/21/35/87/633213587.db2.gz MJVZSMRAFUKWDA-UHFFFAOYSA-N 2 2 266.364 1.593 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 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/nfs/dbraw/zinc/89/62/04/976896204.db2.gz CWZABWKLYKRGIK-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C=CCC[N@@H+](CC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001492973450 976896210 /nfs/dbraw/zinc/89/62/10/976896210.db2.gz CWZABWKLYKRGIK-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001392626330 977510367 /nfs/dbraw/zinc/51/03/67/977510367.db2.gz ARKRBLIDJKUKAJ-ZDUSSCGKSA-N 2 2 297.362 1.049 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392718873 977570352 /nfs/dbraw/zinc/57/03/52/977570352.db2.gz KWLDDAFKNZLAIM-GFCCVEGCSA-N 2 2 285.819 1.271 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392718873 977570362 /nfs/dbraw/zinc/57/03/62/977570362.db2.gz KWLDDAFKNZLAIM-GFCCVEGCSA-N 2 2 285.819 1.271 10 30 CDEELP C=C(C)CC[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001570578105 1170195150 /nfs/dbraw/zinc/19/51/50/1170195150.db2.gz FFTSRUYNKYFABE-UHFFFAOYSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001571469195 1170441823 /nfs/dbraw/zinc/44/18/23/1170441823.db2.gz MQPXBNQYJRKVBI-ZIAGYGMSSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000651710594 398160660 /nfs/dbraw/zinc/16/06/60/398160660.db2.gz HONGBBJMMJTPDM-RBSFLKMASA-N 2 2 251.418 1.567 10 30 CDEELP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000651710594 398160664 /nfs/dbraw/zinc/16/06/64/398160664.db2.gz HONGBBJMMJTPDM-RBSFLKMASA-N 2 2 251.418 1.567 10 30 CDEELP N#Cc1cnccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493849 342696732 /nfs/dbraw/zinc/69/67/32/342696732.db2.gz BIJQXTMCIGORDD-HNNXBMFYSA-N 2 2 286.379 1.141 10 30 CDEELP N#Cc1cnccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000592493849 342696733 /nfs/dbraw/zinc/69/67/33/342696733.db2.gz BIJQXTMCIGORDD-HNNXBMFYSA-N 2 2 286.379 1.141 10 30 CDEELP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000592998099 342752722 /nfs/dbraw/zinc/75/27/22/342752722.db2.gz PSAPFECZDYFEQW-STQMWFEESA-N 2 2 272.308 1.118 10 30 CDEELP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600744455 342247173 /nfs/dbraw/zinc/24/71/73/342247173.db2.gz CJWUXAXTWWTXKV-CHWSQXEVSA-N 2 2 251.374 1.115 10 30 CDEELP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600744455 342247174 /nfs/dbraw/zinc/24/71/74/342247174.db2.gz CJWUXAXTWWTXKV-CHWSQXEVSA-N 2 2 251.374 1.115 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000600756755 342247712 /nfs/dbraw/zinc/24/77/12/342247712.db2.gz PCPBWNIHZWIVFH-GJZGRUSLSA-N 2 2 277.412 1.648 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000600756755 342247713 /nfs/dbraw/zinc/24/77/13/342247713.db2.gz PCPBWNIHZWIVFH-GJZGRUSLSA-N 2 2 277.412 1.648 10 30 CDEELP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C#N ZINC000599481765 344070914 /nfs/dbraw/zinc/07/09/14/344070914.db2.gz NNAKABBXIMIEJD-GOSISDBHSA-N 2 2 299.418 1.898 10 30 CDEELP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C#N ZINC000599481765 344070916 /nfs/dbraw/zinc/07/09/16/344070916.db2.gz NNAKABBXIMIEJD-GOSISDBHSA-N 2 2 299.418 1.898 10 30 CDEELP N#Cc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000194161640 372088803 /nfs/dbraw/zinc/08/88/03/372088803.db2.gz HQLMPLOLMVMFLL-MRXNPFEDSA-N 2 2 273.380 1.495 10 30 CDEELP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855175 413060034 /nfs/dbraw/zinc/06/00/34/413060034.db2.gz ABMHHQFDFKRAMZ-LSDHHAIUSA-N 2 2 279.428 1.485 10 30 CDEELP C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373355536 397675505 /nfs/dbraw/zinc/67/55/05/397675505.db2.gz VPKOQXXSWJEXIF-GJZGRUSLSA-N 2 2 293.455 1.873 10 30 CDEELP C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373355536 397675506 /nfs/dbraw/zinc/67/55/06/397675506.db2.gz VPKOQXXSWJEXIF-GJZGRUSLSA-N 2 2 293.455 1.873 10 30 CDEELP C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000660705134 413391519 /nfs/dbraw/zinc/39/15/19/413391519.db2.gz RXWRPEAFAHOANO-GFCCVEGCSA-N 2 2 291.399 1.431 10 30 CDEELP N#CCN(C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000044531103 175196533 /nfs/dbraw/zinc/19/65/33/175196533.db2.gz NLIOLTTXWRYTJD-CQSZACIVSA-N 2 2 286.379 1.214 10 30 CDEELP N#CCN(C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000044531103 175196535 /nfs/dbraw/zinc/19/65/35/175196535.db2.gz NLIOLTTXWRYTJD-CQSZACIVSA-N 2 2 286.379 1.214 10 30 CDEELP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001672804725 1173801553 /nfs/dbraw/zinc/80/15/53/1173801553.db2.gz GVOVXOGOMJPYKD-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001672804725 1173801557 /nfs/dbraw/zinc/80/15/57/1173801557.db2.gz GVOVXOGOMJPYKD-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378063924 329038457 /nfs/dbraw/zinc/03/84/57/329038457.db2.gz YBRHTJOWQLYWHZ-LBPRGKRZSA-N 2 2 289.383 1.350 10 30 CDEELP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378063924 329038458 /nfs/dbraw/zinc/03/84/58/329038458.db2.gz YBRHTJOWQLYWHZ-LBPRGKRZSA-N 2 2 289.383 1.350 10 30 CDEELP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263269559 330051374 /nfs/dbraw/zinc/05/13/74/330051374.db2.gz WLZLSJMIGOXGAR-UHFFFAOYSA-N 2 2 294.443 1.502 10 30 CDEELP C=C(C)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000681407863 482841615 /nfs/dbraw/zinc/84/16/15/482841615.db2.gz WGRMMMYWKVGGIF-AWEZNQCLSA-N 2 2 265.401 1.367 10 30 CDEELP C=C(C)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000681407863 482841620 /nfs/dbraw/zinc/84/16/20/482841620.db2.gz WGRMMMYWKVGGIF-AWEZNQCLSA-N 2 2 265.401 1.367 10 30 CDEELP C=CC[NH+]1CCC(C)(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001483974441 1161243721 /nfs/dbraw/zinc/24/37/21/1161243721.db2.gz DQTBPZBTXCQMQP-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP CC[C@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609358 523334502 /nfs/dbraw/zinc/33/45/02/523334502.db2.gz KJMWHSVPVYKFQU-HNNXBMFYSA-N 2 2 276.355 1.747 10 30 CDEELP CC[C@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609358 523334508 /nfs/dbraw/zinc/33/45/08/523334508.db2.gz KJMWHSVPVYKFQU-HNNXBMFYSA-N 2 2 276.355 1.747 10 30 CDEELP N#Cc1ncccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061657725 526789920 /nfs/dbraw/zinc/78/99/20/526789920.db2.gz PWHBHGJQWXTJDQ-GFCCVEGCSA-N 2 2 256.353 1.527 10 30 CDEELP N#Cc1ncccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000061657725 526789923 /nfs/dbraw/zinc/78/99/23/526789923.db2.gz PWHBHGJQWXTJDQ-GFCCVEGCSA-N 2 2 256.353 1.527 10 30 CDEELP C#CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686970 574642227 /nfs/dbraw/zinc/64/22/27/574642227.db2.gz ZXCVVRZAVLOUGI-MRXNPFEDSA-N 2 2 291.439 1.324 10 30 CDEELP C#CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686970 574642228 /nfs/dbraw/zinc/64/22/28/574642228.db2.gz ZXCVVRZAVLOUGI-MRXNPFEDSA-N 2 2 291.439 1.324 10 30 CDEELP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccno2)cc1 ZINC000747838835 576886589 /nfs/dbraw/zinc/88/65/89/576886589.db2.gz NQEFWTFYNSAYSJ-UHFFFAOYSA-N 2 2 274.324 1.573 10 30 CDEELP C=C(C)CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001691227649 1158966295 /nfs/dbraw/zinc/96/62/95/1158966295.db2.gz BQBJOTWVAUBFPL-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001691227649 1158966292 /nfs/dbraw/zinc/96/62/92/1158966292.db2.gz BQBJOTWVAUBFPL-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269892626 1160076265 /nfs/dbraw/zinc/07/62/65/1160076265.db2.gz JIWCYBXUBMMOOY-UHFFFAOYSA-N 2 2 253.390 1.045 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269892626 1160076257 /nfs/dbraw/zinc/07/62/57/1160076257.db2.gz JIWCYBXUBMMOOY-UHFFFAOYSA-N 2 2 253.390 1.045 10 30 CDEELP CC#CC[NH2+][C@H](CCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001571352379 1170379368 /nfs/dbraw/zinc/37/93/68/1170379368.db2.gz JXWABMIRLCTBIO-OAHLLOKOSA-N 2 2 290.411 1.106 10 30 CDEELP 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CDEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001565916754 1168200997 /nfs/dbraw/zinc/20/09/97/1168200997.db2.gz OOCKJUGVUAWYJJ-UONOGXRCSA-N 2 2 290.411 1.711 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001567029512 1168519545 /nfs/dbraw/zinc/51/95/45/1168519545.db2.gz RMXJYQNOWXVNAX-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001272573257 913494871 /nfs/dbraw/zinc/49/48/71/913494871.db2.gz BJTKEWGGLILIEN-LBPRGKRZSA-N 2 2 296.802 1.533 10 30 CDEELP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267087976 896736788 /nfs/dbraw/zinc/73/67/88/896736788.db2.gz WMEUZRHKOVAXCB-GJZGRUSLSA-N 2 2 290.411 1.866 10 30 CDEELP C=CC[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001567567188 1168863481 /nfs/dbraw/zinc/86/34/81/1168863481.db2.gz RSIQXNWVZKOJDB-GFCCVEGCSA-N 2 2 250.346 1.068 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481127116 898943012 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C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332324574 957517080 /nfs/dbraw/zinc/51/70/80/957517080.db2.gz UABGRNQYVAFXDR-STQMWFEESA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332324571 957517197 /nfs/dbraw/zinc/51/71/97/957517197.db2.gz UABGRNQYVAFXDR-CHWSQXEVSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512420 957522102 /nfs/dbraw/zinc/52/21/02/957522102.db2.gz KYPOWDXNONBANP-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512420 957522108 /nfs/dbraw/zinc/52/21/08/957522108.db2.gz KYPOWDXNONBANP-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805116 957672690 /nfs/dbraw/zinc/67/26/90/957672690.db2.gz IUVALSXKJZAXKB-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317805116 957672695 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290.411 1.458 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001420039586 962405076 /nfs/dbraw/zinc/40/50/76/962405076.db2.gz OFBZCHFLPMMUFX-CYBMUJFWSA-N 2 2 287.835 1.471 10 30 CDEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001420039586 962405082 /nfs/dbraw/zinc/40/50/82/962405082.db2.gz OFBZCHFLPMMUFX-CYBMUJFWSA-N 2 2 287.835 1.471 10 30 CDEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420039586 962405087 /nfs/dbraw/zinc/40/50/87/962405087.db2.gz OFBZCHFLPMMUFX-CYBMUJFWSA-N 2 2 287.835 1.471 10 30 CDEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420039586 962405097 /nfs/dbraw/zinc/40/50/97/962405097.db2.gz OFBZCHFLPMMUFX-CYBMUJFWSA-N 2 2 287.835 1.471 10 30 CDEELP CC#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498061410 973654029 /nfs/dbraw/zinc/65/40/29/973654029.db2.gz YFMOVKYVHQQWDG-LBPRGKRZSA-N 2 2 276.384 1.044 10 30 CDEELP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001569691463 1169967849 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C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001506900675 975252362 /nfs/dbraw/zinc/25/23/62/975252362.db2.gz GNDRKBXOORAMPW-HAQNSBGRSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392722311 977573506 /nfs/dbraw/zinc/57/35/06/977573506.db2.gz FVBSBMNWPCAFTC-GFCCVEGCSA-N 2 2 273.808 1.271 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392722311 977573511 /nfs/dbraw/zinc/57/35/11/977573511.db2.gz FVBSBMNWPCAFTC-GFCCVEGCSA-N 2 2 273.808 1.271 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001676958541 1174300084 /nfs/dbraw/zinc/30/00/84/1174300084.db2.gz KXOZRJMGXWCSGH-NWDGAFQWSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001570608742 1170208768 /nfs/dbraw/zinc/20/87/68/1170208768.db2.gz SDVPDMGVJBJAKM-OLZOCXBDSA-N 2 2 278.400 1.791 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001570608742 1170208775 /nfs/dbraw/zinc/20/87/75/1170208775.db2.gz SDVPDMGVJBJAKM-OLZOCXBDSA-N 2 2 278.400 1.791 10 30 CDEELP N#CC[C@@]1(O)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000592522367 342702429 /nfs/dbraw/zinc/70/24/29/342702429.db2.gz MOUMIGANDFXHKO-CQSZACIVSA-N 2 2 288.376 1.784 10 30 CDEELP N#CC[C@@]1(O)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000592522367 342702431 /nfs/dbraw/zinc/70/24/31/342702431.db2.gz MOUMIGANDFXHKO-CQSZACIVSA-N 2 2 288.376 1.784 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000085969489 179206887 /nfs/dbraw/zinc/20/68/87/179206887.db2.gz SLLGERGEPHKFMS-HIFRSBDPSA-N 2 2 250.386 1.225 10 30 CDEELP CC#CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000276633806 364135156 /nfs/dbraw/zinc/13/51/56/364135156.db2.gz XHECTZOAYHXFCP-KBPBESRZSA-N 2 2 278.375 1.288 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000276633806 364135159 /nfs/dbraw/zinc/13/51/59/364135159.db2.gz XHECTZOAYHXFCP-KBPBESRZSA-N 2 2 278.375 1.288 10 30 CDEELP N#Cc1ccc2[nH+]cc(CN3CC[NH+]4CCC3CC4)n2c1 ZINC000368038781 374151404 /nfs/dbraw/zinc/15/14/04/374151404.db2.gz DDLKFTFDXBNTAU-UHFFFAOYSA-N 2 2 281.363 1.486 10 30 CDEELP N#Cc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000352838576 374368567 /nfs/dbraw/zinc/36/85/67/374368567.db2.gz FTCBHVQIXFUVTC-CMPLNLGQSA-N 2 2 262.382 1.731 10 30 CDEELP N#Cc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000352838576 374368573 /nfs/dbraw/zinc/36/85/73/374368573.db2.gz FTCBHVQIXFUVTC-CMPLNLGQSA-N 2 2 262.382 1.731 10 30 CDEELP C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638873641 375143372 /nfs/dbraw/zinc/14/33/72/375143372.db2.gz COIPDRBLWLKGLV-LBPRGKRZSA-N 2 2 255.406 1.374 10 30 CDEELP COc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000353233219 375159104 /nfs/dbraw/zinc/15/91/04/375159104.db2.gz WPCZILSESNLJNP-FZMZJTMJSA-N 2 2 259.353 1.607 10 30 CDEELP COc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000353233219 375159110 /nfs/dbraw/zinc/15/91/10/375159110.db2.gz WPCZILSESNLJNP-FZMZJTMJSA-N 2 2 259.353 1.607 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000344219673 379327841 /nfs/dbraw/zinc/32/78/41/379327841.db2.gz MYFUJRYOUCDDGF-DZGCQCFKSA-N 2 2 251.418 1.567 10 30 CDEELP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000305804653 392775540 /nfs/dbraw/zinc/77/55/40/392775540.db2.gz FWUGMXFGBRNYAQ-JQWIXIFHSA-N 2 2 265.332 1.270 10 30 CDEELP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000092938457 147028372 /nfs/dbraw/zinc/02/83/72/147028372.db2.gz NCHNVMLXFNKAJO-CQSZACIVSA-N 2 2 283.379 1.732 10 30 CDEELP C=CC[C@]1(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CCC[NH2+]1 ZINC000662901164 413686361 /nfs/dbraw/zinc/68/63/61/413686361.db2.gz FCWAKPJPMPTJFD-SWLSCSKDSA-N 2 2 276.384 1.779 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657352231 414198942 /nfs/dbraw/zinc/19/89/42/414198942.db2.gz GFMPHWSFQGQBAW-UHFFFAOYSA-N 2 2 274.412 1.959 10 30 CDEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000071145888 176041910 /nfs/dbraw/zinc/04/19/10/176041910.db2.gz LAYNSEXMPCBYIO-CQSZACIVSA-N 2 2 292.427 1.213 10 30 CDEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000071145888 176041912 /nfs/dbraw/zinc/04/19/12/176041912.db2.gz LAYNSEXMPCBYIO-CQSZACIVSA-N 2 2 292.427 1.213 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190765 176068329 /nfs/dbraw/zinc/06/83/29/176068329.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190765 176068331 /nfs/dbraw/zinc/06/83/31/176068331.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190765 176068332 /nfs/dbraw/zinc/06/83/32/176068332.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190765 176068333 /nfs/dbraw/zinc/06/83/33/176068333.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP CSCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000274009641 263020772 /nfs/dbraw/zinc/02/07/72/263020772.db2.gz BKKUTQQLHGRGCM-UHFFFAOYSA-N 2 2 267.398 1.748 10 30 CDEELP C[C@]1(F)CC[NH+](CC#CC[N@H+]2CC[C@](C)(F)C2)C1 ZINC000341911263 263365718 /nfs/dbraw/zinc/36/57/18/263365718.db2.gz PXNVUZGPYHHMKR-KBPBESRZSA-N 2 2 256.340 1.858 10 30 CDEELP C[C@]1(F)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000341911263 263365720 /nfs/dbraw/zinc/36/57/20/263365720.db2.gz PXNVUZGPYHHMKR-KBPBESRZSA-N 2 2 256.340 1.858 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367602957 267103261 /nfs/dbraw/zinc/10/32/61/267103261.db2.gz WZYOXSFECKWKRF-MCIONIFRSA-N 2 2 286.441 1.050 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367602957 267103262 /nfs/dbraw/zinc/10/32/62/267103262.db2.gz WZYOXSFECKWKRF-MCIONIFRSA-N 2 2 286.441 1.050 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001667497801 1173277126 /nfs/dbraw/zinc/27/71/26/1173277126.db2.gz ASDMNZAGOLZLJS-AWEZNQCLSA-N 2 2 278.400 1.649 10 30 CDEELP C[C@@H]1CN(c2ncccc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000362327342 274370260 /nfs/dbraw/zinc/37/02/60/274370260.db2.gz QRQJUCFVDDFNIF-CQSZACIVSA-N 2 2 299.422 1.558 10 30 CDEELP C[C@@H]1CN(c2ncccc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000362327342 274370261 /nfs/dbraw/zinc/37/02/61/274370261.db2.gz QRQJUCFVDDFNIF-CQSZACIVSA-N 2 2 299.422 1.558 10 30 CDEELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000521894993 333196623 /nfs/dbraw/zinc/19/66/23/333196623.db2.gz ZNWYGCDLZUCJLP-UHFFFAOYSA-N 2 2 289.383 1.030 10 30 CDEELP CC(C)[NH2+][C@@](C#N)(CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000069082595 519735109 /nfs/dbraw/zinc/73/51/09/519735109.db2.gz ZUBXQJDNCUQXMD-CVEARBPZSA-N 2 2 278.444 1.683 10 30 CDEELP CCCN[C@@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079742 520029674 /nfs/dbraw/zinc/02/96/74/520029674.db2.gz ZPVAYSLCPUXLST-KRWDZBQOSA-N 2 2 292.471 1.932 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCOC[C@H]1C ZINC000049609131 523512751 /nfs/dbraw/zinc/51/27/51/523512751.db2.gz ICRJFYDZBGNQFW-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCOC[C@H]1C ZINC000049609131 523512763 /nfs/dbraw/zinc/51/27/63/523512763.db2.gz ICRJFYDZBGNQFW-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP C#CC[N@@H+](CC)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000726796598 574506514 /nfs/dbraw/zinc/50/65/14/574506514.db2.gz GMPUCQRVNKRMAQ-MRXNPFEDSA-N 2 2 260.381 1.434 10 30 CDEELP C#CC[N@H+](CC)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000726796598 574506515 /nfs/dbraw/zinc/50/65/15/574506515.db2.gz GMPUCQRVNKRMAQ-MRXNPFEDSA-N 2 2 260.381 1.434 10 30 CDEELP C#CC[NH+](CC)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000726796598 574506516 /nfs/dbraw/zinc/50/65/16/574506516.db2.gz GMPUCQRVNKRMAQ-MRXNPFEDSA-N 2 2 260.381 1.434 10 30 CDEELP C#CC[NH+](CC)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000726796598 574506517 /nfs/dbraw/zinc/50/65/17/574506517.db2.gz GMPUCQRVNKRMAQ-MRXNPFEDSA-N 2 2 260.381 1.434 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000732068016 575077728 /nfs/dbraw/zinc/07/77/28/575077728.db2.gz QMEBWUJPSMARKF-HNNXBMFYSA-N 2 2 295.346 1.303 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000732068016 575077729 /nfs/dbraw/zinc/07/77/29/575077729.db2.gz QMEBWUJPSMARKF-HNNXBMFYSA-N 2 2 295.346 1.303 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742858 617605256 /nfs/dbraw/zinc/60/52/56/617605256.db2.gz HUKMJOSKHKOCFQ-HLLBOEOZSA-N 2 2 291.439 1.459 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742858 617605258 /nfs/dbraw/zinc/60/52/58/617605258.db2.gz HUKMJOSKHKOCFQ-HLLBOEOZSA-N 2 2 291.439 1.459 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933742858 617605262 /nfs/dbraw/zinc/60/52/62/617605262.db2.gz HUKMJOSKHKOCFQ-HLLBOEOZSA-N 2 2 291.439 1.459 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933742858 617605266 /nfs/dbraw/zinc/60/52/66/617605266.db2.gz HUKMJOSKHKOCFQ-HLLBOEOZSA-N 2 2 291.439 1.459 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000924983452 618536607 /nfs/dbraw/zinc/53/66/07/618536607.db2.gz FPZUQKQMIOYQIM-CYBMUJFWSA-N 2 2 254.374 1.378 10 30 CDEELP C=CCCC[N@H+](CC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000902668994 625197548 /nfs/dbraw/zinc/19/75/48/625197548.db2.gz GUHGNZDZCBRNCB-CQSZACIVSA-N 2 2 290.411 1.982 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001670527028 1158629953 /nfs/dbraw/zinc/62/99/53/1158629953.db2.gz BWZFAEGKZRVYFO-SWLSCSKDSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001670527028 1158629947 /nfs/dbraw/zinc/62/99/47/1158629947.db2.gz BWZFAEGKZRVYFO-SWLSCSKDSA-N 2 2 288.395 1.096 10 30 CDEELP c1cn(CCCN=NC2CCC[N@@H+]3CCSC[C@H]23)c[nH+]1 ZINC000872387632 1165425619 /nfs/dbraw/zinc/42/56/19/1165425619.db2.gz PZCQKFXYTKZULZ-CQSZACIVSA-N 2 2 293.440 1.430 10 30 CDEELP c1cn(CCCN=NC2CCC[N@H+]3CCSC[C@H]23)c[nH+]1 ZINC000872387632 1165425621 /nfs/dbraw/zinc/42/56/21/1165425621.db2.gz PZCQKFXYTKZULZ-CQSZACIVSA-N 2 2 293.440 1.430 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001570109272 1170082872 /nfs/dbraw/zinc/08/28/72/1170082872.db2.gz KCMINHUESUHQHV-UHFFFAOYSA-N 2 2 296.374 1.828 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001571409395 1170416687 /nfs/dbraw/zinc/41/66/87/1170416687.db2.gz MJBJUXCBPLKCFB-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001571409395 1170416693 /nfs/dbraw/zinc/41/66/93/1170416693.db2.gz MJBJUXCBPLKCFB-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001571544089 1170471418 /nfs/dbraw/zinc/47/14/18/1170471418.db2.gz JPXSISCHZFMIFO-KGLIPLIRSA-N 2 2 290.411 1.793 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001667458177 1173271325 /nfs/dbraw/zinc/27/13/25/1173271325.db2.gz INDPKDLYMIMZNV-HNNXBMFYSA-N 2 2 298.390 1.620 10 30 CDEELP C#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001690848543 1175589968 /nfs/dbraw/zinc/58/99/68/1175589968.db2.gz DZKYUHLBJDRRKF-LBPRGKRZSA-N 2 2 276.384 1.044 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001698939186 1175989867 /nfs/dbraw/zinc/98/98/67/1175989867.db2.gz OSOWHMRDNXPSHE-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001699391503 1176352667 /nfs/dbraw/zinc/35/26/67/1176352667.db2.gz OCNDGIKTHCBSMB-CHWSQXEVSA-N 2 2 264.373 1.332 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001699420668 1176383305 /nfs/dbraw/zinc/38/33/05/1176383305.db2.gz POHLZFHVDGVNHZ-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001699655504 1176552204 /nfs/dbraw/zinc/55/22/04/1176552204.db2.gz LXCYEIOLLYFFNU-UHFFFAOYSA-N 2 2 275.352 1.057 10 30 CDEELP C=CC[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001707396399 1178014904 /nfs/dbraw/zinc/01/49/04/1178014904.db2.gz QSPWSWRBISQXCP-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP C=CC[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001707396399 1178014911 /nfs/dbraw/zinc/01/49/11/1178014911.db2.gz QSPWSWRBISQXCP-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001713494156 1178606375 /nfs/dbraw/zinc/60/63/75/1178606375.db2.gz KZEYJVKUVIRPAG-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001713494156 1178606380 /nfs/dbraw/zinc/60/63/80/1178606380.db2.gz KZEYJVKUVIRPAG-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001713494156 1178606382 /nfs/dbraw/zinc/60/63/82/1178606382.db2.gz KZEYJVKUVIRPAG-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001713494156 1178606385 /nfs/dbraw/zinc/60/63/85/1178606385.db2.gz KZEYJVKUVIRPAG-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714278194 1179061027 /nfs/dbraw/zinc/06/10/27/1179061027.db2.gz INUGISOKUVDQEZ-KBPBESRZSA-N 2 2 278.400 1.895 10 30 CDEELP C=CC[NH2+]Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001715193325 1179572994 /nfs/dbraw/zinc/57/29/94/1179572994.db2.gz DHBDGPMWDRDBSI-UHFFFAOYSA-N 2 2 298.390 1.934 10 30 CDEELP C=CC[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001715193325 1179573000 /nfs/dbraw/zinc/57/30/00/1179573000.db2.gz DHBDGPMWDRDBSI-UHFFFAOYSA-N 2 2 298.390 1.934 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001715481235 1179677659 /nfs/dbraw/zinc/67/76/59/1179677659.db2.gz YVMYFZMWHDLDRF-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001715488949 1179679599 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C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716047342 1180019811 /nfs/dbraw/zinc/01/98/11/1180019811.db2.gz ZXBKKIHZFOKWCW-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716047342 1180019816 /nfs/dbraw/zinc/01/98/16/1180019816.db2.gz ZXBKKIHZFOKWCW-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)C/C=C\Cl ZINC001716482723 1180244195 /nfs/dbraw/zinc/24/41/95/1180244195.db2.gz PGIXCGIGVIBLIP-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)C/C=C\Cl ZINC001716482723 1180244197 /nfs/dbraw/zinc/24/41/97/1180244197.db2.gz PGIXCGIGVIBLIP-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C\Cl ZINC001716482723 1180244200 /nfs/dbraw/zinc/24/42/00/1180244200.db2.gz PGIXCGIGVIBLIP-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C\Cl ZINC001716482723 1180244204 /nfs/dbraw/zinc/24/42/04/1180244204.db2.gz PGIXCGIGVIBLIP-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001717388299 1180642916 /nfs/dbraw/zinc/64/29/16/1180642916.db2.gz SYHWCABCESOHPU-UHFFFAOYSA-N 2 2 276.384 1.334 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001724795186 1181755865 /nfs/dbraw/zinc/75/58/65/1181755865.db2.gz CKWSPEXINAIEMA-ZDUSSCGKSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001724795186 1181755870 /nfs/dbraw/zinc/75/58/70/1181755870.db2.gz CKWSPEXINAIEMA-ZDUSSCGKSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001725447663 1182003082 /nfs/dbraw/zinc/00/30/82/1182003082.db2.gz VFFDXAVDQKOQGO-CQSZACIVSA-N 2 2 276.384 1.027 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001725472246 1182012777 /nfs/dbraw/zinc/01/27/77/1182012777.db2.gz LQRKSANRYTYGOF-OAHLLOKOSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001731271577 1182285762 /nfs/dbraw/zinc/28/57/62/1182285762.db2.gz QZRWMFFEHUZZDF-ZDUSSCGKSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001731271577 1182285767 /nfs/dbraw/zinc/28/57/67/1182285767.db2.gz QZRWMFFEHUZZDF-ZDUSSCGKSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001731271577 1182285772 /nfs/dbraw/zinc/28/57/72/1182285772.db2.gz QZRWMFFEHUZZDF-ZDUSSCGKSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001731271577 1182285773 /nfs/dbraw/zinc/28/57/73/1182285773.db2.gz QZRWMFFEHUZZDF-ZDUSSCGKSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001732348321 1182919389 /nfs/dbraw/zinc/91/93/89/1182919389.db2.gz DMNZYYGEVHFNCQ-KBPBESRZSA-N 2 2 290.411 1.364 10 30 CDEELP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001732600661 1183041593 /nfs/dbraw/zinc/04/15/93/1183041593.db2.gz TXMLAWZARTZSRR-INIZCTEOSA-N 2 2 287.407 1.313 10 30 CDEELP C#CC[N@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001732600661 1183041598 /nfs/dbraw/zinc/04/15/98/1183041598.db2.gz TXMLAWZARTZSRR-INIZCTEOSA-N 2 2 287.407 1.313 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001733245899 1183367594 /nfs/dbraw/zinc/36/75/94/1183367594.db2.gz VYUXECFIYHAHLN-UHFFFAOYSA-N 2 2 282.347 1.128 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001734210706 1183692441 /nfs/dbraw/zinc/69/24/41/1183692441.db2.gz QYMSSMQHWDYSPV-IHRRRGAJSA-N 2 2 288.395 1.116 10 30 CDEELP CC#CC[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734336886 1183737620 /nfs/dbraw/zinc/73/76/20/1183737620.db2.gz VRAZXHBOCXGEOD-ZDUSSCGKSA-N 2 2 284.363 1.408 10 30 CDEELP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000865404435 783909324 /nfs/dbraw/zinc/90/93/24/783909324.db2.gz KPBFKPDRIQJDSH-UHFFFAOYSA-N 2 2 272.396 1.808 10 30 CDEELP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048447 785155305 /nfs/dbraw/zinc/15/53/05/785155305.db2.gz HHZHWTXIKYJEPF-RWMBFGLXSA-N 2 2 268.405 1.174 10 30 CDEELP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048447 785155359 /nfs/dbraw/zinc/15/53/59/785155359.db2.gz HHZHWTXIKYJEPF-RWMBFGLXSA-N 2 2 268.405 1.174 10 30 CDEELP COc1ccc(O)c(/C=N/CC[N@H+](C)CCC[NH+](C)C)c1 ZINC000849170601 787875473 /nfs/dbraw/zinc/87/54/73/787875473.db2.gz RCECJKORHXXCIM-GHRIWEEISA-N 2 2 293.411 1.703 10 30 CDEELP COc1ccc(O)c(/C=N/CC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000849170601 787875474 /nfs/dbraw/zinc/87/54/74/787875474.db2.gz RCECJKORHXXCIM-GHRIWEEISA-N 2 2 293.411 1.703 10 30 CDEELP C[C@@H](C#N)OCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288198 788911232 /nfs/dbraw/zinc/91/12/32/788911232.db2.gz XVUFRBHAPGCDIE-AWEZNQCLSA-N 2 2 281.400 1.102 10 30 CDEELP C[C@@H](C#N)OCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288198 788911246 /nfs/dbraw/zinc/91/12/46/788911246.db2.gz XVUFRBHAPGCDIE-AWEZNQCLSA-N 2 2 281.400 1.102 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCn2cc[nH+]c2)C1 ZINC001691860511 1166547711 /nfs/dbraw/zinc/54/77/11/1166547711.db2.gz HRLOGTNGBCAFDY-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCn2cc[nH+]c2)C1 ZINC001691860511 1166547715 /nfs/dbraw/zinc/54/77/15/1166547715.db2.gz HRLOGTNGBCAFDY-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001403233497 976830331 /nfs/dbraw/zinc/83/03/31/976830331.db2.gz YEWGTUNNBPQHMK-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C#CCC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001567041016 1168524865 /nfs/dbraw/zinc/52/48/65/1168524865.db2.gz WUOPRTCHTJBIGW-ZDUSSCGKSA-N 2 2 273.380 1.738 10 30 CDEELP C[NH2+]C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000402153836 894152570 /nfs/dbraw/zinc/15/25/70/894152570.db2.gz NHCTXKVNFUMNPC-HNNXBMFYSA-N 2 2 259.353 1.275 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266458841 894974844 /nfs/dbraw/zinc/97/48/44/894974844.db2.gz DJAZXGHTKPXIJY-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266458841 894974851 /nfs/dbraw/zinc/97/48/51/894974851.db2.gz DJAZXGHTKPXIJY-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266458841 894974863 /nfs/dbraw/zinc/97/48/63/894974863.db2.gz DJAZXGHTKPXIJY-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266458841 894974872 /nfs/dbraw/zinc/97/48/72/894974872.db2.gz DJAZXGHTKPXIJY-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266946891 896410955 /nfs/dbraw/zinc/41/09/55/896410955.db2.gz WUJYZPZLXHOZEE-ZIAGYGMSSA-N 2 2 278.400 1.751 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267629123 899084314 /nfs/dbraw/zinc/08/43/14/899084314.db2.gz OBVIFRLAGIJXSV-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267629123 899084327 /nfs/dbraw/zinc/08/43/27/899084327.db2.gz OBVIFRLAGIJXSV-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267971054 900122302 /nfs/dbraw/zinc/12/23/02/900122302.db2.gz XLDDEDSMIJZCFB-ZIAGYGMSSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267971054 900122311 /nfs/dbraw/zinc/12/23/11/900122311.db2.gz XLDDEDSMIJZCFB-ZIAGYGMSSA-N 2 2 276.384 1.601 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001268123869 901347663 /nfs/dbraw/zinc/34/76/63/901347663.db2.gz QLVPUBFABFLIKG-AWEZNQCLSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001268214346 901584893 /nfs/dbraw/zinc/58/48/93/901584893.db2.gz PDSXHUVOUIILIP-CQSZACIVSA-N 2 2 298.390 1.702 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567832940 1169004304 /nfs/dbraw/zinc/00/43/04/1169004304.db2.gz ZYWUABCNSZZBFU-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567832940 1169004313 /nfs/dbraw/zinc/00/43/13/1169004313.db2.gz ZYWUABCNSZZBFU-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271035608 905576633 /nfs/dbraw/zinc/57/66/33/905576633.db2.gz NCVOCHHOWBWOLK-GFCCVEGCSA-N 2 2 272.352 1.570 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001482545440 906989294 /nfs/dbraw/zinc/98/92/94/906989294.db2.gz QXBTVOPFJHFVFT-CYBMUJFWSA-N 2 2 264.373 1.190 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001273577834 921396217 /nfs/dbraw/zinc/39/62/17/921396217.db2.gz GCTMUBUSJFOBLI-UHFFFAOYSA-N 2 2 290.411 1.491 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001273577834 921396225 /nfs/dbraw/zinc/39/62/25/921396225.db2.gz GCTMUBUSJFOBLI-UHFFFAOYSA-N 2 2 290.411 1.491 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001482690649 908291063 /nfs/dbraw/zinc/29/10/63/908291063.db2.gz BIMXERQGKXTVHN-UKRRQHHQSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001483412639 911082449 /nfs/dbraw/zinc/08/24/49/911082449.db2.gz YXKYJYXPQBNLPH-GFCCVEGCSA-N 2 2 278.400 1.663 10 30 CDEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001483412639 911082470 /nfs/dbraw/zinc/08/24/70/911082470.db2.gz YXKYJYXPQBNLPH-GFCCVEGCSA-N 2 2 278.400 1.663 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485384741 916924389 /nfs/dbraw/zinc/92/43/89/916924389.db2.gz XZEKDSBFANIYLR-NEPJUHHUSA-N 2 2 273.808 1.127 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485384741 916924399 /nfs/dbraw/zinc/92/43/99/916924399.db2.gz XZEKDSBFANIYLR-NEPJUHHUSA-N 2 2 273.808 1.127 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001485384741 916924406 /nfs/dbraw/zinc/92/44/06/916924406.db2.gz XZEKDSBFANIYLR-NEPJUHHUSA-N 2 2 273.808 1.127 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001485384741 916924416 /nfs/dbraw/zinc/92/44/16/916924416.db2.gz XZEKDSBFANIYLR-NEPJUHHUSA-N 2 2 273.808 1.127 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001486136883 920740106 /nfs/dbraw/zinc/74/01/06/920740106.db2.gz UCGVAOGVYCFSTL-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001486213595 920824796 /nfs/dbraw/zinc/82/47/96/920824796.db2.gz CCYAOGIANNGNIT-ZIAGYGMSSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001486478088 921054967 /nfs/dbraw/zinc/05/49/67/921054967.db2.gz NFNKOVSERWHHCZ-DNOWBOINSA-N 2 2 290.411 1.743 10 30 CDEELP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001486478088 921054979 /nfs/dbraw/zinc/05/49/79/921054979.db2.gz NFNKOVSERWHHCZ-DNOWBOINSA-N 2 2 290.411 1.743 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001274239950 931484398 /nfs/dbraw/zinc/48/43/98/931484398.db2.gz LDVJYSYAXLBKGE-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001274633155 931527037 /nfs/dbraw/zinc/52/70/37/931527037.db2.gz FVHIGMDUDLIRLY-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001274633155 931527039 /nfs/dbraw/zinc/52/70/39/931527039.db2.gz FVHIGMDUDLIRLY-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC001120557775 937810095 /nfs/dbraw/zinc/81/00/95/937810095.db2.gz AWWZGOYSURDKBL-UHFFFAOYSA-N 2 2 285.391 1.702 10 30 CDEELP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001568685776 1169430608 /nfs/dbraw/zinc/43/06/08/1169430608.db2.gz ALDKHZVQCPVQDK-CHWSQXEVSA-N 2 2 276.384 1.096 10 30 CDEELP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001568685776 1169430611 /nfs/dbraw/zinc/43/06/11/1169430611.db2.gz ALDKHZVQCPVQDK-CHWSQXEVSA-N 2 2 276.384 1.096 10 30 CDEELP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001277019102 941823392 /nfs/dbraw/zinc/82/33/92/941823392.db2.gz GRWHDFNOFXXEEW-SHTZXODSSA-N 2 2 285.391 1.738 10 30 CDEELP C#CC[N@H+]1Cc2ccc(CNC(=O)CCC[NH+](C)C)cc2C1 ZINC001281298373 942558072 /nfs/dbraw/zinc/55/80/72/942558072.db2.gz KBJKEHJHDIEXON-UHFFFAOYSA-N 2 2 299.418 1.593 10 30 CDEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)CCC[NH+](C)C)cc2C1 ZINC001281298373 942558079 /nfs/dbraw/zinc/55/80/79/942558079.db2.gz KBJKEHJHDIEXON-UHFFFAOYSA-N 2 2 299.418 1.593 10 30 CDEELP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001282681256 942738989 /nfs/dbraw/zinc/73/89/89/942738989.db2.gz GBIIJCQOYMLTAS-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001282681256 942738990 /nfs/dbraw/zinc/73/89/90/942738990.db2.gz GBIIJCQOYMLTAS-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001283679862 942965596 /nfs/dbraw/zinc/96/55/96/942965596.db2.gz XZOMBLHKDBIUOY-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001277576519 943028679 /nfs/dbraw/zinc/02/86/79/943028679.db2.gz IEEAMXPMKLNMLZ-MGPQQGTHSA-N 2 2 288.395 1.267 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001277576519 943028681 /nfs/dbraw/zinc/02/86/81/943028681.db2.gz IEEAMXPMKLNMLZ-MGPQQGTHSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001265415152 944377460 /nfs/dbraw/zinc/37/74/60/944377460.db2.gz WFMBFGXKWRMPJQ-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001265415152 944377464 /nfs/dbraw/zinc/37/74/64/944377464.db2.gz WFMBFGXKWRMPJQ-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001265415152 944377470 /nfs/dbraw/zinc/37/74/70/944377470.db2.gz WFMBFGXKWRMPJQ-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001265415152 944377477 /nfs/dbraw/zinc/37/74/77/944377477.db2.gz WFMBFGXKWRMPJQ-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP C=CC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001265740616 944484864 /nfs/dbraw/zinc/48/48/64/944484864.db2.gz IWHRAMOWRXBYQH-IYXRBSQSSA-N 2 2 290.411 1.791 10 30 CDEELP C=CC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001265740616 944484867 /nfs/dbraw/zinc/48/48/67/944484867.db2.gz IWHRAMOWRXBYQH-IYXRBSQSSA-N 2 2 290.411 1.791 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001479345187 971303856 /nfs/dbraw/zinc/30/38/56/971303856.db2.gz ABYGHHPKQFGYLL-GASCZTMLSA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001479418536 971323349 /nfs/dbraw/zinc/32/33/49/971323349.db2.gz NEMNOKGBFZOLPU-SHTZXODSSA-N 2 2 290.411 1.724 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001480239273 971641375 /nfs/dbraw/zinc/64/13/75/971641375.db2.gz JEVCSTMOWPZEGS-BETUJISGSA-N 2 2 262.357 1.086 10 30 CDEELP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001569128710 1169673583 /nfs/dbraw/zinc/67/35/83/1169673583.db2.gz UZOQRUIQOFGZQE-LBPRGKRZSA-N 2 2 270.336 1.018 10 30 CDEELP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001569128710 1169673588 /nfs/dbraw/zinc/67/35/88/1169673588.db2.gz UZOQRUIQOFGZQE-LBPRGKRZSA-N 2 2 270.336 1.018 10 30 CDEELP C#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001493846342 972124856 /nfs/dbraw/zinc/12/48/56/972124856.db2.gz FJPOOFVMHCPNOS-GFCCVEGCSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001493892465 972135107 /nfs/dbraw/zinc/13/51/07/972135107.db2.gz NHFOPGKYCYJELT-MRXNPFEDSA-N 2 2 296.374 1.272 10 30 CDEELP C#CC[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001317247778 957378672 /nfs/dbraw/zinc/37/86/72/957378672.db2.gz OYGZPDCLLONQDQ-KBPBESRZSA-N 2 2 276.384 1.198 10 30 CDEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001317667380 957631115 /nfs/dbraw/zinc/63/11/15/957631115.db2.gz ONQUACQMNACHPS-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCC[NH+]1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318129126 957936594 /nfs/dbraw/zinc/93/65/94/957936594.db2.gz HZIQNUSYYFTEIK-UHFFFAOYSA-N 2 2 290.411 1.551 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001480795825 957977087 /nfs/dbraw/zinc/97/70/87/957977087.db2.gz WZVZSTSJMSIWSF-STQMWFEESA-N 2 2 264.373 1.505 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001318376684 958065658 /nfs/dbraw/zinc/06/56/58/958065658.db2.gz ONJROKAIFPHLNH-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001318376684 958065672 /nfs/dbraw/zinc/06/56/72/958065672.db2.gz ONJROKAIFPHLNH-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001319632330 958665789 /nfs/dbraw/zinc/66/57/89/958665789.db2.gz VHNPWIHUUIWKIN-ZFWWWQNUSA-N 2 2 290.411 1.342 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001319632330 958665800 /nfs/dbraw/zinc/66/58/00/958665800.db2.gz VHNPWIHUUIWKIN-ZFWWWQNUSA-N 2 2 290.411 1.342 10 30 CDEELP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001319867366 958760731 /nfs/dbraw/zinc/76/07/31/958760731.db2.gz CSRBHTZKNCHBCN-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001320653518 959298181 /nfs/dbraw/zinc/29/81/81/959298181.db2.gz VOOFCJIHLFAERR-ZDUSSCGKSA-N 2 2 264.373 1.334 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322204902 960132368 /nfs/dbraw/zinc/13/23/68/960132368.db2.gz CJUIDCODEWAZDE-LBPRGKRZSA-N 2 2 272.352 1.570 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322204902 960132374 /nfs/dbraw/zinc/13/23/74/960132374.db2.gz CJUIDCODEWAZDE-LBPRGKRZSA-N 2 2 272.352 1.570 10 30 CDEELP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001495470363 972512436 /nfs/dbraw/zinc/51/24/36/972512436.db2.gz LIAHFNCJWXVGAO-KKUMJFAQSA-N 2 2 288.395 1.484 10 30 CDEELP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001495470364 972512669 /nfs/dbraw/zinc/51/26/69/972512669.db2.gz LIAHFNCJWXVGAO-RBSFLKMASA-N 2 2 288.395 1.484 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001323372174 960689160 /nfs/dbraw/zinc/68/91/60/960689160.db2.gz RWLWMTAJBOPGMK-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001323372174 960689166 /nfs/dbraw/zinc/68/91/66/960689166.db2.gz RWLWMTAJBOPGMK-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001323372174 960689174 /nfs/dbraw/zinc/68/91/74/960689174.db2.gz RWLWMTAJBOPGMK-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001323372174 960689182 /nfs/dbraw/zinc/68/91/82/960689182.db2.gz RWLWMTAJBOPGMK-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001324235003 961252312 /nfs/dbraw/zinc/25/23/12/961252312.db2.gz KGJQDQDUZMXKLJ-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001419786514 962106919 /nfs/dbraw/zinc/10/69/19/962106919.db2.gz GATBALCBFIPLCR-NWDGAFQWSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001496362409 972897612 /nfs/dbraw/zinc/89/76/12/972897612.db2.gz RALYMRGHPLTNIA-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001496445516 972925729 /nfs/dbraw/zinc/92/57/29/972925729.db2.gz BYQQOOIFJNOWJI-OCCSQVGLSA-N 2 2 288.395 1.111 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001496465546 972931039 /nfs/dbraw/zinc/93/10/39/972931039.db2.gz YMEMUWVODICBSP-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497218467 973249389 /nfs/dbraw/zinc/24/93/89/973249389.db2.gz PVAFCTZCEFCCSQ-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001418115722 973594198 /nfs/dbraw/zinc/59/41/98/973594198.db2.gz PVFOKOYJCJPDNV-TXEJJXNPSA-N 2 2 296.802 1.342 10 30 CDEELP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001498313119 973824760 /nfs/dbraw/zinc/82/47/60/973824760.db2.gz ZRZJHNVSCGCTSK-HUUCEWRRSA-N 2 2 290.411 1.540 10 30 CDEELP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001498313119 973824767 /nfs/dbraw/zinc/82/47/67/973824767.db2.gz ZRZJHNVSCGCTSK-HUUCEWRRSA-N 2 2 290.411 1.540 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001498492631 973948186 /nfs/dbraw/zinc/94/81/86/973948186.db2.gz UXEIFWFAVQGSHU-GJZGRUSLSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498571576 973986669 /nfs/dbraw/zinc/98/66/69/973986669.db2.gz JDTMHHANBVVNFO-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCCC ZINC001498998676 974155979 /nfs/dbraw/zinc/15/59/79/974155979.db2.gz QIGKFKIWDDVHDC-HOTGVXAUSA-N 2 2 291.439 1.465 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCC ZINC001498998676 974155983 /nfs/dbraw/zinc/15/59/83/974155983.db2.gz QIGKFKIWDDVHDC-HOTGVXAUSA-N 2 2 291.439 1.465 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCC ZINC001498998676 974155987 /nfs/dbraw/zinc/15/59/87/974155987.db2.gz QIGKFKIWDDVHDC-HOTGVXAUSA-N 2 2 291.439 1.465 10 30 CDEELP C=CC[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001500439041 974436885 /nfs/dbraw/zinc/43/68/85/974436885.db2.gz FLSXYPBSYQEPJQ-UHFFFAOYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001407184688 976595783 /nfs/dbraw/zinc/59/57/83/976595783.db2.gz QWNWPCVDXGNJRI-AWEZNQCLSA-N 2 2 285.819 1.415 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001407184688 976595794 /nfs/dbraw/zinc/59/57/94/976595794.db2.gz QWNWPCVDXGNJRI-AWEZNQCLSA-N 2 2 285.819 1.415 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001403233497 976830323 /nfs/dbraw/zinc/83/03/23/976830323.db2.gz YEWGTUNNBPQHMK-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001403233497 976830303 /nfs/dbraw/zinc/83/03/03/976830303.db2.gz YEWGTUNNBPQHMK-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001403233497 976830313 /nfs/dbraw/zinc/83/03/13/976830313.db2.gz YEWGTUNNBPQHMK-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001674491552 1173953843 /nfs/dbraw/zinc/95/38/43/1173953843.db2.gz OHYLEQJOCCJTHF-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001674491552 1173953844 /nfs/dbraw/zinc/95/38/44/1173953844.db2.gz OHYLEQJOCCJTHF-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001676473864 1174230027 /nfs/dbraw/zinc/23/00/27/1174230027.db2.gz ZEWYJSQMFBTVNM-GFCCVEGCSA-N 2 2 278.400 1.663 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001676734326 1174264119 /nfs/dbraw/zinc/26/41/19/1174264119.db2.gz CKZZNWBQZMPYOW-TZMCWYRMSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001676734326 1174264125 /nfs/dbraw/zinc/26/41/25/1174264125.db2.gz CKZZNWBQZMPYOW-TZMCWYRMSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001677257411 1174341345 /nfs/dbraw/zinc/34/13/45/1174341345.db2.gz CKJDLUOTXHFKNI-ZDUSSCGKSA-N 2 2 278.400 1.649 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001677257411 1174341352 /nfs/dbraw/zinc/34/13/52/1174341352.db2.gz CKJDLUOTXHFKNI-ZDUSSCGKSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001570684607 1170230719 /nfs/dbraw/zinc/23/07/19/1170230719.db2.gz WUYCADQFNFPANC-UHFFFAOYSA-N 2 2 278.400 1.603 10 30 CDEELP C=CCC[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001571660912 1170512454 /nfs/dbraw/zinc/51/24/54/1170512454.db2.gz VZBVTMZBOWFLKO-UHFFFAOYSA-N 2 2 276.384 1.428 10 30 CDEELP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001656448557 1171825202 /nfs/dbraw/zinc/82/52/02/1171825202.db2.gz RSGSVEKTKBLJGK-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000351605517 361796314 /nfs/dbraw/zinc/79/63/14/361796314.db2.gz OBTNVMZSCUVRBT-LLVKDONJSA-N 2 2 263.366 1.960 10 30 CDEELP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1C#N ZINC000596106646 343228516 /nfs/dbraw/zinc/22/85/16/343228516.db2.gz QPPPVFAXEMIMJJ-UHFFFAOYSA-N 2 2 257.337 1.408 10 30 CDEELP C=CCOc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000635001531 360639330 /nfs/dbraw/zinc/63/93/30/360639330.db2.gz VJUSQKMVUBFGNU-UHFFFAOYSA-N 2 2 290.407 1.798 10 30 CDEELP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581491730 363997603 /nfs/dbraw/zinc/99/76/03/363997603.db2.gz FUCNNODFTVLHFB-CYBMUJFWSA-N 2 2 288.351 1.850 10 30 CDEELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581491730 363997605 /nfs/dbraw/zinc/99/76/05/363997605.db2.gz FUCNNODFTVLHFB-CYBMUJFWSA-N 2 2 288.351 1.850 10 30 CDEELP N#CC1(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCC1 ZINC000375535393 370855915 /nfs/dbraw/zinc/85/59/15/370855915.db2.gz NZEGQNKJVDRBKA-UHFFFAOYSA-N 2 2 287.367 1.152 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152476 412908316 /nfs/dbraw/zinc/90/83/16/412908316.db2.gz FYHZOKIBEQRINI-HIFRSBDPSA-N 2 2 250.386 1.319 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152476 412908320 /nfs/dbraw/zinc/90/83/20/412908320.db2.gz FYHZOKIBEQRINI-HIFRSBDPSA-N 2 2 250.386 1.319 10 30 CDEELP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001662789734 1172594623 /nfs/dbraw/zinc/59/46/23/1172594623.db2.gz ASRKLTWKBHYFNP-UONOGXRCSA-N 2 2 288.395 1.003 10 30 CDEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421327453 392931111 /nfs/dbraw/zinc/93/11/11/392931111.db2.gz QIHOWGZOQUFKHW-OAHLLOKOSA-N 2 2 291.370 1.898 10 30 CDEELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421327453 392931115 /nfs/dbraw/zinc/93/11/15/392931115.db2.gz QIHOWGZOQUFKHW-OAHLLOKOSA-N 2 2 291.370 1.898 10 30 CDEELP C=CC[C@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662658827 413262652 /nfs/dbraw/zinc/26/26/52/413262652.db2.gz GGNWFSYXUHXKBV-CQSZACIVSA-N 2 2 262.357 1.088 10 30 CDEELP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662251418 414585354 /nfs/dbraw/zinc/58/53/54/414585354.db2.gz BWGGDBVKBOPXBX-MRXNPFEDSA-N 2 2 276.380 1.672 10 30 CDEELP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662251418 414585355 /nfs/dbraw/zinc/58/53/55/414585355.db2.gz BWGGDBVKBOPXBX-MRXNPFEDSA-N 2 2 276.380 1.672 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040623271 174355799 /nfs/dbraw/zinc/35/57/99/174355799.db2.gz JTJPRQBDCPNVQE-HNNXBMFYSA-N 3 2 263.429 1.404 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040623271 174355800 /nfs/dbraw/zinc/35/58/00/174355800.db2.gz JTJPRQBDCPNVQE-HNNXBMFYSA-N 3 2 263.429 1.404 10 30 CDEELP N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044559117 175203370 /nfs/dbraw/zinc/20/33/70/175203370.db2.gz QGTUPJSPFDFYTH-HNNXBMFYSA-N 2 2 286.379 1.700 10 30 CDEELP N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044559117 175203371 /nfs/dbraw/zinc/20/33/71/175203371.db2.gz QGTUPJSPFDFYTH-HNNXBMFYSA-N 2 2 286.379 1.700 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001666932258 1173208697 /nfs/dbraw/zinc/20/86/97/1173208697.db2.gz BQIPASPKDCEVJH-CYBMUJFWSA-N 2 2 278.400 1.549 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001669323889 1173536481 /nfs/dbraw/zinc/53/64/81/1173536481.db2.gz RDLHHKHHAZXWBK-CABCVRRESA-N 2 2 290.411 1.588 10 30 CDEELP C[NH+]1CCC(CNC(=[NH2+])NC2CC2)([NH+]2CCCCC2)CC1 ZINC000262661817 330025071 /nfs/dbraw/zinc/02/50/71/330025071.db2.gz LYPROQQDOKKBFO-UHFFFAOYSA-N 3 2 293.459 1.003 10 30 CDEELP C[C@H]([NH2+]CC(=O)NCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909772 333200259 /nfs/dbraw/zinc/20/02/59/333200259.db2.gz UMWUATDTFWNOCM-LBPRGKRZSA-N 2 2 283.335 1.163 10 30 CDEELP C=CCC[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001715507260 1179687262 /nfs/dbraw/zinc/68/72/62/1179687262.db2.gz MQSBHDHBMUOEJF-GFCCVEGCSA-N 2 2 264.373 1.259 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000049608494 523514731 /nfs/dbraw/zinc/51/47/31/523514731.db2.gz TZWTWRLYRJNWOA-ZDUSSCGKSA-N 2 2 274.364 1.226 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000049608494 523514746 /nfs/dbraw/zinc/51/47/46/523514746.db2.gz TZWTWRLYRJNWOA-ZDUSSCGKSA-N 2 2 274.364 1.226 10 30 CDEELP C[C@H](C[C@](C)(N)C#N)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000068612078 524654167 /nfs/dbraw/zinc/65/41/67/524654167.db2.gz BPJWNPHYUBNGDQ-ZBFHGGJFSA-N 2 2 278.444 1.956 10 30 CDEELP C[C@H](C[C@](C)([NH3+])C#N)N1CCC([NH+]2CCCCC2)CC1 ZINC000068612078 524654177 /nfs/dbraw/zinc/65/41/77/524654177.db2.gz BPJWNPHYUBNGDQ-ZBFHGGJFSA-N 2 2 278.444 1.956 10 30 CDEELP C[C@@H](C[C@@](C)(N)C#N)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000068612081 524850773 /nfs/dbraw/zinc/85/07/73/524850773.db2.gz BPJWNPHYUBNGDQ-GOEBONIOSA-N 2 2 278.444 1.956 10 30 CDEELP C[C@@H](C[C@@](C)([NH3+])C#N)N1CCC([NH+]2CCCCC2)CC1 ZINC000068612081 524850780 /nfs/dbraw/zinc/85/07/80/524850780.db2.gz BPJWNPHYUBNGDQ-GOEBONIOSA-N 2 2 278.444 1.956 10 30 CDEELP C#CC[NH+]1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000895807854 619854967 /nfs/dbraw/zinc/85/49/67/619854967.db2.gz ULZYJJMJLCTAGI-UHFFFAOYSA-N 2 2 285.395 1.586 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691100198 1158908801 /nfs/dbraw/zinc/90/88/01/1158908801.db2.gz OZRSNQNPYNKRME-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691100198 1158908804 /nfs/dbraw/zinc/90/88/04/1158908804.db2.gz OZRSNQNPYNKRME-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP CC#CC[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001567039336 1168524919 /nfs/dbraw/zinc/52/49/19/1168524919.db2.gz PKEIHXHZBMJLRT-AWEZNQCLSA-N 2 2 296.374 1.604 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)CCc1c[nH+]cn1C ZINC001568957893 1169564529 /nfs/dbraw/zinc/56/45/29/1169564529.db2.gz DXSQTDAKJVUSCC-SNAWJCMRSA-N 2 2 276.384 1.191 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001661960142 1172471363 /nfs/dbraw/zinc/47/13/63/1172471363.db2.gz ZRRIBYGQTOHQFR-AWEZNQCLSA-N 2 2 290.411 1.889 10 30 CDEELP CC#CC[NH2+]CCN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001668469332 1173416774 /nfs/dbraw/zinc/41/67/74/1173416774.db2.gz SOANCORKJUOZCE-UHFFFAOYSA-N 2 2 284.363 1.638 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001676783617 1174271581 /nfs/dbraw/zinc/27/15/81/1174271581.db2.gz MJMZNHJLBSJDRR-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504792 1175482831 /nfs/dbraw/zinc/48/28/31/1175482831.db2.gz INJQIFDTIIXIDQ-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504792 1175482833 /nfs/dbraw/zinc/48/28/33/1175482833.db2.gz INJQIFDTIIXIDQ-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001692030173 1175667713 /nfs/dbraw/zinc/66/77/13/1175667713.db2.gz FIIDQRAMEDBDME-UHFFFAOYSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001692030173 1175667718 /nfs/dbraw/zinc/66/77/18/1175667718.db2.gz FIIDQRAMEDBDME-UHFFFAOYSA-N 2 2 290.411 1.630 10 30 CDEELP CC#CC[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699114198 1176100379 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ZINC000174300220 379444753 /nfs/dbraw/zinc/44/47/53/379444753.db2.gz YVUNRIZDOFXKJX-GFCCVEGCSA-N 2 2 263.341 1.088 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](C)CCc1ccncc1 ZINC000045312668 175357311 /nfs/dbraw/zinc/35/73/11/175357311.db2.gz HLSVWEQDDMZVNL-HNNXBMFYSA-N 2 2 260.385 1.838 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](C)CCc1ccncc1 ZINC000045312668 175357312 /nfs/dbraw/zinc/35/73/12/175357312.db2.gz HLSVWEQDDMZVNL-HNNXBMFYSA-N 2 2 260.385 1.838 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315805 175357712 /nfs/dbraw/zinc/35/77/12/175357712.db2.gz LMNPBYBTTPZVAS-MRXNPFEDSA-N 3 2 280.460 1.932 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](CCCOC)CCOC ZINC000045317000 175357842 /nfs/dbraw/zinc/35/78/42/175357842.db2.gz UHEOHLHRKYDBGJ-CQSZACIVSA-N 2 2 271.405 1.253 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](CCCOC)CCOC ZINC000045317000 175357843 /nfs/dbraw/zinc/35/78/43/175357843.db2.gz UHEOHLHRKYDBGJ-CQSZACIVSA-N 2 2 271.405 1.253 10 30 CDEELP 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C#C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000769960684 575403389 /nfs/dbraw/zinc/40/33/89/575403389.db2.gz GPPVOSMXPWXSMG-GDBMZVCRSA-N 2 2 260.381 1.433 10 30 CDEELP C#C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000769960684 575403380 /nfs/dbraw/zinc/40/33/80/575403380.db2.gz GPPVOSMXPWXSMG-GDBMZVCRSA-N 2 2 260.381 1.433 10 30 CDEELP C#C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000769960684 575403384 /nfs/dbraw/zinc/40/33/84/575403384.db2.gz GPPVOSMXPWXSMG-GDBMZVCRSA-N 2 2 260.381 1.433 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001688881456 1175049946 /nfs/dbraw/zinc/04/99/46/1175049946.db2.gz SKZNZAKLJDNMJS-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001688881456 1175049952 /nfs/dbraw/zinc/04/99/52/1175049952.db2.gz SKZNZAKLJDNMJS-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001689882401 1175294189 /nfs/dbraw/zinc/29/41/89/1175294189.db2.gz ZOJBAQUOMGHJDF-UHFFFAOYSA-N 2 2 264.373 1.275 10 30 CDEELP C=CCC[N@@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001689882401 1175294197 /nfs/dbraw/zinc/29/41/97/1175294197.db2.gz ZOJBAQUOMGHJDF-UHFFFAOYSA-N 2 2 264.373 1.275 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248691 613521561 /nfs/dbraw/zinc/52/15/61/613521561.db2.gz YTGDRVDFXPJSIK-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248691 613521563 /nfs/dbraw/zinc/52/15/63/613521563.db2.gz YTGDRVDFXPJSIK-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC1(O)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000895671848 619797269 /nfs/dbraw/zinc/79/72/69/619797269.db2.gz YUMOWWURDJNUDM-UHFFFAOYSA-N 2 2 296.374 1.618 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000901040618 623832292 /nfs/dbraw/zinc/83/22/92/623832292.db2.gz KQNHFPOXESQDCG-ZFWWWQNUSA-N 2 2 290.411 1.801 10 30 CDEELP C=CC[N@@H+](CCNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001691219822 1158963214 /nfs/dbraw/zinc/96/32/14/1158963214.db2.gz UIIWGRNWBZBSDZ-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@H+](CCNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001691219822 1158963219 /nfs/dbraw/zinc/96/32/19/1158963219.db2.gz UIIWGRNWBZBSDZ-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001566776770 1168416382 /nfs/dbraw/zinc/41/63/82/1168416382.db2.gz FSAJXFOFABBIFI-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001566805388 1168429868 /nfs/dbraw/zinc/42/98/68/1168429868.db2.gz KZUUPXKNURMOGA-MGPQQGTHSA-N 2 2 274.368 1.094 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001566811001 1168430360 /nfs/dbraw/zinc/43/03/60/1168430360.db2.gz LTKMXSODGBFYTG-MRVWCRGKSA-N 2 2 290.411 1.852 10 30 CDEELP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001661890760 1172461779 /nfs/dbraw/zinc/46/17/79/1172461779.db2.gz KZIXEOOPTVGDQT-AWEZNQCLSA-N 2 2 288.395 1.255 10 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C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001733174683 1183316992 /nfs/dbraw/zinc/31/69/92/1183316992.db2.gz MAUDVFLLTWZNOH-HIFRSBDPSA-N 2 2 288.395 1.116 10 30 CDEELP C#CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001733671126 1183494279 /nfs/dbraw/zinc/49/42/79/1183494279.db2.gz IETLLTXCFSWWPJ-ZDUSSCGKSA-N 2 2 288.395 1.149 10 30 CDEELP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001733998849 1183609319 /nfs/dbraw/zinc/60/93/19/1183609319.db2.gz QNTOYLFNROTIHI-NEPJUHHUSA-N 2 2 264.373 1.401 10 30 CDEELP CC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001734151121 1183675765 /nfs/dbraw/zinc/67/57/65/1183675765.db2.gz YTNCPPPUQHICAY-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP CC#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001734151121 1183675766 /nfs/dbraw/zinc/67/57/66/1183675766.db2.gz YTNCPPPUQHICAY-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001734215125 1183693252 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1.027 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001270143562 904393639 /nfs/dbraw/zinc/39/36/39/904393639.db2.gz LKYBORIJHNPFIW-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001270143562 904393650 /nfs/dbraw/zinc/39/36/50/904393650.db2.gz LKYBORIJHNPFIW-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001271751229 906774615 /nfs/dbraw/zinc/77/46/15/906774615.db2.gz MOVWHKWPLOBICP-SWLSCSKDSA-N 2 2 290.411 1.663 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482844948 908423094 /nfs/dbraw/zinc/42/30/94/908423094.db2.gz IVQBZSWAAOUEGU-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001567963396 1169097892 /nfs/dbraw/zinc/09/78/92/1169097892.db2.gz ZLHJPARQDXOSQD-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001567963396 1169097901 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CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001568417012 1169279755 /nfs/dbraw/zinc/27/97/55/1169279755.db2.gz QXBKVZFFGSOLSH-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP O=C(C#CC1CC[NH2+]CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000852864060 927901962 /nfs/dbraw/zinc/90/19/62/927901962.db2.gz WAAGRLWFWJLQDH-UHFFFAOYSA-N 2 2 286.379 1.050 10 30 CDEELP C#CCC[NH2+]C/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001274219541 931243831 /nfs/dbraw/zinc/24/38/31/931243831.db2.gz DPEGTRWFKXRAFP-FPLPWBNLSA-N 2 2 285.391 1.906 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001274818641 931587369 /nfs/dbraw/zinc/58/73/69/931587369.db2.gz ORPWBCYIGUAUKU-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001275865064 932101140 /nfs/dbraw/zinc/10/11/40/932101140.db2.gz DNTIWXODDWYNFG-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001275865064 932101142 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WGKDVVGGVITNEB-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001506540103 975175779 /nfs/dbraw/zinc/17/57/79/975175779.db2.gz XYKCZVAQMFAUNY-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001506540103 975175781 /nfs/dbraw/zinc/17/57/81/975175781.db2.gz XYKCZVAQMFAUNY-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001402144799 976145564 /nfs/dbraw/zinc/14/55/64/976145564.db2.gz LSDUGTPSFJBZST-TZMCWYRMSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001402144799 976145573 /nfs/dbraw/zinc/14/55/73/976145573.db2.gz LSDUGTPSFJBZST-TZMCWYRMSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001402412004 976271794 /nfs/dbraw/zinc/27/17/94/976271794.db2.gz FDHCIFSKLQAQKX-JQWIXIFHSA-N 2 2 296.802 1.389 10 30 CDEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001394408988 978153678 /nfs/dbraw/zinc/15/36/78/978153678.db2.gz IDPJAYYQWUNFTQ-GFCCVEGCSA-N 2 2 298.818 1.825 10 30 CDEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001674861048 1174016386 /nfs/dbraw/zinc/01/63/86/1174016386.db2.gz XPJRJTBYRHPXII-UHFFFAOYSA-N 2 2 276.384 1.050 10 30 CDEELP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001570461409 1170164153 /nfs/dbraw/zinc/16/41/53/1170164153.db2.gz ZNPRQJZKARPIAY-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001570513018 1170174163 /nfs/dbraw/zinc/17/41/63/1170174163.db2.gz ULBKQMWCOCKJRU-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001570648552 1170221806 /nfs/dbraw/zinc/22/18/06/1170221806.db2.gz ZGDHJQPGVQILEI-GHMZBOCLSA-N 2 2 264.373 1.320 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001652463595 1171436791 /nfs/dbraw/zinc/43/67/91/1171436791.db2.gz FWQOXNABXMMTKX-UHFFFAOYSA-N 2 2 250.346 1.096 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001652463595 1171436796 /nfs/dbraw/zinc/43/67/96/1171436796.db2.gz FWQOXNABXMMTKX-UHFFFAOYSA-N 2 2 250.346 1.096 10 30 CDEELP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001656448560 1171827233 /nfs/dbraw/zinc/82/72/33/1171827233.db2.gz RSGSVEKTKBLJGK-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001657384065 1171958827 /nfs/dbraw/zinc/95/88/27/1171958827.db2.gz MWJVVVKCYCOZFE-NEPJUHHUSA-N 2 2 267.398 1.638 10 30 CDEELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000593968676 342858423 /nfs/dbraw/zinc/85/84/23/342858423.db2.gz WWUZKUCWBOZYLQ-ZDUSSCGKSA-N 2 2 267.336 1.676 10 30 CDEELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000593968676 342858424 /nfs/dbraw/zinc/85/84/24/342858424.db2.gz WWUZKUCWBOZYLQ-ZDUSSCGKSA-N 2 2 267.336 1.676 10 30 CDEELP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445925 342908745 /nfs/dbraw/zinc/90/87/45/342908745.db2.gz MHLLSDLIMVNBMA-ZDUSSCGKSA-N 2 2 277.372 1.143 10 30 CDEELP Cc1cccn2cc(CC[NH2+]C[C@@H](O)CC3(C#N)CC3)[nH+]c12 ZINC000600731689 342245792 /nfs/dbraw/zinc/24/57/92/342245792.db2.gz YOSFGMYFXUPQMP-HNNXBMFYSA-N 2 2 298.390 1.830 10 30 CDEELP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000595977427 343209188 /nfs/dbraw/zinc/20/91/88/343209188.db2.gz IRGJFOJEDZCMRO-NWDGAFQWSA-N 2 2 277.372 1.491 10 30 CDEELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC3(C#N)CC3)c2)CC1 ZINC000601808130 344266522 /nfs/dbraw/zinc/26/65/22/344266522.db2.gz UYEJERXJHQLLAH-UHFFFAOYSA-N 2 2 299.378 1.466 10 30 CDEELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135179281 357759939 /nfs/dbraw/zinc/75/99/39/357759939.db2.gz WUKATHOZSJNGKY-ZDUSSCGKSA-N 2 2 253.390 1.627 10 30 CDEELP CC[N@H+]1CCO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135179281 357759941 /nfs/dbraw/zinc/75/99/41/357759941.db2.gz WUKATHOZSJNGKY-ZDUSSCGKSA-N 2 2 253.390 1.627 10 30 CDEELP N#Cc1ccc2[nH+]cc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)n2c1 ZINC000538736641 358893821 /nfs/dbraw/zinc/89/38/21/358893821.db2.gz SWNHRFRHVKIGMK-DZGCQCFKSA-N 2 2 281.363 1.390 10 30 CDEELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)C[N@H+](C)CCC#N ZINC000570626337 363825018 /nfs/dbraw/zinc/82/50/18/363825018.db2.gz HYQCJYMWUJKMLJ-BZUAXINKSA-N 2 2 296.459 1.045 10 30 CDEELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000570626337 363825025 /nfs/dbraw/zinc/82/50/25/363825025.db2.gz HYQCJYMWUJKMLJ-BZUAXINKSA-N 2 2 296.459 1.045 10 30 CDEELP N#Cc1ccc2ncc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000548317599 366889779 /nfs/dbraw/zinc/88/97/79/366889779.db2.gz AAANHXCQBORKRR-ZDUSSCGKSA-N 2 2 292.346 1.507 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001661369822 1172378454 /nfs/dbraw/zinc/37/84/54/1172378454.db2.gz ZURYHGSKQFBJBA-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000655941461 412954891 /nfs/dbraw/zinc/95/48/91/412954891.db2.gz UZYJLYQNZVRRBY-GDBMZVCRSA-N 2 2 289.427 1.818 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000655941461 412954894 /nfs/dbraw/zinc/95/48/94/412954894.db2.gz UZYJLYQNZVRRBY-GDBMZVCRSA-N 2 2 289.427 1.818 10 30 CDEELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000404099721 391464328 /nfs/dbraw/zinc/46/43/28/391464328.db2.gz YYQLIRLTWMVYQC-UHFFFAOYSA-N 2 2 258.300 1.763 10 30 CDEELP C=C1CC(C)(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000631277258 392722828 /nfs/dbraw/zinc/72/28/28/392722828.db2.gz XSFHJCCBHNVLJF-UHFFFAOYSA-N 2 2 293.455 1.827 10 30 CDEELP C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000631277258 392722829 /nfs/dbraw/zinc/72/28/29/392722829.db2.gz XSFHJCCBHNVLJF-UHFFFAOYSA-N 2 2 293.455 1.827 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001664859858 1172919758 /nfs/dbraw/zinc/91/97/58/1172919758.db2.gz YBIYFGIMBNJPND-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001664859858 1172919761 /nfs/dbraw/zinc/91/97/61/1172919761.db2.gz YBIYFGIMBNJPND-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCN1CCC[N@H+](C)CC1 ZINC000045179749 175323888 /nfs/dbraw/zinc/32/38/88/175323888.db2.gz ZKDAQXXSKXQHCJ-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCN1CCC[N@@H+](C)CC1 ZINC000045179749 175323889 /nfs/dbraw/zinc/32/38/89/175323889.db2.gz ZKDAQXXSKXQHCJ-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP CCC[NH+]1CCN(CCC[C@@](C)(C#N)[NH2+]CC)CC1 ZINC000045306439 175355372 /nfs/dbraw/zinc/35/53/72/175355372.db2.gz CYVKABOSJOZZEG-HNNXBMFYSA-N 2 2 266.433 1.686 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001668097033 1173368334 /nfs/dbraw/zinc/36/83/34/1173368334.db2.gz PYOAZYWWDPURSL-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001668097033 1173368339 /nfs/dbraw/zinc/36/83/39/1173368339.db2.gz PYOAZYWWDPURSL-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000559185430 327145167 /nfs/dbraw/zinc/14/51/67/327145167.db2.gz FHLVTBWTNUAGSW-ZIAGYGMSSA-N 2 2 286.379 1.904 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)nn1 ZINC000424298687 330336655 /nfs/dbraw/zinc/33/66/55/330336655.db2.gz SZDQABIOMBBMRB-RRFJBIMHSA-N 2 2 275.400 1.427 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)nn1 ZINC000424298687 330336656 /nfs/dbraw/zinc/33/66/56/330336656.db2.gz SZDQABIOMBBMRB-RRFJBIMHSA-N 2 2 275.400 1.427 10 30 CDEELP CCC[NH2+][C@H](C#N)CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000062438973 520059696 /nfs/dbraw/zinc/05/96/96/520059696.db2.gz KXFUQVYEAHMWGV-CABCVRRESA-N 2 2 266.433 1.684 10 30 CDEELP CC1(C)COCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609894 520504743 /nfs/dbraw/zinc/50/47/43/520504743.db2.gz ITCYOSXCJSBBEQ-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP CC1(C)COCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609894 520504747 /nfs/dbraw/zinc/50/47/47/520504747.db2.gz ITCYOSXCJSBBEQ-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000179633359 535944301 /nfs/dbraw/zinc/94/43/01/535944301.db2.gz TWAYELDXEWXRGM-AWEZNQCLSA-N 2 2 283.379 1.589 10 30 CDEELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000179633359 535944305 /nfs/dbraw/zinc/94/43/05/535944305.db2.gz TWAYELDXEWXRGM-AWEZNQCLSA-N 2 2 283.379 1.589 10 30 CDEELP C[NH+](C)C[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000179633359 535944309 /nfs/dbraw/zinc/94/43/09/535944309.db2.gz TWAYELDXEWXRGM-AWEZNQCLSA-N 2 2 283.379 1.589 10 30 CDEELP CC#CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001691759968 1174599326 /nfs/dbraw/zinc/59/93/26/1174599326.db2.gz FBZOKDKLJDOAOB-UHFFFAOYSA-N 2 2 290.411 1.203 10 30 CDEELP CC#CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001691759968 1174599329 /nfs/dbraw/zinc/59/93/29/1174599329.db2.gz FBZOKDKLJDOAOB-UHFFFAOYSA-N 2 2 290.411 1.203 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247194 613018261 /nfs/dbraw/zinc/01/82/61/613018261.db2.gz FVCXHSHHTZPCBF-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247194 613018262 /nfs/dbraw/zinc/01/82/62/613018262.db2.gz FVCXHSHHTZPCBF-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1C#N ZINC000925836842 617866826 /nfs/dbraw/zinc/86/68/26/617866826.db2.gz DTQCKGNJRPSUCW-SJORKVTESA-N 2 2 285.391 1.723 10 30 CDEELP N#CCc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925708518 617798430 /nfs/dbraw/zinc/79/84/30/617798430.db2.gz UAIQLSYNFVOIES-SMLCLMEVSA-N 2 2 267.376 1.839 10 30 CDEELP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1C#N ZINC000925836535 617867110 /nfs/dbraw/zinc/86/71/10/617867110.db2.gz BWPNIKSSCVWMNZ-DWBZUHSKSA-N 2 2 267.376 1.953 10 30 CDEELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000902796182 625415597 /nfs/dbraw/zinc/41/55/97/625415597.db2.gz KVUZRXANYUJCFJ-JSGCOSHPSA-N 2 2 258.369 1.946 10 30 CDEELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000902796182 625415601 /nfs/dbraw/zinc/41/56/01/625415601.db2.gz KVUZRXANYUJCFJ-JSGCOSHPSA-N 2 2 258.369 1.946 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)o1 ZINC000903956993 626157729 /nfs/dbraw/zinc/15/77/29/626157729.db2.gz ORCUFZAYYSCRLH-SECBINFHSA-N 2 2 255.268 1.486 10 30 CDEELP C=CC[NH+]1CCC([NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000905093846 626635602 /nfs/dbraw/zinc/63/56/02/626635602.db2.gz CLWYJWVQIMDCHB-LBPRGKRZSA-N 2 2 280.334 1.930 10 30 CDEELP C=C(C)C[C@@H]([NH2+]CC1CC[NH+](CC)CC1)C(=O)OC ZINC001659832824 1158709987 /nfs/dbraw/zinc/70/99/87/1158709987.db2.gz SYRBPPDWRSPZNA-CQSZACIVSA-N 2 2 268.401 1.816 10 30 CDEELP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053351 1158843366 /nfs/dbraw/zinc/84/33/66/1158843366.db2.gz OQWSAKSAPWABCA-HNNXBMFYSA-N 2 2 291.439 1.417 10 30 CDEELP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053351 1158843371 /nfs/dbraw/zinc/84/33/71/1158843371.db2.gz OQWSAKSAPWABCA-HNNXBMFYSA-N 2 2 291.439 1.417 10 30 CDEELP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001567170574 1168606086 /nfs/dbraw/zinc/60/60/86/1168606086.db2.gz XRDKPOVQAOKGAX-KBPBESRZSA-N 2 2 276.384 1.476 10 30 CDEELP CC#CC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001568497494 1169330279 /nfs/dbraw/zinc/33/02/79/1169330279.db2.gz GRRVSXWHPZCLSW-UHFFFAOYSA-N 2 2 290.411 1.420 10 30 CDEELP CC#CC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001568497494 1169330286 /nfs/dbraw/zinc/33/02/86/1169330286.db2.gz GRRVSXWHPZCLSW-UHFFFAOYSA-N 2 2 290.411 1.420 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001568542763 1169355929 /nfs/dbraw/zinc/35/59/29/1169355929.db2.gz SJWVAUPJAZDVEN-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001569306148 1169756704 /nfs/dbraw/zinc/75/67/04/1169756704.db2.gz IIVJPZQZJGRZTO-MGPQQGTHSA-N 2 2 286.379 1.021 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001569306148 1169756709 /nfs/dbraw/zinc/75/67/09/1169756709.db2.gz IIVJPZQZJGRZTO-MGPQQGTHSA-N 2 2 286.379 1.021 10 30 CDEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001661254769 1172360975 /nfs/dbraw/zinc/36/09/75/1172360975.db2.gz SKZHXRUPLCYSBV-QLFBSQMISA-N 2 2 297.418 1.528 10 30 CDEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001661254769 1172360982 /nfs/dbraw/zinc/36/09/82/1172360982.db2.gz SKZHXRUPLCYSBV-QLFBSQMISA-N 2 2 297.418 1.528 10 30 CDEELP C=CC[NH2+]CCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001662814183 1172596541 /nfs/dbraw/zinc/59/65/41/1172596541.db2.gz NHMHYEQZFJEIQA-UHFFFAOYSA-N 2 2 298.390 1.587 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001662940363 1172618250 /nfs/dbraw/zinc/61/82/50/1172618250.db2.gz NTDCELSUDSACAS-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001667400474 1173262962 /nfs/dbraw/zinc/26/29/62/1173262962.db2.gz JXGPWUDOTBOFPG-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001603023265 1175478907 /nfs/dbraw/zinc/47/89/07/1175478907.db2.gz MMSNLSQWQUEPQB-UHFFFAOYSA-N 2 2 273.380 1.236 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001698846923 1175961923 /nfs/dbraw/zinc/96/19/23/1175961923.db2.gz CEKLYLZPLLXRTJ-AWEZNQCLSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001699970096 1176701466 /nfs/dbraw/zinc/70/14/66/1176701466.db2.gz JYOSJOYXVLPSIO-OLZOCXBDSA-N 2 2 276.384 1.212 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001700139543 1176766475 /nfs/dbraw/zinc/76/64/75/1176766475.db2.gz LSTZCANXUUBPMZ-AWEZNQCLSA-N 2 2 288.395 1.486 10 30 CDEELP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700441526 1176931298 /nfs/dbraw/zinc/93/12/98/1176931298.db2.gz FBAPNTBHBHDNDO-CHWSQXEVSA-N 2 2 288.395 1.221 10 30 CDEELP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700441526 1176931306 /nfs/dbraw/zinc/93/13/06/1176931306.db2.gz FBAPNTBHBHDNDO-CHWSQXEVSA-N 2 2 288.395 1.221 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001700845644 1177164179 /nfs/dbraw/zinc/16/41/79/1177164179.db2.gz ALMJGPLPEBMDOL-TZMCWYRMSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700928885 1177197882 /nfs/dbraw/zinc/19/78/82/1177197882.db2.gz DFSDWUGKAKGSGK-OLZOCXBDSA-N 2 2 276.384 1.321 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001700987743 1177226942 /nfs/dbraw/zinc/22/69/42/1177226942.db2.gz LHFDLWZBPPVWJI-CQSZACIVSA-N 2 2 290.411 1.486 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001700987743 1177226948 /nfs/dbraw/zinc/22/69/48/1177226948.db2.gz LHFDLWZBPPVWJI-CQSZACIVSA-N 2 2 290.411 1.486 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001701023321 1177243595 /nfs/dbraw/zinc/24/35/95/1177243595.db2.gz AACOHIAYUGAANP-DNOWBOINSA-N 2 2 290.411 1.886 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001707433665 1178040029 /nfs/dbraw/zinc/04/00/29/1178040029.db2.gz BXDINCJJIDJURH-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001713197697 1178426945 /nfs/dbraw/zinc/42/69/45/1178426945.db2.gz VBMKEDLIXRUKGW-OKILXGFUSA-N 2 2 290.411 1.556 10 30 CDEELP C=CCCC[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001713655187 1178697753 /nfs/dbraw/zinc/69/77/53/1178697753.db2.gz UPQYUWXLVZZTJL-UHFFFAOYSA-N 2 2 278.400 1.702 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000237702681 1178756760 /nfs/dbraw/zinc/75/67/60/1178756760.db2.gz HSKZSLOCZICAOB-UHFFFAOYSA-N 2 2 262.401 1.777 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714278199 1179061164 /nfs/dbraw/zinc/06/11/64/1179061164.db2.gz INUGISOKUVDQEZ-ZIAGYGMSSA-N 2 2 278.400 1.895 10 30 CDEELP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001714313553 1179080107 /nfs/dbraw/zinc/08/01/07/1179080107.db2.gz LJVNXLQJPVTWSR-HDJSIYSDSA-N 2 2 288.395 1.003 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001714491168 1179169372 /nfs/dbraw/zinc/16/93/72/1179169372.db2.gz WJGDQBLCKBYRHS-CHWSQXEVSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001714491168 1179169374 /nfs/dbraw/zinc/16/93/74/1179169374.db2.gz WJGDQBLCKBYRHS-CHWSQXEVSA-N 2 2 278.400 1.649 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001715096373 1179549939 /nfs/dbraw/zinc/54/99/39/1179549939.db2.gz FKTQVFMIKKHQKM-OCCSQVGLSA-N 2 2 288.395 1.111 10 30 CDEELP C=C(C)C[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001715099849 1179550906 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ZINC001734341998 1183739386 /nfs/dbraw/zinc/73/93/86/1183739386.db2.gz BDSNDZORNXJBSC-BFHYXJOUSA-N 2 2 290.411 1.536 10 30 CDEELP Cc1nn(-c2cc[nH+]cc2)cc1C=NN1CC[NH+](C)CC1 ZINC000783774408 813061506 /nfs/dbraw/zinc/06/15/06/813061506.db2.gz VRDLFSYLIIRYBZ-UHFFFAOYSA-N 2 2 284.367 1.157 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@@H+]1C ZINC000929783672 817859713 /nfs/dbraw/zinc/85/97/13/817859713.db2.gz XXUIDSOIPJSCPC-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@H+]1C ZINC000929783672 817859714 /nfs/dbraw/zinc/85/97/14/817859714.db2.gz XXUIDSOIPJSCPC-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([N@H+](C)Cc2cncc(C#N)c2)CC[NH+]1C ZINC000929783672 817859715 /nfs/dbraw/zinc/85/97/15/817859715.db2.gz XXUIDSOIPJSCPC-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)CC[NH+]1C ZINC000929783672 817859717 /nfs/dbraw/zinc/85/97/17/817859717.db2.gz XXUIDSOIPJSCPC-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC001641775148 1167135253 /nfs/dbraw/zinc/13/52/53/1167135253.db2.gz QUJXQIUQSIFYRC-AWEZNQCLSA-N 2 2 252.402 1.567 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC001641775148 1167135258 /nfs/dbraw/zinc/13/52/58/1167135258.db2.gz QUJXQIUQSIFYRC-AWEZNQCLSA-N 2 2 252.402 1.567 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001567232937 1168050249 /nfs/dbraw/zinc/05/02/49/1168050249.db2.gz HPFXIIGVXXUPBY-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001567232937 1168050252 /nfs/dbraw/zinc/05/02/52/1168050252.db2.gz HPFXIIGVXXUPBY-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266608105 895535574 /nfs/dbraw/zinc/53/55/74/895535574.db2.gz VEJJHZRSOVGPCR-JOCQHMNTSA-N 2 2 276.384 1.166 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001266878304 896265676 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CDEELP C=CC[N@H+](C)CCN(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC001467727315 970093665 /nfs/dbraw/zinc/09/36/65/970093665.db2.gz DOXAKEOJDBNVMW-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001495691903 972597648 /nfs/dbraw/zinc/59/76/48/972597648.db2.gz RFVMHQYMHGBWIE-CYBMUJFWSA-N 2 2 292.427 1.845 10 30 CDEELP CC#CC[NH2+]CCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001497393158 973328214 /nfs/dbraw/zinc/32/82/14/973328214.db2.gz AGBALABLJHVFLR-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505768724 974987080 /nfs/dbraw/zinc/98/70/80/974987080.db2.gz PQPQIYKGXINBHX-STQMWFEESA-N 2 2 264.373 1.332 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001406375154 976157139 /nfs/dbraw/zinc/15/71/39/976157139.db2.gz ARRPHTRURIXBOT-NEPJUHHUSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001571327370 1170365807 /nfs/dbraw/zinc/36/58/07/1170365807.db2.gz 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C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000596654282 343372314 /nfs/dbraw/zinc/37/23/14/343372314.db2.gz ZYIVDSHCHZVYAX-UONOGXRCSA-N 2 2 265.401 1.817 10 30 CDEELP CCC1([NH+]2CCOCC2)CC[NH+](CCOCCC#N)CC1 ZINC000599664207 344124189 /nfs/dbraw/zinc/12/41/89/344124189.db2.gz PPLQHGWERIXZLL-UHFFFAOYSA-N 2 2 295.427 1.493 10 30 CDEELP CCC(C#N)(CC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000600092127 344176361 /nfs/dbraw/zinc/17/63/61/344176361.db2.gz OXGPZQDYEOLOJV-UHFFFAOYSA-N 2 2 282.432 1.316 10 30 CDEELP CCC(C#N)(CC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000600092127 344176363 /nfs/dbraw/zinc/17/63/63/344176363.db2.gz OXGPZQDYEOLOJV-UHFFFAOYSA-N 2 2 282.432 1.316 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602539927 344472421 /nfs/dbraw/zinc/47/24/21/344472421.db2.gz MXLOIABXFGCKRI-UHFFFAOYSA-N 2 2 291.395 1.850 10 30 CDEELP C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000172324984 362598895 /nfs/dbraw/zinc/59/88/95/362598895.db2.gz GRPFYTAJJYTCEN-CQSZACIVSA-N 2 2 267.417 1.437 10 30 CDEELP C=CCCC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000172324984 362598899 /nfs/dbraw/zinc/59/88/99/362598899.db2.gz GRPFYTAJJYTCEN-CQSZACIVSA-N 2 2 267.417 1.437 10 30 CDEELP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221155934 356550636 /nfs/dbraw/zinc/55/06/36/356550636.db2.gz AQRKVIHFWXRIEH-HNNXBMFYSA-N 2 2 258.365 1.882 10 30 CDEELP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221155934 356550640 /nfs/dbraw/zinc/55/06/40/356550640.db2.gz AQRKVIHFWXRIEH-HNNXBMFYSA-N 2 2 258.365 1.882 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000567401932 358672390 /nfs/dbraw/zinc/67/23/90/358672390.db2.gz BPMHCPGAJOBAGZ-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000567401932 358672396 /nfs/dbraw/zinc/67/23/96/358672396.db2.gz BPMHCPGAJOBAGZ-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401932 358672400 /nfs/dbraw/zinc/67/24/00/358672400.db2.gz BPMHCPGAJOBAGZ-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401932 358672404 /nfs/dbraw/zinc/67/24/04/358672404.db2.gz BPMHCPGAJOBAGZ-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600732329 358705532 /nfs/dbraw/zinc/70/55/32/358705532.db2.gz RRVQDLUKJLRQCF-AWEZNQCLSA-N 2 2 259.353 1.577 10 30 CDEELP COc1cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)ccc1C#N ZINC000414955946 374222228 /nfs/dbraw/zinc/22/22/28/374222228.db2.gz PBRTUVWMUHPBRS-SMDDNHRTSA-N 2 2 259.353 1.797 10 30 CDEELP N#Cc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335804230 151034187 /nfs/dbraw/zinc/03/41/87/151034187.db2.gz MPHNPGOKXVIRKP-CYBMUJFWSA-N 2 2 252.321 1.928 10 30 CDEELP N#Cc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335804230 151034190 /nfs/dbraw/zinc/03/41/90/151034190.db2.gz MPHNPGOKXVIRKP-CYBMUJFWSA-N 2 2 252.321 1.928 10 30 CDEELP C=CCNc1[nH+]cnc(NCC[NH+]2CCCCC2)c1N ZINC000040708913 174379956 /nfs/dbraw/zinc/37/99/56/174379956.db2.gz JDORGMXTZSQPSM-UHFFFAOYSA-N 2 2 276.388 1.555 10 30 CDEELP COCCC[N@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)CCOC ZINC000045317034 175358262 /nfs/dbraw/zinc/35/82/62/175358262.db2.gz MIGGPDMMSCRGIC-MRXNPFEDSA-N 2 2 297.443 1.786 10 30 CDEELP COCCC[N@@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)CCOC ZINC000045317034 175358264 /nfs/dbraw/zinc/35/82/64/175358264.db2.gz MIGGPDMMSCRGIC-MRXNPFEDSA-N 2 2 297.443 1.786 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045321003 175358864 /nfs/dbraw/zinc/35/88/64/175358864.db2.gz AMINXHGPBSZNQJ-INIZCTEOSA-N 2 2 294.443 1.634 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)COC ZINC000045318840 175359280 /nfs/dbraw/zinc/35/92/80/175359280.db2.gz QPDGDMPUJWKNPO-KBPBESRZSA-N 2 2 271.405 1.252 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)COC ZINC000045318840 175359282 /nfs/dbraw/zinc/35/92/82/175359282.db2.gz QPDGDMPUJWKNPO-KBPBESRZSA-N 2 2 271.405 1.252 10 30 CDEELP COCC[N@H+](CCC#N)Cc1ccc(C#CC[NH3+])s1 ZINC000071228769 176091349 /nfs/dbraw/zinc/09/13/49/176091349.db2.gz LQNGQLUTZRUJQH-UHFFFAOYSA-N 2 2 277.393 1.420 10 30 CDEELP COCC[N@@H+](CCC#N)Cc1ccc(C#CC[NH3+])s1 ZINC000071228769 176091351 /nfs/dbraw/zinc/09/13/51/176091351.db2.gz LQNGQLUTZRUJQH-UHFFFAOYSA-N 2 2 277.393 1.420 10 30 CDEELP C=C(C)C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001666253207 1173122294 /nfs/dbraw/zinc/12/22/94/1173122294.db2.gz VKCIYMDBKDCOHT-UHFFFAOYSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001666574124 1173154918 /nfs/dbraw/zinc/15/49/18/1173154918.db2.gz TZRLVWUUNBXVGK-ZIAGYGMSSA-N 2 2 290.411 1.364 10 30 CDEELP [NH2+]=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@H]1CCCO1 ZINC000262278017 330003645 /nfs/dbraw/zinc/00/36/45/330003645.db2.gz VCVJWTRSJIIVHN-OAHLLOKOSA-N 2 2 299.378 1.456 10 30 CDEELP C=C(C)C[NH2+]CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268800589 1160017937 /nfs/dbraw/zinc/01/79/37/1160017937.db2.gz PITRDTKJQLUCLM-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001732595846 1160115048 /nfs/dbraw/zinc/11/50/48/1160115048.db2.gz VHVYDHFOQLTVPJ-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001732595846 1160115050 /nfs/dbraw/zinc/11/50/50/1160115050.db2.gz VHVYDHFOQLTVPJ-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001732595846 1160115052 /nfs/dbraw/zinc/11/50/52/1160115052.db2.gz VHVYDHFOQLTVPJ-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001732595846 1160115055 /nfs/dbraw/zinc/11/50/55/1160115055.db2.gz VHVYDHFOQLTVPJ-ZDUSSCGKSA-N 2 2 278.400 1.555 10 30 CDEELP C=C(C)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000681407864 482841405 /nfs/dbraw/zinc/84/14/05/482841405.db2.gz WGRMMMYWKVGGIF-CQSZACIVSA-N 2 2 265.401 1.367 10 30 CDEELP C=C(C)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000681407864 482841412 /nfs/dbraw/zinc/84/14/12/482841412.db2.gz WGRMMMYWKVGGIF-CQSZACIVSA-N 2 2 265.401 1.367 10 30 CDEELP CCC[NH2+][C@](C#N)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000069083866 520099562 /nfs/dbraw/zinc/09/95/62/520099562.db2.gz LFSCQWSMYMADMO-OAHLLOKOSA-N 2 2 266.433 1.542 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001713479262 1178593827 /nfs/dbraw/zinc/59/38/27/1178593827.db2.gz QVLBYPDVHUCCCC-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001713479262 1178593832 /nfs/dbraw/zinc/59/38/32/1178593832.db2.gz QVLBYPDVHUCCCC-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001691686672 1161561268 /nfs/dbraw/zinc/56/12/68/1161561268.db2.gz MPNWDKHUHKVENP-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccs2)CC1 ZINC000754572667 576902761 /nfs/dbraw/zinc/90/27/61/576902761.db2.gz YDGABPDKFSMVNV-CYBMUJFWSA-N 2 2 291.420 1.176 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941253004 613783355 /nfs/dbraw/zinc/78/33/55/613783355.db2.gz QJFFOMIHLKWLSH-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941253004 613783357 /nfs/dbraw/zinc/78/33/57/613783357.db2.gz QJFFOMIHLKWLSH-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000901189811 623935912 /nfs/dbraw/zinc/93/59/12/623935912.db2.gz IHMGGZLMWFCSMA-CQSZACIVSA-N 2 2 288.395 1.284 10 30 CDEELP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(C#N)ccn1 ZINC000902962779 625704326 /nfs/dbraw/zinc/70/43/26/625704326.db2.gz LHFDYGQCCILWIQ-YPMHNXCESA-N 2 2 267.336 1.815 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691100195 1158908592 /nfs/dbraw/zinc/90/85/92/1158908592.db2.gz OZRSNQNPYNKRME-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691100195 1158908594 /nfs/dbraw/zinc/90/85/94/1158908594.db2.gz OZRSNQNPYNKRME-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C#CCC[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001691403742 1159055690 /nfs/dbraw/zinc/05/56/90/1159055690.db2.gz WBTAEZDUTZRUTQ-UHFFFAOYSA-N 2 2 273.380 1.692 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001691172552 1158944095 /nfs/dbraw/zinc/94/40/95/1158944095.db2.gz IRDSRRZCJBJBTG-MGPQQGTHSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691172552 1158944098 /nfs/dbraw/zinc/94/40/98/1158944098.db2.gz IRDSRRZCJBJBTG-MGPQQGTHSA-N 2 2 290.411 1.649 10 30 CDEELP C=C[C@@](C)(O)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001629327817 1166129942 /nfs/dbraw/zinc/12/99/42/1166129942.db2.gz SFEWKCZXMRRLDQ-OAHLLOKOSA-N 2 2 286.335 1.841 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001568453992 1169297057 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C=CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001280494899 942453812 /nfs/dbraw/zinc/45/38/12/942453812.db2.gz HDXJDDNRODUMBM-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001282307003 942687470 /nfs/dbraw/zinc/68/74/70/942687470.db2.gz RCZSZDZNFBLGGI-UHFFFAOYSA-N 2 2 290.411 1.440 10 30 CDEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001282307003 942687476 /nfs/dbraw/zinc/68/74/76/942687476.db2.gz RCZSZDZNFBLGGI-UHFFFAOYSA-N 2 2 290.411 1.440 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001263839079 943997101 /nfs/dbraw/zinc/99/71/01/943997101.db2.gz NMZNWJXQKJGUJY-BETUJISGSA-N 2 2 276.384 1.023 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001277945803 944159058 /nfs/dbraw/zinc/15/90/58/944159058.db2.gz IPFZROIKWSPLIA-STQMWFEESA-N 2 2 278.400 1.743 10 30 CDEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001278693869 951740086 /nfs/dbraw/zinc/74/00/86/951740086.db2.gz RRVZKMHOSSQJHM-OAHLLOKOSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001278693869 951740092 /nfs/dbraw/zinc/74/00/92/951740092.db2.gz RRVZKMHOSSQJHM-OAHLLOKOSA-N 2 2 276.384 1.287 10 30 CDEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccn3)CC[C@@H]21 ZINC001363193749 971959004 /nfs/dbraw/zinc/95/90/04/971959004.db2.gz BCNOZPUUGFSYJR-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccn3)CC[C@@H]21 ZINC001363193749 971959012 /nfs/dbraw/zinc/95/90/12/971959012.db2.gz BCNOZPUUGFSYJR-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C#N)ccn3)CC[C@@H]21 ZINC001363193749 971959017 /nfs/dbraw/zinc/95/90/17/971959017.db2.gz BCNOZPUUGFSYJR-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C#N)ccn3)CC[C@@H]21 ZINC001363193749 971959023 /nfs/dbraw/zinc/95/90/23/971959023.db2.gz BCNOZPUUGFSYJR-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001569216896 1169724262 /nfs/dbraw/zinc/72/42/62/1169724262.db2.gz XDJPOQGZCBOYAL-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001316836731 957059461 /nfs/dbraw/zinc/05/94/61/957059461.db2.gz BVMFPVDZPLBJGS-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001316836731 957059480 /nfs/dbraw/zinc/05/94/80/957059480.db2.gz BVMFPVDZPLBJGS-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317139177 957299029 /nfs/dbraw/zinc/29/90/29/957299029.db2.gz XNVBZDNBMBSKTF-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317139177 957299036 /nfs/dbraw/zinc/29/90/36/957299036.db2.gz XNVBZDNBMBSKTF-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317195201 957335191 /nfs/dbraw/zinc/33/51/91/957335191.db2.gz NOJJZJABVRVUEJ-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001317289226 957406670 /nfs/dbraw/zinc/40/66/70/957406670.db2.gz NHRQBDKKTJSLIO-CHWSQXEVSA-N 2 2 264.373 1.332 10 30 CDEELP C=C(C)C[NH+]1CCC(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001319038526 958346103 /nfs/dbraw/zinc/34/61/03/958346103.db2.gz QNBLUQLBIIAGIJ-UHFFFAOYSA-N 2 2 290.411 1.747 10 30 CDEELP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320453560 959179658 /nfs/dbraw/zinc/17/96/58/959179658.db2.gz HQBNLEZYMKIDNP-YNEHKIRRSA-N 2 2 274.368 1.021 10 30 CDEELP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320453560 959179663 /nfs/dbraw/zinc/17/96/63/959179663.db2.gz HQBNLEZYMKIDNP-YNEHKIRRSA-N 2 2 274.368 1.021 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001420336332 962754497 /nfs/dbraw/zinc/75/44/97/962754497.db2.gz ZXGHGGYVFVMWQA-GFCCVEGCSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001420336332 962754503 /nfs/dbraw/zinc/75/45/03/962754503.db2.gz ZXGHGGYVFVMWQA-GFCCVEGCSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420336332 962754515 /nfs/dbraw/zinc/75/45/15/962754515.db2.gz ZXGHGGYVFVMWQA-GFCCVEGCSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420336332 962754527 /nfs/dbraw/zinc/75/45/27/962754527.db2.gz ZXGHGGYVFVMWQA-GFCCVEGCSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001420347084 962771955 /nfs/dbraw/zinc/77/19/55/962771955.db2.gz YPNPTGPBBUXQOU-IJLUTSLNSA-N 2 2 296.802 1.370 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001569406822 1169863270 /nfs/dbraw/zinc/86/32/70/1169863270.db2.gz WDOGURRGNNWDOA-ZDUSSCGKSA-N 2 2 288.395 1.260 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001448055161 966979532 /nfs/dbraw/zinc/97/95/32/966979532.db2.gz PDGTUOYKOFZDKS-NSHDSACASA-N 2 2 284.791 1.381 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001448055161 966979537 /nfs/dbraw/zinc/97/95/37/966979537.db2.gz PDGTUOYKOFZDKS-NSHDSACASA-N 2 2 284.791 1.381 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001569521179 1169908973 /nfs/dbraw/zinc/90/89/73/1169908973.db2.gz GAZOQDYXNLUJOI-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001496905967 973140049 /nfs/dbraw/zinc/14/00/49/973140049.db2.gz AZEYDNNZLOCTNT-CHWSQXEVSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001506016461 975085798 /nfs/dbraw/zinc/08/57/98/975085798.db2.gz BTIPZXWFZPOHQE-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001506016461 975085806 /nfs/dbraw/zinc/08/58/06/975085806.db2.gz BTIPZXWFZPOHQE-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001506016461 975085809 /nfs/dbraw/zinc/08/58/09/975085809.db2.gz BTIPZXWFZPOHQE-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001506016461 975085813 /nfs/dbraw/zinc/08/58/13/975085813.db2.gz BTIPZXWFZPOHQE-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001507337020 975423395 /nfs/dbraw/zinc/42/33/95/975423395.db2.gz BVWBUHZMQWVZHS-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407254732 976616852 /nfs/dbraw/zinc/61/68/52/976616852.db2.gz HEEMRGZYFZBBOL-CQSZACIVSA-N 2 2 296.802 1.464 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001569811885 1170003448 /nfs/dbraw/zinc/00/34/48/1170003448.db2.gz VAJHVDTYCPHXQV-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001569811885 1170003454 /nfs/dbraw/zinc/00/34/54/1170003454.db2.gz VAJHVDTYCPHXQV-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C[C@@H]1CCC[N@H+](Cc2ccncc2C#N)[C@H]1CC[NH3+] ZINC000593735019 342830817 /nfs/dbraw/zinc/83/08/17/342830817.db2.gz UPQCYDLMDDYNIR-DOMZBBRYSA-N 2 2 258.369 1.903 10 30 CDEELP C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)[C@H]1CC[NH3+] ZINC000593735019 342830818 /nfs/dbraw/zinc/83/08/18/342830818.db2.gz UPQCYDLMDDYNIR-DOMZBBRYSA-N 2 2 258.369 1.903 10 30 CDEELP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000617574348 345862019 /nfs/dbraw/zinc/86/20/19/345862019.db2.gz BFIJEAYYRAGEQC-HNNXBMFYSA-N 2 2 258.369 1.869 10 30 CDEELP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000617574348 345862021 /nfs/dbraw/zinc/86/20/21/345862021.db2.gz BFIJEAYYRAGEQC-HNNXBMFYSA-N 2 2 258.369 1.869 10 30 CDEELP C=C(C)C[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764722 345960878 /nfs/dbraw/zinc/96/08/78/345960878.db2.gz DEJYOISKTYXMRI-AWEZNQCLSA-N 2 2 269.433 1.588 10 30 CDEELP C=C(C)C[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764722 345960879 /nfs/dbraw/zinc/96/08/79/345960879.db2.gz DEJYOISKTYXMRI-AWEZNQCLSA-N 2 2 269.433 1.588 10 30 CDEELP C=CCN1CC[C@H]([N@@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810493 365899177 /nfs/dbraw/zinc/89/91/77/365899177.db2.gz XNOWJLCIYGZCBM-MQYQWHSLSA-N 2 2 265.401 1.221 10 30 CDEELP C=CCN1CC[C@H]([N@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])C1=O ZINC000641810493 365899179 /nfs/dbraw/zinc/89/91/79/365899179.db2.gz XNOWJLCIYGZCBM-MQYQWHSLSA-N 2 2 265.401 1.221 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278663 358424577 /nfs/dbraw/zinc/42/45/77/358424577.db2.gz DYYWDYAKVXAYEH-INIZCTEOSA-N 2 2 257.381 1.859 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278663 358424580 /nfs/dbraw/zinc/42/45/80/358424580.db2.gz DYYWDYAKVXAYEH-INIZCTEOSA-N 2 2 257.381 1.859 10 30 CDEELP CC#CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278663 358424584 /nfs/dbraw/zinc/42/45/84/358424584.db2.gz DYYWDYAKVXAYEH-INIZCTEOSA-N 2 2 257.381 1.859 10 30 CDEELP CC#CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278663 358424588 /nfs/dbraw/zinc/42/45/88/358424588.db2.gz DYYWDYAKVXAYEH-INIZCTEOSA-N 2 2 257.381 1.859 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000495093261 366516654 /nfs/dbraw/zinc/51/66/54/366516654.db2.gz OFDIHRFCGKRSEP-ZDUSSCGKSA-N 2 2 265.401 1.284 10 30 CDEELP COc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ccc1C#N ZINC000571516559 359581854 /nfs/dbraw/zinc/58/18/54/359581854.db2.gz XRRROGGBKVJFHQ-HNNXBMFYSA-N 2 2 289.379 1.112 10 30 CDEELP COc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ccc1C#N ZINC000571516559 359581858 /nfs/dbraw/zinc/58/18/58/359581858.db2.gz XRRROGGBKVJFHQ-HNNXBMFYSA-N 2 2 289.379 1.112 10 30 CDEELP C=CCCC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051701 374119623 /nfs/dbraw/zinc/11/96/23/374119623.db2.gz WPTUOGVVNBEHEE-AWEZNQCLSA-N 2 2 267.417 1.437 10 30 CDEELP C=CCCC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051701 374119629 /nfs/dbraw/zinc/11/96/29/374119629.db2.gz WPTUOGVVNBEHEE-AWEZNQCLSA-N 2 2 267.417 1.437 10 30 CDEELP CC(C)[NH+](CC#CC[N@@H+](C(C)C)C1COC1)C1COC1 ZINC000451121922 391615937 /nfs/dbraw/zinc/61/59/37/391615937.db2.gz VDXNQOZHOMXEHE-UHFFFAOYSA-N 2 2 280.412 1.208 10 30 CDEELP CC(C)[NH+](CC#CC[N@H+](C(C)C)C1COC1)C1COC1 ZINC000451121922 391615942 /nfs/dbraw/zinc/61/59/42/391615942.db2.gz VDXNQOZHOMXEHE-UHFFFAOYSA-N 2 2 280.412 1.208 10 30 CDEELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093770219 147064785 /nfs/dbraw/zinc/06/47/85/147064785.db2.gz KYASNKRWJHIZEM-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093770219 147064788 /nfs/dbraw/zinc/06/47/88/147064788.db2.gz KYASNKRWJHIZEM-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093770219 147064789 /nfs/dbraw/zinc/06/47/89/147064789.db2.gz KYASNKRWJHIZEM-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093770219 147064792 /nfs/dbraw/zinc/06/47/92/147064792.db2.gz KYASNKRWJHIZEM-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP CC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093770219 147064796 /nfs/dbraw/zinc/06/47/96/147064796.db2.gz KYASNKRWJHIZEM-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP CC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093770219 147064798 /nfs/dbraw/zinc/06/47/98/147064798.db2.gz KYASNKRWJHIZEM-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683958 175091772 /nfs/dbraw/zinc/09/17/72/175091772.db2.gz AAPORJSXLDAWJZ-UHFFFAOYSA-N 2 2 293.436 1.359 10 30 CDEELP CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683958 175091773 /nfs/dbraw/zinc/09/17/73/175091773.db2.gz AAPORJSXLDAWJZ-UHFFFAOYSA-N 2 2 293.436 1.359 10 30 CDEELP CCCN[C@H](C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315730 175358508 /nfs/dbraw/zinc/35/85/08/175358508.db2.gz UEXWZQBXAXRLOG-CQSZACIVSA-N 2 2 252.406 1.152 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318429 175359459 /nfs/dbraw/zinc/35/94/59/175359459.db2.gz NQAUQWNKEIMGOS-HNNXBMFYSA-N 2 2 266.433 1.684 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001667017561 1173222012 /nfs/dbraw/zinc/22/20/12/1173222012.db2.gz AGBMEPKWWQDMFT-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CC[NH2+]C/C=C/CNC(=O)Cc1[nH]c[nH+]c1C ZINC001669162781 1173513133 /nfs/dbraw/zinc/51/31/33/1173513133.db2.gz RBKZUNNAJQRYLE-SNAWJCMRSA-N 2 2 276.384 1.489 10 30 CDEELP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1csc(C)n1 ZINC000261683007 329977607 /nfs/dbraw/zinc/97/76/07/329977607.db2.gz HUBJJXNQGSJNFT-UHFFFAOYSA-N 2 2 281.429 1.164 10 30 CDEELP [NH2+]=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1CCC1 ZINC000263195501 330048487 /nfs/dbraw/zinc/04/84/87/330048487.db2.gz WJZGDPULJYFFDN-UHFFFAOYSA-N 2 2 292.814 1.719 10 30 CDEELP [NH2+]=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1CCC1 ZINC000263195501 330048489 /nfs/dbraw/zinc/04/84/89/330048489.db2.gz WJZGDPULJYFFDN-UHFFFAOYSA-N 2 2 292.814 1.719 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)nn1 ZINC000424298683 330336662 /nfs/dbraw/zinc/33/66/62/330336662.db2.gz SZDQABIOMBBMRB-KFWWJZLASA-N 2 2 275.400 1.427 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)nn1 ZINC000424298683 330336663 /nfs/dbraw/zinc/33/66/63/330336663.db2.gz SZDQABIOMBBMRB-KFWWJZLASA-N 2 2 275.400 1.427 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001691685151 1161560996 /nfs/dbraw/zinc/56/09/96/1161560996.db2.gz YPMDMPSHEHYCMJ-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001691685151 1161561004 /nfs/dbraw/zinc/56/10/04/1161561004.db2.gz YPMDMPSHEHYCMJ-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001691685151 1161561010 /nfs/dbraw/zinc/56/10/10/1161561010.db2.gz YPMDMPSHEHYCMJ-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001691685151 1161561017 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C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001507324891 975415977 /nfs/dbraw/zinc/41/59/77/975415977.db2.gz CYZXMYQAKOEPRE-AAEUAGOBSA-N 2 2 262.357 1.107 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001507422482 975464692 /nfs/dbraw/zinc/46/46/92/975464692.db2.gz TXCBBSLYHZYFGN-KGLIPLIRSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001405117913 975633632 /nfs/dbraw/zinc/63/36/32/975633632.db2.gz LITHBOFESNQLFI-CHWSQXEVSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001405117913 975633640 /nfs/dbraw/zinc/63/36/40/975633640.db2.gz LITHBOFESNQLFI-CHWSQXEVSA-N 2 2 287.835 1.612 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001391042354 976660525 /nfs/dbraw/zinc/66/05/25/976660525.db2.gz FQHZNGZTQGIMMX-ZDUSSCGKSA-N 2 2 296.802 1.525 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001391042354 976660534 /nfs/dbraw/zinc/66/05/34/976660534.db2.gz FQHZNGZTQGIMMX-ZDUSSCGKSA-N 2 2 296.802 1.525 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001676958540 1174300057 /nfs/dbraw/zinc/30/00/57/1174300057.db2.gz KXOZRJMGXWCSGH-NEPJUHHUSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC001655529559 1171701562 /nfs/dbraw/zinc/70/15/62/1171701562.db2.gz XXDYOKAYERGPFD-UHFFFAOYSA-N 2 2 263.389 1.428 10 30 CDEELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccnc(C#N)c1)C2 ZINC000595504051 343079543 /nfs/dbraw/zinc/07/95/43/343079543.db2.gz DJEYCQRNGKMANI-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccnc(C#N)c1)C2 ZINC000595504051 343079545 /nfs/dbraw/zinc/07/95/45/343079545.db2.gz DJEYCQRNGKMANI-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000595504051 343079547 /nfs/dbraw/zinc/07/95/47/343079547.db2.gz DJEYCQRNGKMANI-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000595504051 343079549 /nfs/dbraw/zinc/07/95/49/343079549.db2.gz DJEYCQRNGKMANI-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598705424 343877329 /nfs/dbraw/zinc/87/73/29/343877329.db2.gz JIRXSAOEHAMTPM-OLZOCXBDSA-N 2 2 267.417 1.750 10 30 CDEELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598705424 343877330 /nfs/dbraw/zinc/87/73/30/343877330.db2.gz JIRXSAOEHAMTPM-OLZOCXBDSA-N 2 2 267.417 1.750 10 30 CDEELP CO[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)[C@@](C)(C[NH3+])C1 ZINC000600885093 349889072 /nfs/dbraw/zinc/88/90/72/349889072.db2.gz KVJXRBQPJMLPNQ-HZPDHXFCSA-N 2 2 273.380 1.805 10 30 CDEELP CO[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)[C@@](C)(C[NH3+])C1 ZINC000600885093 349889074 /nfs/dbraw/zinc/88/90/74/349889074.db2.gz KVJXRBQPJMLPNQ-HZPDHXFCSA-N 2 2 273.380 1.805 10 30 CDEELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000389247646 357324022 /nfs/dbraw/zinc/32/40/22/357324022.db2.gz AZERDPVAGQFRKQ-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000389247646 357324027 /nfs/dbraw/zinc/32/40/27/357324027.db2.gz AZERDPVAGQFRKQ-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301771958 201187211 /nfs/dbraw/zinc/18/72/11/201187211.db2.gz JOZIIOXARVGFKT-CYBMUJFWSA-N 2 2 258.369 1.958 10 30 CDEELP CC[NH+]1CCN(CCNc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301811015 201211713 /nfs/dbraw/zinc/21/17/13/201211713.db2.gz ZHDSRERKIURGTD-UHFFFAOYSA-N 2 2 287.411 1.620 10 30 CDEELP C[C@H](C[NH2+]Cc1nc(C#N)cs1)Cn1cc[nH+]c1 ZINC000352836650 374367108 /nfs/dbraw/zinc/36/71/08/374367108.db2.gz VXRAQUGGZHFGNA-SNVBAGLBSA-N 2 2 261.354 1.637 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nn1 ZINC000655937599 412953308 /nfs/dbraw/zinc/95/33/08/412953308.db2.gz BXEJUPHGAMWTRA-OLZOCXBDSA-N 2 2 263.389 1.413 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nn1 ZINC000655937599 412953313 /nfs/dbraw/zinc/95/33/13/412953313.db2.gz BXEJUPHGAMWTRA-OLZOCXBDSA-N 2 2 263.389 1.413 10 30 CDEELP C[N@H+](CCCCC#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863596 390520670 /nfs/dbraw/zinc/52/06/70/390520670.db2.gz JXEPTOLXXIOBGV-UHFFFAOYSA-N 2 2 289.427 1.973 10 30 CDEELP C[N@@H+](CCCCC#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863596 390520671 /nfs/dbraw/zinc/52/06/71/390520671.db2.gz JXEPTOLXXIOBGV-UHFFFAOYSA-N 2 2 289.427 1.973 10 30 CDEELP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000305804655 392775403 /nfs/dbraw/zinc/77/54/03/392775403.db2.gz FWUGMXFGBRNYAQ-ZYHUDNBSSA-N 2 2 265.332 1.270 10 30 CDEELP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CCC[NH+](C)C1 ZINC000092253570 147005061 /nfs/dbraw/zinc/00/50/61/147005061.db2.gz ONTVGZRTEMDALE-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CCC[NH+](C)C1 ZINC000092253570 147005065 /nfs/dbraw/zinc/00/50/65/147005065.db2.gz ONTVGZRTEMDALE-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CCC[N@H+](C)C1 ZINC000092253570 147005069 /nfs/dbraw/zinc/00/50/69/147005069.db2.gz ONTVGZRTEMDALE-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253570 147005072 /nfs/dbraw/zinc/00/50/72/147005072.db2.gz ONTVGZRTEMDALE-HNNXBMFYSA-N 2 2 297.406 1.980 10 30 CDEELP C=CC[C@]1(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CCC[NH2+]1 ZINC000662688783 413315688 /nfs/dbraw/zinc/31/56/88/413315688.db2.gz OVUSFZKKSFPUJR-QGZVFWFLSA-N 2 2 298.390 1.957 10 30 CDEELP C=CC[C@]1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCC[NH2+]1 ZINC000662738421 413409839 /nfs/dbraw/zinc/40/98/39/413409839.db2.gz WEGXEOZFEPASTD-MRXNPFEDSA-N 2 2 288.395 1.814 10 30 CDEELP C=CC[C@]1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCC[NH2+]1 ZINC000662738421 413409848 /nfs/dbraw/zinc/40/98/48/413409848.db2.gz WEGXEOZFEPASTD-MRXNPFEDSA-N 2 2 288.395 1.814 10 30 CDEELP N#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750241 174395152 /nfs/dbraw/zinc/39/51/52/174395152.db2.gz PVCJOQVHNODFKL-LQDVMPOASA-N 2 2 284.363 1.451 10 30 CDEELP N#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750241 174395153 /nfs/dbraw/zinc/39/51/53/174395153.db2.gz PVCJOQVHNODFKL-LQDVMPOASA-N 2 2 284.363 1.451 10 30 CDEELP C[C@H]1CC[N@H+](CCOCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000293915388 263152218 /nfs/dbraw/zinc/15/22/18/263152218.db2.gz XHSQGRHVDDYNLK-KBPBESRZSA-N 2 2 262.357 1.696 10 30 CDEELP C[C@H]1CC[N@@H+](CCOCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000293915388 263152219 /nfs/dbraw/zinc/15/22/19/263152219.db2.gz XHSQGRHVDDYNLK-KBPBESRZSA-N 2 2 262.357 1.696 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670274950 1173669840 /nfs/dbraw/zinc/66/98/40/1173669840.db2.gz HRBJPLLLNYCGRI-NSHDSACASA-N 2 2 298.818 1.779 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670274950 1173669843 /nfs/dbraw/zinc/66/98/43/1173669843.db2.gz HRBJPLLLNYCGRI-NSHDSACASA-N 2 2 298.818 1.779 10 30 CDEELP C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378060519 329038406 /nfs/dbraw/zinc/03/84/06/329038406.db2.gz PIAOOXQTYSWODD-LLVKDONJSA-N 2 2 262.357 1.280 10 30 CDEELP C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378060519 329038408 /nfs/dbraw/zinc/03/84/08/329038408.db2.gz PIAOOXQTYSWODD-LLVKDONJSA-N 2 2 262.357 1.280 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267147617 1159138484 /nfs/dbraw/zinc/13/84/84/1159138484.db2.gz CGFIMARFLZFKBB-STQMWFEESA-N 2 2 276.384 1.096 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267147617 1159138488 /nfs/dbraw/zinc/13/84/88/1159138488.db2.gz CGFIMARFLZFKBB-STQMWFEESA-N 2 2 276.384 1.096 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483356395 1160912562 /nfs/dbraw/zinc/91/25/62/1160912562.db2.gz LADJRGJNCQQQLU-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483356395 1160912567 /nfs/dbraw/zinc/91/25/67/1160912567.db2.gz LADJRGJNCQQQLU-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061612547 518864527 /nfs/dbraw/zinc/86/45/27/518864527.db2.gz FQDQJAJLSBOLHJ-OAHLLOKOSA-N 2 2 273.380 1.059 10 30 CDEELP CC[NH+]1CCC(N(C)C[C@]([NH3+])(C#N)C2CC2)CC1 ZINC000069080102 521565117 /nfs/dbraw/zinc/56/51/17/521565117.db2.gz NHQLFEJSKHZLAT-CQSZACIVSA-N 2 2 250.390 1.034 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000049608436 523512893 /nfs/dbraw/zinc/51/28/93/523512893.db2.gz NBOVASGLNBLLHO-OKILXGFUSA-N 2 2 288.391 1.615 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000049608436 523512905 /nfs/dbraw/zinc/51/29/05/523512905.db2.gz NBOVASGLNBLLHO-OKILXGFUSA-N 2 2 288.391 1.615 10 30 CDEELP CC[C@H](C)[NH+]1CCN(CC[C@H](C#N)[NH2+]C(C)C)CC1 ZINC000062438986 523954532 /nfs/dbraw/zinc/95/45/32/523954532.db2.gz JGTRRUXRRBSQCQ-LSDHHAIUSA-N 2 2 266.433 1.683 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001689909734 1175301985 /nfs/dbraw/zinc/30/19/85/1175301985.db2.gz SHLVOKZEQAZCBI-HIFRSBDPSA-N 2 2 290.411 1.508 10 30 CDEELP C#CC[NH+]1CCC(Nc2cc(CC)[nH+]c(C)n2)CC1 ZINC000895808160 619855108 /nfs/dbraw/zinc/85/51/08/619855108.db2.gz BNRGARPZRMZZFN-UHFFFAOYSA-N 2 2 258.369 1.857 10 30 CDEELP Cc1cn2cc(NC(=O)NCC#CC[NH+](C)C)ccc2[nH+]1 ZINC000930137398 632825577 /nfs/dbraw/zinc/82/55/77/632825577.db2.gz KRSSFCHVWUBSIH-UHFFFAOYSA-N 2 2 285.351 1.329 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001631058787 1166246886 /nfs/dbraw/zinc/24/68/86/1166246886.db2.gz ZELXZTYVLFHZMF-CYBMUJFWSA-N 2 2 278.400 1.532 10 30 CDEELP C=CCC[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001566990716 1168489145 /nfs/dbraw/zinc/48/91/45/1168489145.db2.gz RXZZGVXIIZEKFN-UHFFFAOYSA-N 2 2 276.384 1.545 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001569321676 1169764151 /nfs/dbraw/zinc/76/41/51/1169764151.db2.gz TWBRWMXBJVHNTI-DZGCQCFKSA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001664592075 1172873626 /nfs/dbraw/zinc/87/36/26/1172873626.db2.gz BHDXDYKAISBELJ-OAHLLOKOSA-N 2 2 284.363 1.585 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001669596208 1173573824 /nfs/dbraw/zinc/57/38/24/1173573824.db2.gz YXJNMSUYVDRDNY-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690708207 1175552735 /nfs/dbraw/zinc/55/27/35/1175552735.db2.gz LUDHGUWGKUQWQP-CQSZACIVSA-N 2 2 296.374 1.328 10 30 CDEELP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001692404882 1175762630 /nfs/dbraw/zinc/76/26/30/1175762630.db2.gz LCMISARMNFECKQ-GJZGRUSLSA-N 2 2 288.395 1.294 10 30 CDEELP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001692404882 1175762634 /nfs/dbraw/zinc/76/26/34/1175762634.db2.gz LCMISARMNFECKQ-GJZGRUSLSA-N 2 2 288.395 1.294 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)Cc1c[nH+]ccc1OC)C(C)C ZINC001698968977 1176000237 /nfs/dbraw/zinc/00/02/37/1176000237.db2.gz UDHCAEAQBAWWOR-AWEZNQCLSA-N 2 2 291.395 1.549 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001698969537 1176001200 /nfs/dbraw/zinc/00/12/00/1176001200.db2.gz LJHAQZBLTKRENJ-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001699441808 1176403849 /nfs/dbraw/zinc/40/38/49/1176403849.db2.gz MRLXJJXTTKXHID-GFCCVEGCSA-N 2 2 286.379 1.879 10 30 CDEELP C=C(C)C[NH+]1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001699770729 1176615132 /nfs/dbraw/zinc/61/51/32/1176615132.db2.gz LVSVLQXUHJKAQE-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH+]1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001699770729 1176615138 /nfs/dbraw/zinc/61/51/38/1176615138.db2.gz LVSVLQXUHJKAQE-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP 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/nfs/dbraw/zinc/13/40/54/958134054.db2.gz VSBQXIDBMANKJW-UHFFFAOYSA-N 2 2 288.395 1.499 10 30 CDEELP C#CC[NH2+][C@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001494982360 972362467 /nfs/dbraw/zinc/36/24/67/972362467.db2.gz XXYKLYFFQXIETH-CQSZACIVSA-N 2 2 284.363 1.374 10 30 CDEELP N#CC1(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CC1 ZINC001414060668 969938070 /nfs/dbraw/zinc/93/80/70/969938070.db2.gz BDEQTHFEOKJDJP-UHFFFAOYSA-N 2 2 277.412 1.603 10 30 CDEELP C#CC[N@@H+](C)CCCNc1cc(CC)[nH+]c(CC)n1 ZINC001472795858 970700397 /nfs/dbraw/zinc/70/03/97/970700397.db2.gz SIKVWSBAPMPBNI-UHFFFAOYSA-N 2 2 260.385 1.968 10 30 CDEELP C#CC[N@H+](C)CCCNc1cc(CC)[nH+]c(CC)n1 ZINC001472795858 970700399 /nfs/dbraw/zinc/70/03/99/970700399.db2.gz SIKVWSBAPMPBNI-UHFFFAOYSA-N 2 2 260.385 1.968 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498249547 973779331 /nfs/dbraw/zinc/77/93/31/973779331.db2.gz ZGUSZGZFBDKKLV-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498249547 973779337 /nfs/dbraw/zinc/77/93/37/973779337.db2.gz ZGUSZGZFBDKKLV-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498249547 973779346 /nfs/dbraw/zinc/77/93/46/973779346.db2.gz ZGUSZGZFBDKKLV-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498249547 973779352 /nfs/dbraw/zinc/77/93/52/973779352.db2.gz ZGUSZGZFBDKKLV-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001505631920 974943597 /nfs/dbraw/zinc/94/35/97/974943597.db2.gz HTDIEQFSSUSADA-QWHCGFSZSA-N 2 2 291.395 1.692 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001507951608 975569250 /nfs/dbraw/zinc/56/92/50/975569250.db2.gz LNKMXMJXQGLUSH-ZDUSSCGKSA-N 2 2 276.384 1.096 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001507951608 975569261 /nfs/dbraw/zinc/56/92/61/975569261.db2.gz LNKMXMJXQGLUSH-ZDUSSCGKSA-N 2 2 276.384 1.096 10 30 CDEELP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001401663354 975769940 /nfs/dbraw/zinc/76/99/40/975769940.db2.gz ARKRBLIDJKUKAJ-CYBMUJFWSA-N 2 2 297.362 1.049 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001674753973 1174004211 /nfs/dbraw/zinc/00/42/11/1174004211.db2.gz HVDBJAOMVFQZII-VXGBXAGGSA-N 2 2 264.373 1.022 10 30 CDEELP C#CCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001676878971 1174285432 /nfs/dbraw/zinc/28/54/32/1174285432.db2.gz KDKPCCAUJBGZCL-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001676878971 1174285438 /nfs/dbraw/zinc/28/54/38/1174285438.db2.gz KDKPCCAUJBGZCL-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001677372614 1174354566 /nfs/dbraw/zinc/35/45/66/1174354566.db2.gz UZYYBYZBQOIWFV-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[NH+]1CC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001570856181 1170302735 /nfs/dbraw/zinc/30/27/35/1170302735.db2.gz QFBFKWDJHPZVEB-OLZOCXBDSA-N 2 2 276.384 1.457 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001571633110 1170502938 /nfs/dbraw/zinc/50/29/38/1170502938.db2.gz IJNIYFYIDWHNSE-ZDUSSCGKSA-N 2 2 276.384 1.096 10 30 CDEELP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035437 342868354 /nfs/dbraw/zinc/86/83/54/342868354.db2.gz MXGJADDPRYFWPQ-INIZCTEOSA-N 2 2 287.407 1.840 10 30 CDEELP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035437 342868356 /nfs/dbraw/zinc/86/83/56/342868356.db2.gz MXGJADDPRYFWPQ-INIZCTEOSA-N 2 2 287.407 1.840 10 30 CDEELP Cc1ccc2[nH+]c(CNC(=O)[C@@H]([NH3+])CCCCC#N)cn2c1 ZINC000594440560 342907055 /nfs/dbraw/zinc/90/70/55/342907055.db2.gz FISHAJOZAYTKJG-AWEZNQCLSA-N 2 2 299.378 1.670 10 30 CDEELP Cc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C#N ZINC000599334498 344021893 /nfs/dbraw/zinc/02/18/93/344021893.db2.gz GDMWANVUHKZISM-UHFFFAOYSA-N 2 2 295.390 1.922 10 30 CDEELP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864951 343176010 /nfs/dbraw/zinc/17/60/10/343176010.db2.gz XVVUTFALCZKBIW-GXTWGEPZSA-N 2 2 251.374 1.210 10 30 CDEELP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864951 343176011 /nfs/dbraw/zinc/17/60/11/343176011.db2.gz XVVUTFALCZKBIW-GXTWGEPZSA-N 2 2 251.374 1.210 10 30 CDEELP CCNC(=[NH2+])N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000076016560 347618709 /nfs/dbraw/zinc/61/87/09/347618709.db2.gz KFEJXAGDJWIDEP-UHFFFAOYSA-N 2 2 276.384 1.147 10 30 CDEELP Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000124030852 187119118 /nfs/dbraw/zinc/11/91/18/187119118.db2.gz OQSIYSBTVPHQHT-MEBBXXQBSA-N 2 2 258.369 1.956 10 30 CDEELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492890 363594728 /nfs/dbraw/zinc/59/47/28/363594728.db2.gz WLFFJNMSGKMFAH-QGZVFWFLSA-N 2 2 295.390 1.734 10 30 CDEELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492890 363594733 /nfs/dbraw/zinc/59/47/33/363594733.db2.gz WLFFJNMSGKMFAH-QGZVFWFLSA-N 2 2 295.390 1.734 10 30 CDEELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492890 363594737 /nfs/dbraw/zinc/59/47/37/363594737.db2.gz WLFFJNMSGKMFAH-QGZVFWFLSA-N 2 2 295.390 1.734 10 30 CDEELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492890 363594741 /nfs/dbraw/zinc/59/47/41/363594741.db2.gz WLFFJNMSGKMFAH-QGZVFWFLSA-N 2 2 295.390 1.734 10 30 CDEELP O=C(NCc1cn2ccccc2[nH+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329409602 361502906 /nfs/dbraw/zinc/50/29/06/361502906.db2.gz BGCPFDRJSNEIAL-AWEZNQCLSA-N 2 2 299.378 1.528 10 30 CDEELP O=C(NCc1cn2ccccc2[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329409602 361502908 /nfs/dbraw/zinc/50/29/08/361502908.db2.gz BGCPFDRJSNEIAL-AWEZNQCLSA-N 2 2 299.378 1.528 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001661693861 1172428625 /nfs/dbraw/zinc/42/86/25/1172428625.db2.gz BEUSQRRHKMZSNZ-OKILXGFUSA-N 2 2 276.384 1.476 10 30 CDEELP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)ccc1C#N ZINC000353233217 375171169 /nfs/dbraw/zinc/17/11/69/375171169.db2.gz WPCZILSESNLJNP-BXUZGUMPSA-N 2 2 259.353 1.607 10 30 CDEELP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000353233217 375171175 /nfs/dbraw/zinc/17/11/75/375171175.db2.gz WPCZILSESNLJNP-BXUZGUMPSA-N 2 2 259.353 1.607 10 30 CDEELP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)c(C#N)c(C)[nH+]1 ZINC000157432900 390816795 /nfs/dbraw/zinc/81/67/95/390816795.db2.gz BYQISSNBDBPKJA-CYBMUJFWSA-N 2 2 258.369 1.958 10 30 CDEELP Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)C2)c(C#N)c(C)[nH+]1 ZINC000157432900 390816799 /nfs/dbraw/zinc/81/67/99/390816799.db2.gz BYQISSNBDBPKJA-CYBMUJFWSA-N 2 2 258.369 1.958 10 30 CDEELP N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044558574 175203626 /nfs/dbraw/zinc/20/36/26/175203626.db2.gz HMMFBRUFURBZQH-LBPRGKRZSA-N 2 2 292.408 1.762 10 30 CDEELP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044558574 175203628 /nfs/dbraw/zinc/20/36/28/175203628.db2.gz HMMFBRUFURBZQH-LBPRGKRZSA-N 2 2 292.408 1.762 10 30 CDEELP CCCN[C@](C)(C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000045181006 175324848 /nfs/dbraw/zinc/32/48/48/175324848.db2.gz LVEDAJLAHOZDQQ-HNNXBMFYSA-N 2 2 266.433 1.684 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@H+](CCCOC)CCOC ZINC000045317054 175358252 /nfs/dbraw/zinc/35/82/52/175358252.db2.gz IEYKEPHAQJBJTP-HNNXBMFYSA-N 2 2 285.432 1.643 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@@H+](CCCOC)CCOC ZINC000045317054 175358256 /nfs/dbraw/zinc/35/82/56/175358256.db2.gz IEYKEPHAQJBJTP-HNNXBMFYSA-N 2 2 285.432 1.643 10 30 CDEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(CC#N)c2ccccc2)C1 ZINC000071145355 176041808 /nfs/dbraw/zinc/04/18/08/176041808.db2.gz JJFXQMDGRIMORB-CQSZACIVSA-N 2 2 286.379 1.084 10 30 CDEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(CC#N)c2ccccc2)C1 ZINC000071145355 176041810 /nfs/dbraw/zinc/04/18/10/176041810.db2.gz JJFXQMDGRIMORB-CQSZACIVSA-N 2 2 286.379 1.084 10 30 CDEELP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175726335 261244118 /nfs/dbraw/zinc/24/41/18/261244118.db2.gz UWZLALGTVJFIDN-HUUCEWRRSA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175726335 261244121 /nfs/dbraw/zinc/24/41/21/261244121.db2.gz UWZLALGTVJFIDN-HUUCEWRRSA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175726335 261244124 /nfs/dbraw/zinc/24/41/24/261244124.db2.gz UWZLALGTVJFIDN-HUUCEWRRSA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175726335 261244126 /nfs/dbraw/zinc/24/41/26/261244126.db2.gz UWZLALGTVJFIDN-HUUCEWRRSA-N 2 2 294.443 1.411 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001673917739 1173895970 /nfs/dbraw/zinc/89/59/70/1173895970.db2.gz QECNXSRTJBLYIQ-QWHCGFSZSA-N 2 2 290.411 1.700 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001725511195 1159248657 /nfs/dbraw/zinc/24/86/57/1159248657.db2.gz LDEXMNGNFCTTFG-KGLIPLIRSA-N 2 2 276.384 1.294 10 30 CDEELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000049164039 524317247 /nfs/dbraw/zinc/31/72/47/524317247.db2.gz NFOVDLBTJODSGX-CZUORRHYSA-N 2 2 273.380 1.666 10 30 CDEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001689021593 1175084575 /nfs/dbraw/zinc/08/45/75/1175084575.db2.gz AIXRDZUUDWOYPQ-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000927168440 622047115 /nfs/dbraw/zinc/04/71/15/622047115.db2.gz SJEBDAICZFZHDX-JKSUJKDBSA-N 2 2 299.422 1.972 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000927168440 622047118 /nfs/dbraw/zinc/04/71/18/622047118.db2.gz SJEBDAICZFZHDX-JKSUJKDBSA-N 2 2 299.422 1.972 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001691117147 1158918919 /nfs/dbraw/zinc/91/89/19/1158918919.db2.gz JVMOCNMIBLPXFR-MCIONIFRSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691117147 1158918923 /nfs/dbraw/zinc/91/89/23/1158918923.db2.gz JVMOCNMIBLPXFR-MCIONIFRSA-N 2 2 288.395 1.096 10 30 CDEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001266911973 1158982120 /nfs/dbraw/zinc/98/21/20/1158982120.db2.gz XNVAZXYGKSWRSU-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001618813619 1165643941 /nfs/dbraw/zinc/64/39/41/1165643941.db2.gz JXSRIAVNLSGRLZ-UHFFFAOYSA-N 2 2 292.427 1.893 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001631058788 1166247725 /nfs/dbraw/zinc/24/77/25/1166247725.db2.gz ZELXZTYVLFHZMF-ZDUSSCGKSA-N 2 2 278.400 1.532 10 30 CDEELP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001645274460 1167385753 /nfs/dbraw/zinc/38/57/53/1167385753.db2.gz QGDVDKSZHKNYSC-ZDUSSCGKSA-N 2 2 289.379 1.169 10 30 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1.825 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001323023561 960409847 /nfs/dbraw/zinc/40/98/47/960409847.db2.gz XABSKAUSOZDXJB-DZGCQCFKSA-N 2 2 288.395 1.116 10 30 CDEELP C=CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001495496983 972522811 /nfs/dbraw/zinc/52/28/11/972522811.db2.gz DHNNZZJVVARABI-UHFFFAOYSA-N 2 2 298.390 1.555 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001324179667 961217794 /nfs/dbraw/zinc/21/77/94/961217794.db2.gz CDHHKQYITOAYAA-AWEZNQCLSA-N 2 2 289.379 1.399 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325621 963724049 /nfs/dbraw/zinc/72/40/49/963724049.db2.gz LETGEIRAAJOJLD-TZMCWYRMSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325621 963724056 /nfs/dbraw/zinc/72/40/56/963724056.db2.gz LETGEIRAAJOJLD-TZMCWYRMSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001440924148 964264482 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C#CCC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001500465356 974438969 /nfs/dbraw/zinc/43/89/69/974438969.db2.gz AZVODJOYQCDJEK-UHFFFAOYSA-N 2 2 288.395 1.125 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001502129293 974702706 /nfs/dbraw/zinc/70/27/06/974702706.db2.gz CPYRUMBCCPHACG-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001502129293 974702708 /nfs/dbraw/zinc/70/27/08/974702708.db2.gz CPYRUMBCCPHACG-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001376763942 974760802 /nfs/dbraw/zinc/76/08/02/974760802.db2.gz RVJJQHQPUVUKEK-NEPJUHHUSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377904675 975170720 /nfs/dbraw/zinc/17/07/20/975170720.db2.gz MPEOHAVESJIAJD-MNOVXSKESA-N 2 2 270.764 1.118 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001506884633 975245544 /nfs/dbraw/zinc/24/55/44/975245544.db2.gz BTARIQFCHLIYFU-AULYBMBSSA-N 2 2 296.802 1.579 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001506884633 975245553 /nfs/dbraw/zinc/24/55/53/975245553.db2.gz BTARIQFCHLIYFU-AULYBMBSSA-N 2 2 296.802 1.579 10 30 CDEELP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001507131950 975348097 /nfs/dbraw/zinc/34/80/97/975348097.db2.gz LJAGWZQBJZXNID-STQMWFEESA-N 2 2 276.384 1.048 10 30 CDEELP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001507131950 975348102 /nfs/dbraw/zinc/34/81/02/975348102.db2.gz LJAGWZQBJZXNID-STQMWFEESA-N 2 2 276.384 1.048 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001403598108 977092059 /nfs/dbraw/zinc/09/20/59/977092059.db2.gz YKUMEWDWXDTIFS-CYBMUJFWSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001403598108 977092070 /nfs/dbraw/zinc/09/20/70/977092070.db2.gz YKUMEWDWXDTIFS-CYBMUJFWSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001403598108 977092080 /nfs/dbraw/zinc/09/20/80/977092080.db2.gz YKUMEWDWXDTIFS-CYBMUJFWSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001403598108 977092091 /nfs/dbraw/zinc/09/20/91/977092091.db2.gz YKUMEWDWXDTIFS-CYBMUJFWSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392728792 977575526 /nfs/dbraw/zinc/57/55/26/977575526.db2.gz VWGPKNOPTIZJGB-CHWSQXEVSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001392728792 977575531 /nfs/dbraw/zinc/57/55/31/977575531.db2.gz VWGPKNOPTIZJGB-CHWSQXEVSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392728792 977575536 /nfs/dbraw/zinc/57/55/36/977575536.db2.gz VWGPKNOPTIZJGB-CHWSQXEVSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392728792 977575540 /nfs/dbraw/zinc/57/55/40/977575540.db2.gz VWGPKNOPTIZJGB-CHWSQXEVSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001675349353 1174105386 /nfs/dbraw/zinc/10/53/86/1174105386.db2.gz RBEHPNKYKFIRFI-STQMWFEESA-N 2 2 290.411 1.601 10 30 CDEELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191689 342524431 /nfs/dbraw/zinc/52/44/31/342524431.db2.gz NYOWEOSNRZTTEO-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191689 342524432 /nfs/dbraw/zinc/52/44/32/342524432.db2.gz NYOWEOSNRZTTEO-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191689 342524433 /nfs/dbraw/zinc/52/44/33/342524433.db2.gz NYOWEOSNRZTTEO-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191689 342524434 /nfs/dbraw/zinc/52/44/34/342524434.db2.gz NYOWEOSNRZTTEO-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+](C)CCN1CC[N@H+](CCCCC(C)(C)C#N)CC1=O ZINC000593052984 342764025 /nfs/dbraw/zinc/76/40/25/342764025.db2.gz VOFWLMRHGSIJIN-UHFFFAOYSA-N 2 2 294.443 1.412 10 30 CDEELP C[NH+](C)CCN1CC[N@@H+](CCCCC(C)(C)C#N)CC1=O ZINC000593052984 342764026 /nfs/dbraw/zinc/76/40/26/342764026.db2.gz VOFWLMRHGSIJIN-UHFFFAOYSA-N 2 2 294.443 1.412 10 30 CDEELP C[NH+](C)CCN1CC[N@H+](CCCC(C)(C)C#N)CC1=O ZINC000593053032 342764157 /nfs/dbraw/zinc/76/41/57/342764157.db2.gz VWLNLFNHLIUYKK-UHFFFAOYSA-N 2 2 280.416 1.022 10 30 CDEELP C[NH+](C)CCN1CC[N@@H+](CCCC(C)(C)C#N)CC1=O ZINC000593053032 342764158 /nfs/dbraw/zinc/76/41/58/342764158.db2.gz VWLNLFNHLIUYKK-UHFFFAOYSA-N 2 2 280.416 1.022 10 30 CDEELP C[N@H+](C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676472 344116417 /nfs/dbraw/zinc/11/64/17/344116417.db2.gz AHRLKRJBQZNYMS-KRWDZBQOSA-N 2 2 299.418 1.566 10 30 CDEELP C[N@@H+](C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676472 344116418 /nfs/dbraw/zinc/11/64/18/344116418.db2.gz AHRLKRJBQZNYMS-KRWDZBQOSA-N 2 2 299.418 1.566 10 30 CDEELP C[NH+](C[C@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676472 344116419 /nfs/dbraw/zinc/11/64/19/344116419.db2.gz AHRLKRJBQZNYMS-KRWDZBQOSA-N 2 2 299.418 1.566 10 30 CDEELP C[NH+](C[C@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599676472 344116420 /nfs/dbraw/zinc/11/64/20/344116420.db2.gz AHRLKRJBQZNYMS-KRWDZBQOSA-N 2 2 299.418 1.566 10 30 CDEELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809515 346441027 /nfs/dbraw/zinc/44/10/27/346441027.db2.gz DVDZZZAKORASID-CZUORRHYSA-N 2 2 299.422 1.462 10 30 CDEELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809515 346441028 /nfs/dbraw/zinc/44/10/28/346441028.db2.gz DVDZZZAKORASID-CZUORRHYSA-N 2 2 299.422 1.462 10 30 CDEELP C[NH+](C)C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000036192036 361219754 /nfs/dbraw/zinc/21/97/54/361219754.db2.gz HVNKGJWBJHZIIS-UHFFFAOYSA-N 2 2 273.380 1.963 10 30 CDEELP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000565417652 370441678 /nfs/dbraw/zinc/44/16/78/370441678.db2.gz XBLBDDNFBBWNLN-LBPRGKRZSA-N 2 2 253.309 1.867 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001661787577 1172448301 /nfs/dbraw/zinc/44/83/01/1172448301.db2.gz BTZGTQCLEPZNKD-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001661787577 1172448307 /nfs/dbraw/zinc/44/83/07/1172448307.db2.gz BTZGTQCLEPZNKD-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621341 375882117 /nfs/dbraw/zinc/88/21/17/375882117.db2.gz CIMTUWHVEXZSED-KFWWJZLASA-N 2 2 277.412 1.069 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621341 375882123 /nfs/dbraw/zinc/88/21/23/375882123.db2.gz CIMTUWHVEXZSED-KFWWJZLASA-N 2 2 277.412 1.069 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621341 375882131 /nfs/dbraw/zinc/88/21/31/375882131.db2.gz CIMTUWHVEXZSED-KFWWJZLASA-N 2 2 277.412 1.069 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193621341 375882136 /nfs/dbraw/zinc/88/21/36/375882136.db2.gz CIMTUWHVEXZSED-KFWWJZLASA-N 2 2 277.412 1.069 10 30 CDEELP C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631258405 376045678 /nfs/dbraw/zinc/04/56/78/376045678.db2.gz RSWSRCWIIGNECW-CQSZACIVSA-N 2 2 291.439 1.627 10 30 CDEELP C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631258405 376045680 /nfs/dbraw/zinc/04/56/80/376045680.db2.gz RSWSRCWIIGNECW-CQSZACIVSA-N 2 2 291.439 1.627 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152475 412906841 /nfs/dbraw/zinc/90/68/41/412906841.db2.gz FYHZOKIBEQRINI-DZGCQCFKSA-N 2 2 250.386 1.319 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152475 412906850 /nfs/dbraw/zinc/90/68/50/412906850.db2.gz FYHZOKIBEQRINI-DZGCQCFKSA-N 2 2 250.386 1.319 10 30 CDEELP C#CCC[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001664068207 1172806807 /nfs/dbraw/zinc/80/68/07/1172806807.db2.gz BRQMRSYNXDCBCI-UHFFFAOYSA-N 2 2 270.336 1.019 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001664217417 1172826014 /nfs/dbraw/zinc/82/60/14/1172826014.db2.gz OCRHNBGZWPGZBZ-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP CN(CC[NH+](C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000348907271 154006046 /nfs/dbraw/zinc/00/60/46/154006046.db2.gz WUJOHCBNWNSEOY-UHFFFAOYSA-N 2 2 257.341 1.199 10 30 CDEELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000040672856 174371022 /nfs/dbraw/zinc/37/10/22/174371022.db2.gz SGTKSLRTYUURNZ-CQSZACIVSA-N 2 2 259.353 1.773 10 30 CDEELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000040672856 174371024 /nfs/dbraw/zinc/37/10/24/174371024.db2.gz SGTKSLRTYUURNZ-CQSZACIVSA-N 2 2 259.353 1.773 10 30 CDEELP C[C@H]1COCC[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683686 175092058 /nfs/dbraw/zinc/09/20/58/175092058.db2.gz KTVBOLUCCKMFRG-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP C[C@H]1COCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683686 175092059 /nfs/dbraw/zinc/09/20/59/175092059.db2.gz KTVBOLUCCKMFRG-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190778 176069012 /nfs/dbraw/zinc/06/90/12/176069012.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190778 176069013 /nfs/dbraw/zinc/06/90/13/176069013.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190778 176069015 /nfs/dbraw/zinc/06/90/15/176069015.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190778 176069016 /nfs/dbraw/zinc/06/90/16/176069016.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 3 2 266.433 1.542 10 30 CDEELP CC[NH+]1CCN(c2ccc(C[NH2+]CCC#N)cn2)CC1 ZINC000576696538 335235768 /nfs/dbraw/zinc/23/57/68/335235768.db2.gz KGPBPDVXKYSQOI-UHFFFAOYSA-N 2 2 273.384 1.227 10 30 CDEELP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001725514833 1159248178 /nfs/dbraw/zinc/24/81/78/1159248178.db2.gz XZOAJAPYPDFBFE-KGLIPLIRSA-N 2 2 276.384 1.294 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001725510476 1182030391 /nfs/dbraw/zinc/03/03/91/1182030391.db2.gz RVUCBCFOPYNYHH-NWDGAFQWSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001725510476 1182030399 /nfs/dbraw/zinc/03/03/99/1182030399.db2.gz RVUCBCFOPYNYHH-NWDGAFQWSA-N 2 2 264.373 1.211 10 30 CDEELP CC[NH2+][C@](C#N)(CN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000069076934 520223867 /nfs/dbraw/zinc/22/38/67/520223867.db2.gz OPSWXBQLWNPZSI-OAHLLOKOSA-N 2 2 264.417 1.294 10 30 CDEELP C[N@H+](Cc1ccc(F)cc1C#CCO)C1CC[NH+](C)CC1 ZINC000049616551 523253889 /nfs/dbraw/zinc/25/38/89/523253889.db2.gz LXRDCDCYNKBMJJ-UHFFFAOYSA-N 2 2 290.382 1.696 10 30 CDEELP C[N@@H+](Cc1ccc(F)cc1C#CCO)C1CC[NH+](C)CC1 ZINC000049616551 523253895 /nfs/dbraw/zinc/25/38/95/523253895.db2.gz LXRDCDCYNKBMJJ-UHFFFAOYSA-N 2 2 290.382 1.696 10 30 CDEELP N#CCCCC[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000049578680 526444971 /nfs/dbraw/zinc/44/49/71/526444971.db2.gz JDSIQGULWYQFFD-UHFFFAOYSA-N 2 2 259.357 1.480 10 30 CDEELP C#CCC[C@@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC001621052972 1175207993 /nfs/dbraw/zinc/20/79/93/1175207993.db2.gz WRUDYMYLFPXWCY-CYBMUJFWSA-N 2 2 292.345 1.767 10 30 CDEELP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939624692 613350002 /nfs/dbraw/zinc/35/00/02/613350002.db2.gz YTWMKJHLEBAKTK-SMDDNHRTSA-N 2 2 276.384 1.273 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130611 613536102 /nfs/dbraw/zinc/53/61/02/613536102.db2.gz UGOTVZNJLHFYBJ-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130611 613536104 /nfs/dbraw/zinc/53/61/04/613536104.db2.gz UGOTVZNJLHFYBJ-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931488717 617943747 /nfs/dbraw/zinc/94/37/47/617943747.db2.gz UNUUMEZQXADMQU-UHFFFAOYSA-N 2 2 279.428 1.276 10 30 CDEELP C#CCCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931488717 617943762 /nfs/dbraw/zinc/94/37/62/617943762.db2.gz UNUUMEZQXADMQU-UHFFFAOYSA-N 2 2 279.428 1.276 10 30 CDEELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902752065 625317966 /nfs/dbraw/zinc/31/79/66/625317966.db2.gz GAYOJEMWJKTFFK-TZMCWYRMSA-N 2 2 258.369 1.946 10 30 CDEELP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902752065 625317973 /nfs/dbraw/zinc/31/79/73/625317973.db2.gz GAYOJEMWJKTFFK-TZMCWYRMSA-N 2 2 258.369 1.946 10 30 CDEELP C#CC[NH+]1CCC(Nc2cc(C)[nH+]c(CC)n2)CC1 ZINC000895808210 619855003 /nfs/dbraw/zinc/85/50/03/619855003.db2.gz IKMFVLSDQDTMHA-UHFFFAOYSA-N 2 2 258.369 1.857 10 30 CDEELP N#Cc1ccc(C2([NH2+]C[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000903473860 626004672 /nfs/dbraw/zinc/00/46/72/626004672.db2.gz 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C#CC[NH2+]CC1(NC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001715098585 1179551246 /nfs/dbraw/zinc/55/12/46/1179551246.db2.gz VDFAGQWXQFGDOQ-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001715457176 1179672101 /nfs/dbraw/zinc/67/21/01/1179672101.db2.gz MKMHSHRHSWKOSU-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001715457176 1179672106 /nfs/dbraw/zinc/67/21/06/1179672106.db2.gz MKMHSHRHSWKOSU-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715980642 1179961733 /nfs/dbraw/zinc/96/17/33/1179961733.db2.gz DDYJYMJORHIHNL-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001715980642 1179961735 /nfs/dbraw/zinc/96/17/35/1179961735.db2.gz DDYJYMJORHIHNL-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001716224566 1180110291 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C=C(Cl)C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001424496789 957253934 /nfs/dbraw/zinc/25/39/34/957253934.db2.gz DLSSVBNZVLAWTD-UHFFFAOYSA-N 2 2 296.802 1.606 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317452080 957483389 /nfs/dbraw/zinc/48/33/89/957483389.db2.gz VHBBKLDHHDFINR-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317452080 957483394 /nfs/dbraw/zinc/48/33/94/957483394.db2.gz VHBBKLDHHDFINR-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317530111 957531786 /nfs/dbraw/zinc/53/17/86/957531786.db2.gz UAHZBNHLDCPEIM-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317530111 957531788 /nfs/dbraw/zinc/53/17/88/957531788.db2.gz UAHZBNHLDCPEIM-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001495292132 972466163 /nfs/dbraw/zinc/46/61/63/972466163.db2.gz MJFZEEYYPQPOAR-AWEZNQCLSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001442485686 965088645 /nfs/dbraw/zinc/08/86/45/965088645.db2.gz FDTNHMYFSBWLER-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001442485686 965088654 /nfs/dbraw/zinc/08/86/54/965088654.db2.gz FDTNHMYFSBWLER-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442485686 965088666 /nfs/dbraw/zinc/08/86/66/965088666.db2.gz FDTNHMYFSBWLER-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442485686 965088669 /nfs/dbraw/zinc/08/86/69/965088669.db2.gz FDTNHMYFSBWLER-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC001353326790 967904237 /nfs/dbraw/zinc/90/42/37/967904237.db2.gz ZFKRUFXWIWPNAF-HNNXBMFYSA-N 2 2 252.402 1.471 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001496900419 973138009 /nfs/dbraw/zinc/13/80/09/973138009.db2.gz YTNGOZBTTIQEEO-CABCVRRESA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001499912578 974332109 /nfs/dbraw/zinc/33/21/09/974332109.db2.gz OPTJHEGTESEEGA-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001501628578 974612718 /nfs/dbraw/zinc/61/27/18/974612718.db2.gz FSCUPVBZGQRYDL-KGLIPLIRSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001501628578 974612724 /nfs/dbraw/zinc/61/27/24/974612724.db2.gz FSCUPVBZGQRYDL-KGLIPLIRSA-N 2 2 290.411 1.603 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001505631349 974943580 /nfs/dbraw/zinc/94/35/80/974943580.db2.gz BCGZDEYBTRGWPY-STQMWFEESA-N 2 2 289.379 1.139 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001507420250 975462785 /nfs/dbraw/zinc/46/27/85/975462785.db2.gz DRBYLQXPAYJHMD-KGLIPLIRSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(Cl)C[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001391174037 976742265 /nfs/dbraw/zinc/74/22/65/976742265.db2.gz INBXRYOZGHTCPS-UHFFFAOYSA-N 2 2 296.802 1.525 10 30 CDEELP C=C(Cl)C[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001391174037 976742275 /nfs/dbraw/zinc/74/22/75/976742275.db2.gz INBXRYOZGHTCPS-UHFFFAOYSA-N 2 2 296.802 1.525 10 30 CDEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)c1 ZINC001403127567 976746495 /nfs/dbraw/zinc/74/64/95/976746495.db2.gz COZLPHHWTUYPBC-ZDUSSCGKSA-N 2 2 297.362 1.049 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392728807 977575036 /nfs/dbraw/zinc/57/50/36/977575036.db2.gz VWGPKNOPTIZJGB-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392728807 977575045 /nfs/dbraw/zinc/57/50/45/977575045.db2.gz VWGPKNOPTIZJGB-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392728807 977575051 /nfs/dbraw/zinc/57/50/51/977575051.db2.gz VWGPKNOPTIZJGB-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392728807 977575058 /nfs/dbraw/zinc/57/50/58/977575058.db2.gz VWGPKNOPTIZJGB-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C#CC[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001570781663 1170280024 /nfs/dbraw/zinc/28/00/24/1170280024.db2.gz VWUNMEQINHAHGZ-AWEZNQCLSA-N 2 2 290.411 1.357 10 30 CDEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCC#N ZINC000594290737 342888074 /nfs/dbraw/zinc/88/80/74/342888074.db2.gz PGIPTUNXKPSXPW-UHFFFAOYSA-N 2 2 294.443 1.555 10 30 CDEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCC#N ZINC000594290737 342888075 /nfs/dbraw/zinc/88/80/75/342888075.db2.gz PGIPTUNXKPSXPW-UHFFFAOYSA-N 2 2 294.443 1.555 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000085969494 179206647 /nfs/dbraw/zinc/20/66/47/179206647.db2.gz SLLGERGEPHKFMS-DZGCQCFKSA-N 2 2 250.386 1.225 10 30 CDEELP C[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271860974 191373723 /nfs/dbraw/zinc/37/37/23/191373723.db2.gz KHNHMUFGXPHKQM-CQSZACIVSA-N 2 2 287.407 1.883 10 30 CDEELP C#C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001660384535 1172206442 /nfs/dbraw/zinc/20/64/42/1172206442.db2.gz IFRYNFUQJDVPSP-USXIJHARSA-N 2 2 272.392 1.623 10 30 CDEELP C#C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001660384535 1172206450 /nfs/dbraw/zinc/20/64/50/1172206450.db2.gz IFRYNFUQJDVPSP-USXIJHARSA-N 2 2 272.392 1.623 10 30 CDEELP C#CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256578 358423028 /nfs/dbraw/zinc/42/30/28/358423028.db2.gz QUUAFGBYWVCUMD-CYBMUJFWSA-N 2 2 263.410 1.838 10 30 CDEELP C#CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256578 358423031 /nfs/dbraw/zinc/42/30/31/358423031.db2.gz QUUAFGBYWVCUMD-CYBMUJFWSA-N 2 2 263.410 1.838 10 30 CDEELP C#CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256578 358423033 /nfs/dbraw/zinc/42/30/33/358423033.db2.gz QUUAFGBYWVCUMD-CYBMUJFWSA-N 2 2 263.410 1.838 10 30 CDEELP C#CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256578 358423035 /nfs/dbraw/zinc/42/30/35/358423035.db2.gz QUUAFGBYWVCUMD-CYBMUJFWSA-N 2 2 263.410 1.838 10 30 CDEELP C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1C#N ZINC000592087361 358585819 /nfs/dbraw/zinc/58/58/19/358585819.db2.gz UQEDOQOIWANRTP-UHFFFAOYSA-N 2 2 255.325 1.672 10 30 CDEELP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1C#N ZINC000592087361 358585823 /nfs/dbraw/zinc/58/58/23/358585823.db2.gz UQEDOQOIWANRTP-UHFFFAOYSA-N 2 2 255.325 1.672 10 30 CDEELP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CC2 ZINC000453274436 391414965 /nfs/dbraw/zinc/41/49/65/391414965.db2.gz WGIZOBBOWTVEOK-FUHWJXTLSA-N 2 2 299.418 1.982 10 30 CDEELP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CC2 ZINC000453274436 391414969 /nfs/dbraw/zinc/41/49/69/391414969.db2.gz WGIZOBBOWTVEOK-FUHWJXTLSA-N 2 2 299.418 1.982 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665691688 1173038702 /nfs/dbraw/zinc/03/87/02/1173038702.db2.gz NNZHIYZBGRLVHA-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665691688 1173038710 /nfs/dbraw/zinc/03/87/10/1173038710.db2.gz NNZHIYZBGRLVHA-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000038042037 174044489 /nfs/dbraw/zinc/04/44/89/174044489.db2.gz SJCRRXVARBAWNN-MRXNPFEDSA-N 3 2 277.456 1.796 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001665808242 1173064994 /nfs/dbraw/zinc/06/49/94/1173064994.db2.gz AMFJEMIGWJIFRK-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684239 175093295 /nfs/dbraw/zinc/09/32/95/175093295.db2.gz RJAQWHFWEAEYKT-UHFFFAOYSA-N 3 2 291.464 1.974 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684239 175093296 /nfs/dbraw/zinc/09/32/96/175093296.db2.gz RJAQWHFWEAEYKT-UHFFFAOYSA-N 3 2 291.464 1.974 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000045182845 175325703 /nfs/dbraw/zinc/32/57/03/175325703.db2.gz CAZTVFHCYLNNNM-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](C)CCc1ccncc1 ZINC000045312665 175357510 /nfs/dbraw/zinc/35/75/10/175357510.db2.gz HLSVWEQDDMZVNL-OAHLLOKOSA-N 2 2 260.385 1.838 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CCc1ccncc1 ZINC000045312665 175357511 /nfs/dbraw/zinc/35/75/11/175357511.db2.gz HLSVWEQDDMZVNL-OAHLLOKOSA-N 2 2 260.385 1.838 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[NH+](CCOC)CCOC ZINC000045318560 175359108 /nfs/dbraw/zinc/35/91/08/175359108.db2.gz YUKFMFGSYHLVHG-CQSZACIVSA-N 2 2 271.405 1.253 10 30 CDEELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)n1C ZINC000425340878 264007538 /nfs/dbraw/zinc/00/75/38/264007538.db2.gz BSGYCTBZYUTYQC-RYUDHWBXSA-N 2 2 261.373 1.658 10 30 CDEELP C=C(Cl)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119542764 267345132 /nfs/dbraw/zinc/34/51/32/267345132.db2.gz NJULQUKBJRENCD-YIONKMFJSA-N 2 2 283.847 1.982 10 30 CDEELP C=C(Cl)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119542764 267345135 /nfs/dbraw/zinc/34/51/35/267345135.db2.gz NJULQUKBJRENCD-YIONKMFJSA-N 2 2 283.847 1.982 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001669973167 1173639103 /nfs/dbraw/zinc/63/91/03/1173639103.db2.gz FWGJHZCKIXRRIG-ZFWWWQNUSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(C)CC[NH2+]C1CC[NH+](CCNC(C)=O)CC1 ZINC001672447826 1173773511 /nfs/dbraw/zinc/77/35/11/1173773511.db2.gz SAYPMEJLQKDRJD-UHFFFAOYSA-N 2 2 253.390 1.143 10 30 CDEELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000408157531 327141448 /nfs/dbraw/zinc/14/14/48/327141448.db2.gz DFJFSIPMMUOWSY-AWEZNQCLSA-N 2 2 292.427 1.165 10 30 CDEELP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)NC1CCCCC1 ZINC000262024987 329998516 /nfs/dbraw/zinc/99/85/16/329998516.db2.gz ZEAZPECIJMWZQT-UHFFFAOYSA-N 2 2 289.427 1.999 10 30 CDEELP COc1ccccc1[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+](C)C ZINC000262640944 330024116 /nfs/dbraw/zinc/02/41/16/330024116.db2.gz HTDLLWSJTBJAJN-DGCLKSJQSA-N 2 2 276.384 1.235 10 30 CDEELP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001725511196 1159248234 /nfs/dbraw/zinc/24/82/34/1159248234.db2.gz LDEXMNGNFCTTFG-UONOGXRCSA-N 2 2 276.384 1.294 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268751589 1160014171 /nfs/dbraw/zinc/01/41/71/1160014171.db2.gz VAKHSAYGOKWDPC-KBPBESRZSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268751589 1160014178 /nfs/dbraw/zinc/01/41/78/1160014178.db2.gz VAKHSAYGOKWDPC-KBPBESRZSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268751589 1160014181 /nfs/dbraw/zinc/01/41/81/1160014181.db2.gz VAKHSAYGOKWDPC-KBPBESRZSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268751589 1160014188 /nfs/dbraw/zinc/01/41/88/1160014188.db2.gz VAKHSAYGOKWDPC-KBPBESRZSA-N 2 2 292.427 1.991 10 30 CDEELP CN[C@@](C)(C#N)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034639 522406530 /nfs/dbraw/zinc/40/65/30/522406530.db2.gz RVDADOJPJMPHIV-HNNXBMFYSA-N 2 2 264.417 1.296 10 30 CDEELP CC(C)[NH2+][C@@](C#N)(CN(C)CC[NH+](C)C)C1CC1 ZINC000069083823 519735207 /nfs/dbraw/zinc/73/52/07/519735207.db2.gz MCGQJXPPLXCWDQ-AWEZNQCLSA-N 2 2 252.406 1.150 10 30 CDEELP CC(C)[NH2+][C@H](C#N)CCN1CC[NH+](C2CCCC2)CC1 ZINC000062438872 519738140 /nfs/dbraw/zinc/73/81/40/519738140.db2.gz ISIZMYISXGXNMC-HNNXBMFYSA-N 2 2 278.444 1.827 10 30 CDEELP CC[NH2+][C@@](C#N)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069083297 520128120 /nfs/dbraw/zinc/12/81/20/520128120.db2.gz CWQNNTKHFZEEEU-HOTGVXAUSA-N 2 2 278.444 1.684 10 30 CDEELP Cn1cc[nH+]c1CN1CC[NH+](CCCCC#N)CC1 ZINC000069442886 527431754 /nfs/dbraw/zinc/43/17/54/527431754.db2.gz CCHMENVDYRBYJJ-UHFFFAOYSA-N 2 2 261.373 1.232 10 30 CDEELP C#CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000752634207 577116939 /nfs/dbraw/zinc/11/69/39/577116939.db2.gz CTJCGFPLKQBJOH-UHFFFAOYSA-N 2 2 264.292 1.646 10 30 CDEELP CC#CC[N@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568483413 1169317072 /nfs/dbraw/zinc/31/70/72/1169317072.db2.gz UOFTYEBADRJBTK-UHFFFAOYSA-N 2 2 298.390 1.670 10 30 CDEELP CC#CC[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568483413 1169317083 /nfs/dbraw/zinc/31/70/83/1169317083.db2.gz UOFTYEBADRJBTK-UHFFFAOYSA-N 2 2 298.390 1.670 10 30 CDEELP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664813014 1172913887 /nfs/dbraw/zinc/91/38/87/1172913887.db2.gz WSVXSSQDYULWFS-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001664813014 1172913889 /nfs/dbraw/zinc/91/38/89/1172913889.db2.gz WSVXSSQDYULWFS-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664813014 1172913900 /nfs/dbraw/zinc/91/39/00/1172913900.db2.gz WSVXSSQDYULWFS-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001664813014 1172913905 /nfs/dbraw/zinc/91/39/05/1172913905.db2.gz WSVXSSQDYULWFS-CQSZACIVSA-N 2 2 288.395 1.146 10 30 CDEELP C=CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001666345280 1173127824 /nfs/dbraw/zinc/12/78/24/1173127824.db2.gz ZGSWDHUTMDSUPM-UHFFFAOYSA-N 2 2 284.363 1.544 10 30 CDEELP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001667400475 1173262973 /nfs/dbraw/zinc/26/29/73/1173262973.db2.gz JXGPWUDOTBOFPG-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C#CC[NH2+]CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001699099730 1176091724 /nfs/dbraw/zinc/09/17/24/1176091724.db2.gz MDROZJQQDFFYMK-GFCCVEGCSA-N 2 2 284.363 1.374 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001699580628 1176482618 /nfs/dbraw/zinc/48/26/18/1176482618.db2.gz WWDIIERAHVLGGW-JHJVBQTASA-N 2 2 274.368 1.184 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001699580628 1176482620 /nfs/dbraw/zinc/48/26/20/1176482620.db2.gz WWDIIERAHVLGGW-JHJVBQTASA-N 2 2 274.368 1.184 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699760395 1176610592 /nfs/dbraw/zinc/61/05/92/1176610592.db2.gz KJRHGBLMLJWGQN-CABCVRRESA-N 2 2 288.395 1.438 10 30 CDEELP C#CCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001700698383 1177080849 /nfs/dbraw/zinc/08/08/49/1177080849.db2.gz XIKIBHAABVGTSX-UHFFFAOYSA-N 2 2 288.395 1.207 10 30 CDEELP C#CCC[N@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001700698383 1177080856 /nfs/dbraw/zinc/08/08/56/1177080856.db2.gz XIKIBHAABVGTSX-UHFFFAOYSA-N 2 2 288.395 1.207 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001707051158 1177925698 /nfs/dbraw/zinc/92/56/98/1177925698.db2.gz HCHBFBUIZLSAHH-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001707051158 1177925701 /nfs/dbraw/zinc/92/57/01/1177925701.db2.gz HCHBFBUIZLSAHH-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001713237449 1178447068 /nfs/dbraw/zinc/44/70/68/1178447068.db2.gz ZNWNALAWKVVATB-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001713356900 1178518444 /nfs/dbraw/zinc/51/84/44/1178518444.db2.gz MUGJKFGZUTUCGJ-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001713356900 1178518449 /nfs/dbraw/zinc/51/84/49/1178518449.db2.gz MUGJKFGZUTUCGJ-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714400715 1179125867 /nfs/dbraw/zinc/12/58/67/1179125867.db2.gz DFKIBCQKUUVZHW-UONOGXRCSA-N 2 2 290.411 1.935 10 30 CDEELP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714400715 1179125870 /nfs/dbraw/zinc/12/58/70/1179125870.db2.gz DFKIBCQKUUVZHW-UONOGXRCSA-N 2 2 290.411 1.935 10 30 CDEELP C#CC[NH2+]C[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001715115988 1179556655 /nfs/dbraw/zinc/55/66/55/1179556655.db2.gz VKZQRWJAZBGLLW-QGZVFWFLSA-N 2 2 296.374 1.684 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001715339789 1179633010 /nfs/dbraw/zinc/63/30/10/1179633010.db2.gz OUROWWQZUVTIEP-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001715455957 1179671126 /nfs/dbraw/zinc/67/11/26/1179671126.db2.gz NOYNSLMWPIDXET-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001715457168 1179672709 /nfs/dbraw/zinc/67/27/09/1179672709.db2.gz MKMHSHRHSWKOSU-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001715457168 1179672713 /nfs/dbraw/zinc/67/27/13/1179672713.db2.gz MKMHSHRHSWKOSU-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542657 1180730993 /nfs/dbraw/zinc/73/09/93/1180730993.db2.gz JRRCIRBHWLPXFB-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542657 1180730997 /nfs/dbraw/zinc/73/09/97/1180730997.db2.gz JRRCIRBHWLPXFB-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C#CC[N@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001718035984 1180979732 /nfs/dbraw/zinc/97/97/32/1180979732.db2.gz XMKJTEVXAGNXLP-UHFFFAOYSA-N 2 2 286.379 1.045 10 30 CDEELP C#CC[N@@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001718035984 1180979736 /nfs/dbraw/zinc/97/97/36/1180979736.db2.gz XMKJTEVXAGNXLP-UHFFFAOYSA-N 2 2 286.379 1.045 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001723029783 1181512688 /nfs/dbraw/zinc/51/26/88/1181512688.db2.gz NZCAWTYUUHEXTN-UHFFFAOYSA-N 2 2 290.411 1.386 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001723794443 1181604662 /nfs/dbraw/zinc/60/46/62/1181604662.db2.gz HQLJCPUEHKNTMP-HNNXBMFYSA-N 2 2 281.444 1.826 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001723824689 1181607388 /nfs/dbraw/zinc/60/73/88/1181607388.db2.gz BNPJMBYNJZTANI-ZDUSSCGKSA-N 2 2 276.384 1.380 10 30 CDEELP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001725147855 1181882102 /nfs/dbraw/zinc/88/21/02/1181882102.db2.gz UTHBDXMGYNLLRJ-UHFFFAOYSA-N 2 2 292.427 1.613 10 30 CDEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001725369251 1181977790 /nfs/dbraw/zinc/97/77/90/1181977790.db2.gz NWEBWJBGSRXUEK-HDJSIYSDSA-N 2 2 290.411 1.711 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001731295851 1182299463 /nfs/dbraw/zinc/29/94/63/1182299463.db2.gz JCVBXXGJPABTIQ-HIFRSBDPSA-N 2 2 288.395 1.335 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001731684872 1182517745 /nfs/dbraw/zinc/51/77/45/1182517745.db2.gz KISSAOXTLZGKTN-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731695638 1182520388 /nfs/dbraw/zinc/52/03/88/1182520388.db2.gz DGPUDVIIOVFSKE-KBPBESRZSA-N 2 2 290.411 1.935 10 30 CDEELP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001731838164 1182618675 /nfs/dbraw/zinc/61/86/75/1182618675.db2.gz XUTJKMNTMFDKLL-CQSZACIVSA-N 2 2 290.411 1.807 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001731838164 1182618678 /nfs/dbraw/zinc/61/86/78/1182618678.db2.gz XUTJKMNTMFDKLL-CQSZACIVSA-N 2 2 290.411 1.807 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001732059747 1182744183 /nfs/dbraw/zinc/74/41/83/1182744183.db2.gz MPDYIBQAINYBRQ-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001732059747 1182744187 /nfs/dbraw/zinc/74/41/87/1182744187.db2.gz MPDYIBQAINYBRQ-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP C=C(C)CC[NH+]1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001732112007 1182777507 /nfs/dbraw/zinc/77/75/07/1182777507.db2.gz LVPMTUGEMUGWRK-CYBMUJFWSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001732393894 1182944252 /nfs/dbraw/zinc/94/42/52/1182944252.db2.gz KBZIECLJVPVCEU-UHFFFAOYSA-N 2 2 276.384 1.478 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001732423188 1182958251 /nfs/dbraw/zinc/95/82/51/1182958251.db2.gz PJWSCPMOHSDANL-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001732423188 1182958253 /nfs/dbraw/zinc/95/82/53/1182958253.db2.gz PJWSCPMOHSDANL-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732906466 1183179194 /nfs/dbraw/zinc/17/91/94/1183179194.db2.gz GSYVABWVZNHKGO-SCOBNMCVSA-N 2 2 296.802 1.849 10 30 CDEELP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001732906464 1183180127 /nfs/dbraw/zinc/18/01/27/1183180127.db2.gz GSYVABWVZNHKGO-ITDFMYJTSA-N 2 2 296.802 1.849 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001733550956 1183463755 /nfs/dbraw/zinc/46/37/55/1183463755.db2.gz SHZQZKORBPMFFW-KBPBESRZSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001733550956 1183463759 /nfs/dbraw/zinc/46/37/59/1183463759.db2.gz SHZQZKORBPMFFW-KBPBESRZSA-N 2 2 290.411 1.603 10 30 CDEELP C=CCC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001733777019 1183530978 /nfs/dbraw/zinc/53/09/78/1183530978.db2.gz BJGQSXZWXANTEN-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CCC[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001733777019 1183530983 /nfs/dbraw/zinc/53/09/83/1183530983.db2.gz BJGQSXZWXANTEN-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CCCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001734596662 1183840180 /nfs/dbraw/zinc/84/01/80/1183840180.db2.gz BLDZNLXHTPMMSK-UHFFFAOYSA-N 2 2 276.384 1.497 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000880613987 705930342 /nfs/dbraw/zinc/93/03/42/705930342.db2.gz OQIBKYMZPYKAKO-GJZGRUSLSA-N 2 2 291.439 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880613987 705930345 /nfs/dbraw/zinc/93/03/45/705930345.db2.gz OQIBKYMZPYKAKO-GJZGRUSLSA-N 2 2 291.439 1.273 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000880613987 705930349 /nfs/dbraw/zinc/93/03/49/705930349.db2.gz OQIBKYMZPYKAKO-GJZGRUSLSA-N 2 2 291.439 1.273 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000880613987 705930355 /nfs/dbraw/zinc/93/03/55/705930355.db2.gz OQIBKYMZPYKAKO-GJZGRUSLSA-N 2 2 291.439 1.273 10 30 CDEELP N#C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC000931287093 705971750 /nfs/dbraw/zinc/97/17/50/705971750.db2.gz MSXZSANEUVOTLI-GOEBONIOSA-N 2 2 277.412 1.865 10 30 CDEELP N#C[C@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC000931287093 705971756 /nfs/dbraw/zinc/97/17/56/705971756.db2.gz MSXZSANEUVOTLI-GOEBONIOSA-N 2 2 277.412 1.865 10 30 CDEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@H]1CCOc2ccccc21 ZINC000261670852 710122666 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C[C@@]1(C[NH+]2CCN(c3ccsc3C#N)CC2)CC[NH2+]C1 ZINC000594734785 342950054 /nfs/dbraw/zinc/95/00/54/342950054.db2.gz FETVDDMXUNGRFA-OAHLLOKOSA-N 2 2 290.436 1.741 10 30 CDEELP C[C@@H](CCC#N)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864952 343175807 /nfs/dbraw/zinc/17/58/07/343175807.db2.gz XVVUTFALCZKBIW-JSGCOSHPSA-N 2 2 251.374 1.210 10 30 CDEELP C[C@@H](CCC#N)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864952 343175809 /nfs/dbraw/zinc/17/58/09/343175809.db2.gz XVVUTFALCZKBIW-JSGCOSHPSA-N 2 2 251.374 1.210 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sccc1C#N ZINC000597990448 343681839 /nfs/dbraw/zinc/68/18/39/343681839.db2.gz WHAHATPOFXFLPM-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sccc1C#N ZINC000597990448 343681841 /nfs/dbraw/zinc/68/18/41/343681841.db2.gz WHAHATPOFXFLPM-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP CNC(NC[C@@H](c1ccc(OC)cc1)[NH+](C)C)=[NH+]C ZINC000075126456 346101528 /nfs/dbraw/zinc/10/15/28/346101528.db2.gz ZLCLISCMOBNRFZ-ZDUSSCGKSA-N 2 2 264.373 1.093 10 30 CDEELP C#CCCCCCC[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001660748242 1172268699 /nfs/dbraw/zinc/26/86/99/1172268699.db2.gz BNMMYCMQEKSWRQ-JKSUJKDBSA-N 2 2 265.445 1.794 10 30 CDEELP C#CCCCCCC[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001660748242 1172268703 /nfs/dbraw/zinc/26/87/03/1172268703.db2.gz BNMMYCMQEKSWRQ-JKSUJKDBSA-N 2 2 265.445 1.794 10 30 CDEELP COc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)ccc1C#N ZINC000414955944 374221470 /nfs/dbraw/zinc/22/14/70/374221470.db2.gz PBRTUVWMUHPBRS-FZMZJTMJSA-N 2 2 259.353 1.797 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831346 376670970 /nfs/dbraw/zinc/67/09/70/376670970.db2.gz AYJVTKMMYUEODG-CQSZACIVSA-N 2 2 265.401 1.390 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831346 376670972 /nfs/dbraw/zinc/67/09/72/376670972.db2.gz AYJVTKMMYUEODG-CQSZACIVSA-N 2 2 265.401 1.390 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292113484 378489998 /nfs/dbraw/zinc/48/99/98/378489998.db2.gz JJMCQFCGYXOJGB-WBVHZDCISA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292113484 378490006 /nfs/dbraw/zinc/49/00/06/378490006.db2.gz JJMCQFCGYXOJGB-WBVHZDCISA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292113484 378490013 /nfs/dbraw/zinc/49/00/13/378490013.db2.gz JJMCQFCGYXOJGB-WBVHZDCISA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292113484 378490017 /nfs/dbraw/zinc/49/00/17/378490017.db2.gz JJMCQFCGYXOJGB-WBVHZDCISA-N 2 2 291.439 1.603 10 30 CDEELP C[N@H+](CCCC#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863250 390520573 /nfs/dbraw/zinc/52/05/73/390520573.db2.gz SDZKUFUOAHJCPD-UHFFFAOYSA-N 2 2 275.400 1.583 10 30 CDEELP C[N@@H+](CCCC#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863250 390520578 /nfs/dbraw/zinc/52/05/78/390520578.db2.gz SDZKUFUOAHJCPD-UHFFFAOYSA-N 2 2 275.400 1.583 10 30 CDEELP C=CC(C)(C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665024651 413799919 /nfs/dbraw/zinc/79/99/19/413799919.db2.gz RWNVFMBHDFDCKH-UHFFFAOYSA-N 2 2 284.448 1.381 10 30 CDEELP C=CC(C)(C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665024651 413799924 /nfs/dbraw/zinc/79/99/24/413799924.db2.gz RWNVFMBHDFDCKH-UHFFFAOYSA-N 2 2 284.448 1.381 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001665803744 1173063480 /nfs/dbraw/zinc/06/34/80/1173063480.db2.gz BPMKIZLMOKBBLM-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001665803744 1173063490 /nfs/dbraw/zinc/06/34/90/1173063490.db2.gz BPMKIZLMOKBBLM-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043595737 175076500 /nfs/dbraw/zinc/07/65/00/175076500.db2.gz FVOHIBXXDITXAI-INIZCTEOSA-N 2 2 285.391 1.204 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045320994 175359231 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WNGGLTLSXDJVDJ-MGPQQGTHSA-N 2 2 290.411 1.916 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001699754984 1176608676 /nfs/dbraw/zinc/60/86/76/1176608676.db2.gz HGSJHKWYZQTIDI-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001700469120 1176958437 /nfs/dbraw/zinc/95/84/37/1176958437.db2.gz GSEYFXOWOJGMMS-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001700469120 1176958442 /nfs/dbraw/zinc/95/84/42/1176958442.db2.gz GSEYFXOWOJGMMS-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001700902853 1177188444 /nfs/dbraw/zinc/18/84/44/1177188444.db2.gz UOCRMELDQSFRQW-ZIAGYGMSSA-N 2 2 296.374 1.456 10 30 CDEELP C=CC[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001712953886 1178263511 /nfs/dbraw/zinc/26/35/11/1178263511.db2.gz GFJWYVVVZDIGJB-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C=CC[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001712953886 1178263514 /nfs/dbraw/zinc/26/35/14/1178263514.db2.gz GFJWYVVVZDIGJB-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001713002819 1178293933 /nfs/dbraw/zinc/29/39/33/1178293933.db2.gz OPAZJQVOTPKCJB-UONOGXRCSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001713120423 1178380540 /nfs/dbraw/zinc/38/05/40/1178380540.db2.gz BBYWEXDVJFWQOX-DZGCQCFKSA-N 2 2 288.395 1.342 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713202642 1178430171 /nfs/dbraw/zinc/43/01/71/1178430171.db2.gz KZUUPXKNURMOGA-MELADBBJSA-N 2 2 274.368 1.094 10 30 CDEELP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001713409635 1178544792 /nfs/dbraw/zinc/54/47/92/1178544792.db2.gz DDCLJLMZLAWXPY-JHJVBQTASA-N 2 2 274.368 1.021 10 30 CDEELP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001713409635 1178544799 /nfs/dbraw/zinc/54/47/99/1178544799.db2.gz DDCLJLMZLAWXPY-JHJVBQTASA-N 2 2 274.368 1.021 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714635218 1179287468 /nfs/dbraw/zinc/28/74/68/1179287468.db2.gz OSNHFMQZJAQTKT-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714635218 1179287478 /nfs/dbraw/zinc/28/74/78/1179287478.db2.gz OSNHFMQZJAQTKT-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714635218 1179287482 /nfs/dbraw/zinc/28/74/82/1179287482.db2.gz OSNHFMQZJAQTKT-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714635218 1179287491 /nfs/dbraw/zinc/28/74/91/1179287491.db2.gz OSNHFMQZJAQTKT-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001714778551 1179393365 /nfs/dbraw/zinc/39/33/65/1179393365.db2.gz VVSHXFHQWQMDBH-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001715083482 1179545077 /nfs/dbraw/zinc/54/50/77/1179545077.db2.gz JAYDTQKPDGVSDA-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001715186085 1179572282 /nfs/dbraw/zinc/57/22/82/1179572282.db2.gz JRUGIZBEJBFSGP-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001715186085 1179572286 /nfs/dbraw/zinc/57/22/86/1179572286.db2.gz JRUGIZBEJBFSGP-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001715340315 1179633753 /nfs/dbraw/zinc/63/37/53/1179633753.db2.gz QJNRCNMVXOVZBV-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001715408009 1179659494 /nfs/dbraw/zinc/65/94/94/1179659494.db2.gz WDRRIRBPKCBNAZ-HNNXBMFYSA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C\Cl ZINC001716482722 1180244684 /nfs/dbraw/zinc/24/46/84/1180244684.db2.gz PGIXCGIGVIBLIP-APMKWMSLSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C/C=C\Cl ZINC001716482722 1180244689 /nfs/dbraw/zinc/24/46/89/1180244689.db2.gz PGIXCGIGVIBLIP-APMKWMSLSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C\Cl ZINC001716482722 1180244695 /nfs/dbraw/zinc/24/46/95/1180244695.db2.gz PGIXCGIGVIBLIP-APMKWMSLSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C\Cl ZINC001716482722 1180244699 /nfs/dbraw/zinc/24/46/99/1180244699.db2.gz PGIXCGIGVIBLIP-APMKWMSLSA-N 2 2 297.830 1.273 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001717426740 1180666716 /nfs/dbraw/zinc/66/67/16/1180666716.db2.gz KKFQZUCYYXICIL-MNOVXSKESA-N 2 2 250.346 1.011 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001717888181 1180914402 /nfs/dbraw/zinc/91/44/02/1180914402.db2.gz ZKXLAEBHVBUQMV-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[N@@H+](C)CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001717948821 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REKWZJIOCQHITL-UHFFFAOYSA-N 2 2 290.411 1.513 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)CCCn1cc[nH+]c1)C(C)C ZINC001268227248 901608114 /nfs/dbraw/zinc/60/81/14/901608114.db2.gz JIUCHVMAUKBGFX-AWEZNQCLSA-N 2 2 276.384 1.027 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268666627 902922821 /nfs/dbraw/zinc/92/28/21/902922821.db2.gz ZVIHGKHXPXEEJP-CYBMUJFWSA-N 2 2 286.379 1.466 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001482538288 906953772 /nfs/dbraw/zinc/95/37/72/906953772.db2.gz KKOMRRNWNRBZHC-DZGCQCFKSA-N 2 2 290.411 1.362 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001271922373 906985168 /nfs/dbraw/zinc/98/51/68/906985168.db2.gz GUBNWULJIVZDLC-CQSZACIVSA-N 2 2 278.400 1.269 10 30 CDEELP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001482606602 907878153 /nfs/dbraw/zinc/87/81/53/907878153.db2.gz XEPLCWWHFVFUKQ-HNNXBMFYSA-N 2 2 290.411 1.494 10 30 CDEELP C#CC[N@H+](C)CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001482606602 907878168 /nfs/dbraw/zinc/87/81/68/907878168.db2.gz XEPLCWWHFVFUKQ-HNNXBMFYSA-N 2 2 290.411 1.494 10 30 CDEELP C#CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001272186144 908694352 /nfs/dbraw/zinc/69/43/52/908694352.db2.gz YBNGFBDJIUSVIP-UHFFFAOYSA-N 2 2 287.407 1.142 10 30 CDEELP C#CC[N@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001272186144 908694356 /nfs/dbraw/zinc/69/43/56/908694356.db2.gz YBNGFBDJIUSVIP-UHFFFAOYSA-N 2 2 287.407 1.142 10 30 CDEELP C#CC[NH+](C)CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001272186144 908694362 /nfs/dbraw/zinc/69/43/62/908694362.db2.gz YBNGFBDJIUSVIP-UHFFFAOYSA-N 2 2 287.407 1.142 10 30 CDEELP C#CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001272186144 908694365 /nfs/dbraw/zinc/69/43/65/908694365.db2.gz YBNGFBDJIUSVIP-UHFFFAOYSA-N 2 2 287.407 1.142 10 30 CDEELP C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001484372336 915687049 /nfs/dbraw/zinc/68/70/49/915687049.db2.gz SEWCSXNJWFKACY-KGLIPLIRSA-N 2 2 298.390 1.818 10 30 CDEELP 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/nfs/dbraw/zinc/40/67/94/942406794.db2.gz OUSTZXHPDHYWQP-NSHDSACASA-N 2 2 298.818 1.888 10 30 CDEELP C=CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281046660 942530304 /nfs/dbraw/zinc/53/03/04/942530304.db2.gz LWYDLSPZARGJGE-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001281475728 942582122 /nfs/dbraw/zinc/58/21/22/942582122.db2.gz KNBXQIZMOWCDFJ-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001264372732 944116783 /nfs/dbraw/zinc/11/67/83/944116783.db2.gz LLXXOLZKDPCTBJ-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001264372732 944116787 /nfs/dbraw/zinc/11/67/87/944116787.db2.gz LLXXOLZKDPCTBJ-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001278301156 945540716 /nfs/dbraw/zinc/54/07/16/945540716.db2.gz LCQFQSHKZCZORC-GXTWGEPZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001278437288 948015144 /nfs/dbraw/zinc/01/51/44/948015144.db2.gz BVBOIAULXCNGQJ-OAHLLOKOSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001278437288 948015150 /nfs/dbraw/zinc/01/51/50/948015150.db2.gz BVBOIAULXCNGQJ-OAHLLOKOSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480170244 971612485 /nfs/dbraw/zinc/61/24/85/971612485.db2.gz YOQLIBRFBQUMKL-JOCQHMNTSA-N 2 2 276.384 1.166 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001480233401 971640138 /nfs/dbraw/zinc/64/01/38/971640138.db2.gz ZRVYWQBEQMHSQZ-MELADBBJSA-N 2 2 290.411 1.554 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001493154785 971962529 /nfs/dbraw/zinc/96/25/29/971962529.db2.gz FVRVODDTXGFFSP-GFCCVEGCSA-N 2 2 262.357 1.027 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001493154785 971962533 /nfs/dbraw/zinc/96/25/33/971962533.db2.gz FVRVODDTXGFFSP-GFCCVEGCSA-N 2 2 262.357 1.027 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316662710 955042842 /nfs/dbraw/zinc/04/28/42/955042842.db2.gz VOZOCHHYCXMXKY-MELADBBJSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316662710 955042851 /nfs/dbraw/zinc/04/28/51/955042851.db2.gz VOZOCHHYCXMXKY-MELADBBJSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001317362336 957437546 /nfs/dbraw/zinc/43/75/46/957437546.db2.gz FDPBVZKDOHHZEU-KBPBESRZSA-N 2 2 290.411 1.556 10 30 CDEELP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001333074914 958058209 /nfs/dbraw/zinc/05/82/09/958058209.db2.gz AVDOONSVKVJDMX-UHFFFAOYSA-N 2 2 276.384 1.497 10 30 CDEELP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001333074914 958058223 /nfs/dbraw/zinc/05/82/23/958058223.db2.gz AVDOONSVKVJDMX-UHFFFAOYSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001319792044 958731303 /nfs/dbraw/zinc/73/13/03/958731303.db2.gz WQCMJLKTLOMSAU-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(Cl)C[NH2+]CCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC001320902721 959449935 /nfs/dbraw/zinc/44/99/35/959449935.db2.gz MEKBKLYERIBXPK-UHFFFAOYSA-N 2 2 284.791 1.451 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321563661 959852348 /nfs/dbraw/zinc/85/23/48/959852348.db2.gz MEIBWADVWICWKZ-SNVBAGLBSA-N 2 2 258.325 1.457 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC001336785023 960587483 /nfs/dbraw/zinc/58/74/83/960587483.db2.gz WMMIDFDKAWZNSD-LBPRGKRZSA-N 2 2 278.318 1.377 10 30 CDEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001495495439 972519669 /nfs/dbraw/zinc/51/96/69/972519669.db2.gz CUQAUVLHRSKUFB-UHFFFAOYSA-N 2 2 298.390 1.934 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348022244 965790522 /nfs/dbraw/zinc/79/05/22/965790522.db2.gz CDLBGFLTRKGZTG-UHFFFAOYSA-N 2 2 276.384 1.309 10 30 CDEELP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC001348271563 965905095 /nfs/dbraw/zinc/90/50/95/965905095.db2.gz PCAYBGJBUZTHKI-RDBSUJKOSA-N 2 2 250.386 1.630 10 30 CDEELP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC001348271563 965905105 /nfs/dbraw/zinc/90/51/05/965905105.db2.gz PCAYBGJBUZTHKI-RDBSUJKOSA-N 2 2 250.386 1.630 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001448340736 967077753 /nfs/dbraw/zinc/07/77/53/967077753.db2.gz UNECWRHOWWRLLG-WCQYABFASA-N 2 2 287.835 1.516 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001499848727 974313990 /nfs/dbraw/zinc/31/39/90/974313990.db2.gz NVOFUDXZWKAUDL-QWHCGFSZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001502932640 974805571 /nfs/dbraw/zinc/80/55/71/974805571.db2.gz GIUXGENXVKCNMT-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001502932640 974805574 /nfs/dbraw/zinc/80/55/74/974805574.db2.gz GIUXGENXVKCNMT-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001502932640 974805580 /nfs/dbraw/zinc/80/55/80/974805580.db2.gz GIUXGENXVKCNMT-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001502932640 974805582 /nfs/dbraw/zinc/80/55/82/974805582.db2.gz GIUXGENXVKCNMT-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP C#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001506683938 975203143 /nfs/dbraw/zinc/20/31/43/975203143.db2.gz WENYFGRHAJRQBO-HNNXBMFYSA-N 2 2 299.418 1.188 10 30 CDEELP C#CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001506683938 975203147 /nfs/dbraw/zinc/20/31/47/975203147.db2.gz WENYFGRHAJRQBO-HNNXBMFYSA-N 2 2 299.418 1.188 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001393991991 977999396 /nfs/dbraw/zinc/99/93/96/977999396.db2.gz WIMIYDLXQNXSCG-ZJUUUORDSA-N 2 2 270.764 1.188 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001571633469 1170503559 /nfs/dbraw/zinc/50/35/59/1170503559.db2.gz OURPWLSHUZGLTE-UONOGXRCSA-N 2 2 290.411 1.588 10 30 CDEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600758917 342247780 /nfs/dbraw/zinc/24/77/80/342247780.db2.gz XOFIVTITQQEMJL-HUUCEWRRSA-N 2 2 279.428 1.894 10 30 CDEELP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600758917 342247781 /nfs/dbraw/zinc/24/77/81/342247781.db2.gz XOFIVTITQQEMJL-HUUCEWRRSA-N 2 2 279.428 1.894 10 30 CDEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442767331 362087601 /nfs/dbraw/zinc/08/76/01/362087601.db2.gz MLXHXHCPNCQJFX-HZSPNIEDSA-N 2 2 251.374 1.379 10 30 CDEELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442767331 362087607 /nfs/dbraw/zinc/08/76/07/362087607.db2.gz MLXHXHCPNCQJFX-HZSPNIEDSA-N 2 2 251.374 1.379 10 30 CDEELP Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1C#N ZINC000599386775 344037307 /nfs/dbraw/zinc/03/73/07/344037307.db2.gz XIHRIPGZHFQUJA-UHFFFAOYSA-N 2 2 281.363 1.912 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123568941 345590065 /nfs/dbraw/zinc/59/00/65/345590065.db2.gz CGHAONRUJDYJSN-HUUCEWRRSA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123568941 345590066 /nfs/dbraw/zinc/59/00/66/345590066.db2.gz CGHAONRUJDYJSN-HUUCEWRRSA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123568941 345590067 /nfs/dbraw/zinc/59/00/67/345590067.db2.gz CGHAONRUJDYJSN-HUUCEWRRSA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123568941 345590068 /nfs/dbraw/zinc/59/00/68/345590068.db2.gz CGHAONRUJDYJSN-HUUCEWRRSA-N 2 2 279.428 1.602 10 30 CDEELP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389212 362684002 /nfs/dbraw/zinc/68/40/02/362684002.db2.gz CFEYKXYILNMCDR-AWEZNQCLSA-N 2 2 267.417 1.753 10 30 CDEELP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389212 362684006 /nfs/dbraw/zinc/68/40/06/362684006.db2.gz CFEYKXYILNMCDR-AWEZNQCLSA-N 2 2 267.417 1.753 10 30 CDEELP C=CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186701976 355965587 /nfs/dbraw/zinc/96/55/87/355965587.db2.gz ISJHXFSLGODBIP-MRXNPFEDSA-N 2 2 275.396 1.573 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001663511768 1172713843 /nfs/dbraw/zinc/71/38/43/1172713843.db2.gz AYYUYNQFISKCQM-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001663511768 1172713850 /nfs/dbraw/zinc/71/38/50/1172713850.db2.gz AYYUYNQFISKCQM-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[C@@]1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCC[NH2+]1 ZINC000662694310 413326576 /nfs/dbraw/zinc/32/65/76/413326576.db2.gz OWVGEYRNOVXBJS-SFHVURJKSA-N 2 2 299.418 1.817 10 30 CDEELP C=CC[C@@]1(C(=O)N(C)CCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662798582 413518132 /nfs/dbraw/zinc/51/81/32/413518132.db2.gz DNYNWQSDLTZFOB-HNNXBMFYSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746880 174392362 /nfs/dbraw/zinc/39/23/62/174392362.db2.gz KZNPOBNUBZPULK-YIONKMFJSA-N 2 2 277.412 1.402 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746880 174392364 /nfs/dbraw/zinc/39/23/64/174392364.db2.gz KZNPOBNUBZPULK-YIONKMFJSA-N 2 2 277.412 1.402 10 30 CDEELP N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044559115 175203506 /nfs/dbraw/zinc/20/35/06/175203506.db2.gz SWZKANNDVNASEY-AWEZNQCLSA-N 2 2 286.379 1.700 10 30 CDEELP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044559115 175203507 /nfs/dbraw/zinc/20/35/07/175203507.db2.gz SWZKANNDVNASEY-AWEZNQCLSA-N 2 2 286.379 1.700 10 30 CDEELP CCC[NH+]1CCN(CC[C@@](C)(C#N)[NH2+]CC)CC1 ZINC000045178745 175324325 /nfs/dbraw/zinc/32/43/25/175324325.db2.gz LVYCQEOHKBBFAQ-AWEZNQCLSA-N 2 2 252.406 1.296 10 30 CDEELP C=CCOc1ccccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415113391 263273250 /nfs/dbraw/zinc/27/32/50/263273250.db2.gz RMWPTEHNLASLKF-OAHLLOKOSA-N 2 2 276.380 1.801 10 30 CDEELP C=CCOc1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415113391 263273251 /nfs/dbraw/zinc/27/32/51/263273251.db2.gz RMWPTEHNLASLKF-OAHLLOKOSA-N 2 2 276.380 1.801 10 30 CDEELP Cn1cc[nH+]c1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000331310931 264186321 /nfs/dbraw/zinc/18/63/21/264186321.db2.gz UVERAIGPKIGKFZ-UHFFFAOYSA-N 2 2 293.415 1.544 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001667859359 1173332011 /nfs/dbraw/zinc/33/20/11/1173332011.db2.gz LIYKCUMMTYSQTP-CQSZACIVSA-N 2 2 291.395 1.263 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001668117397 1173371108 /nfs/dbraw/zinc/37/11/08/1173371108.db2.gz HVUVFHZSZBQMPO-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC1CCCCC1 ZINC000262700412 330028066 /nfs/dbraw/zinc/02/80/66/330028066.db2.gz KHBDJFADYYMORT-CQSZACIVSA-N 2 2 280.416 1.087 10 30 CDEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC1CCCCC1 ZINC000262700412 330028067 /nfs/dbraw/zinc/02/80/67/330028067.db2.gz KHBDJFADYYMORT-CQSZACIVSA-N 2 2 280.416 1.087 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001699472631 1176434604 /nfs/dbraw/zinc/43/46/04/1176434604.db2.gz WACZHBQJQYIFDF-LLVKDONJSA-N 2 2 264.373 1.273 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001699472631 1176434609 /nfs/dbraw/zinc/43/46/09/1176434609.db2.gz WACZHBQJQYIFDF-LLVKDONJSA-N 2 2 264.373 1.273 10 30 CDEELP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2C#N)C1 ZINC000061658662 519688274 /nfs/dbraw/zinc/68/82/74/519688274.db2.gz ORAWWBVLFXFAHF-CYBMUJFWSA-N 2 2 258.369 1.773 10 30 CDEELP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2C#N)C1 ZINC000061658662 519688276 /nfs/dbraw/zinc/68/82/76/519688276.db2.gz ORAWWBVLFXFAHF-CYBMUJFWSA-N 2 2 258.369 1.773 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001689912410 1175303509 /nfs/dbraw/zinc/30/35/09/1175303509.db2.gz VWHWKUKJZLZTPB-UKRRQHHQSA-N 2 2 288.395 1.253 10 30 CDEELP C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473516 617598713 /nfs/dbraw/zinc/59/87/13/617598713.db2.gz YUXCVHSHVICTDE-KGLIPLIRSA-N 2 2 265.401 1.189 10 30 CDEELP C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473516 617598716 /nfs/dbraw/zinc/59/87/16/617598716.db2.gz YUXCVHSHVICTDE-KGLIPLIRSA-N 2 2 265.401 1.189 10 30 CDEELP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000895714337 619810916 /nfs/dbraw/zinc/81/09/16/619810916.db2.gz AUYVIVNMHQKVDJ-HNNXBMFYSA-N 2 2 298.427 1.321 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000901083325 623861845 /nfs/dbraw/zinc/86/18/45/623861845.db2.gz SCTNUFUTJYORAT-UHFFFAOYSA-N 2 2 272.352 1.458 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001266611247 1158676622 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CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567107477 1168564621 /nfs/dbraw/zinc/56/46/21/1168564621.db2.gz RXYYBMLYADVDNY-ZDUSSCGKSA-N 2 2 276.384 1.417 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001567367691 1168712776 /nfs/dbraw/zinc/71/27/76/1168712776.db2.gz FTARXZQXSWNWNT-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001567367691 1168712784 /nfs/dbraw/zinc/71/27/84/1168712784.db2.gz FTARXZQXSWNWNT-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001567367691 1168712795 /nfs/dbraw/zinc/71/27/95/1168712795.db2.gz FTARXZQXSWNWNT-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001567367691 1168712803 /nfs/dbraw/zinc/71/28/03/1168712803.db2.gz FTARXZQXSWNWNT-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001568542762 1169355736 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CDEELP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001267793891 899744576 /nfs/dbraw/zinc/74/45/76/899744576.db2.gz KNDUSRMSPNITSS-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001267793891 899744588 /nfs/dbraw/zinc/74/45/88/899744588.db2.gz KNDUSRMSPNITSS-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001268153167 901426597 /nfs/dbraw/zinc/42/65/97/901426597.db2.gz ITZVXZFLCBQAHF-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001268153167 901426604 /nfs/dbraw/zinc/42/66/04/901426604.db2.gz ITZVXZFLCBQAHF-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001268210221 901574607 /nfs/dbraw/zinc/57/46/07/901574607.db2.gz ABEBYBHVCXAVQD-CQSZACIVSA-N 2 2 292.427 1.843 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001481709151 901875056 /nfs/dbraw/zinc/87/50/56/901875056.db2.gz 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/nfs/dbraw/zinc/09/12/36/943091236.db2.gz SWHSMVJCUXZXEE-DZGCQCFKSA-N 2 2 290.411 1.508 10 30 CDEELP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001263961700 944046055 /nfs/dbraw/zinc/04/60/55/944046055.db2.gz ZQSWUVWUWIGROU-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001265358386 944357976 /nfs/dbraw/zinc/35/79/76/944357976.db2.gz IGQBVCHNRSPQSY-AWEZNQCLSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001265358386 944357980 /nfs/dbraw/zinc/35/79/80/944357980.db2.gz IGQBVCHNRSPQSY-AWEZNQCLSA-N 2 2 276.384 1.403 10 30 CDEELP C#CC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001479995595 971524944 /nfs/dbraw/zinc/52/49/44/971524944.db2.gz RBJCZIGPIDPHNL-UHFFFAOYSA-N 2 2 288.395 1.288 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480227134 971637658 /nfs/dbraw/zinc/63/76/58/971637658.db2.gz ACRYELJGPKIXGM-RWMBFGLXSA-N 2 2 276.384 1.401 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480227134 971637660 /nfs/dbraw/zinc/63/76/60/971637660.db2.gz ACRYELJGPKIXGM-RWMBFGLXSA-N 2 2 276.384 1.401 10 30 CDEELP C=CCC[NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001480405878 971706003 /nfs/dbraw/zinc/70/60/03/971706003.db2.gz LZACXNGSFHFAFI-UHFFFAOYSA-N 2 2 290.411 1.866 10 30 CDEELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001364775960 955160402 /nfs/dbraw/zinc/16/04/02/955160402.db2.gz YOSCRQSJPUYQBZ-OKZBNKHCSA-N 2 2 299.418 1.865 10 30 CDEELP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001364775960 955160406 /nfs/dbraw/zinc/16/04/06/955160406.db2.gz YOSCRQSJPUYQBZ-OKZBNKHCSA-N 2 2 299.418 1.865 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001364775960 955160412 /nfs/dbraw/zinc/16/04/12/955160412.db2.gz YOSCRQSJPUYQBZ-OKZBNKHCSA-N 2 2 299.418 1.865 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001364775960 955160418 /nfs/dbraw/zinc/16/04/18/955160418.db2.gz YOSCRQSJPUYQBZ-OKZBNKHCSA-N 2 2 299.418 1.865 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480650225 955656088 /nfs/dbraw/zinc/65/60/88/955656088.db2.gz CKXCKMVHUIXMOX-LBPRGKRZSA-N 2 2 284.363 1.801 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001493891639 972133197 /nfs/dbraw/zinc/13/31/97/972133197.db2.gz FAWSIULQEIYPNW-INIZCTEOSA-N 2 2 298.390 1.906 10 30 CDEELP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001331333578 956975141 /nfs/dbraw/zinc/97/51/41/956975141.db2.gz MTNKTZWNYAKDBB-DOMZBBRYSA-N 2 2 288.395 1.048 10 30 CDEELP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001331333578 956975151 /nfs/dbraw/zinc/97/51/51/956975151.db2.gz MTNKTZWNYAKDBB-DOMZBBRYSA-N 2 2 288.395 1.048 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001317281087 957401794 /nfs/dbraw/zinc/40/17/94/957401794.db2.gz OMTXADZIBJWYSD-RYUDHWBXSA-N 2 2 264.373 1.401 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001317407018 957457425 /nfs/dbraw/zinc/45/74/25/957457425.db2.gz BMGRPQGLVZMONJ-UONOGXRCSA-N 2 2 278.400 1.895 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001332289664 957507480 /nfs/dbraw/zinc/50/74/80/957507480.db2.gz AXSUXXAFUICBEV-ZIAGYGMSSA-N 2 2 276.384 1.334 10 30 CDEELP C=CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001317558967 957554538 /nfs/dbraw/zinc/55/45/38/957554538.db2.gz NYXVYGMVUAHDTA-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001317558967 957554545 /nfs/dbraw/zinc/55/45/45/957554545.db2.gz NYXVYGMVUAHDTA-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001332823195 957862635 /nfs/dbraw/zinc/86/26/35/957862635.db2.gz MVJWIIKBOVIKSD-CYBMUJFWSA-N 2 2 292.427 1.659 10 30 CDEELP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001333119327 958084365 /nfs/dbraw/zinc/08/43/65/958084365.db2.gz GPXHDWKZIBLWFP-NFOMZHRRSA-N 2 2 290.411 1.989 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001318479538 958127416 /nfs/dbraw/zinc/12/74/16/958127416.db2.gz RAGRWROJTHBEIU-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001318479538 958127432 /nfs/dbraw/zinc/12/74/32/958127432.db2.gz RAGRWROJTHBEIU-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001367814644 958395764 /nfs/dbraw/zinc/39/57/64/958395764.db2.gz QQSZDWGCJLUTIR-NWDGAFQWSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001367814644 958395785 /nfs/dbraw/zinc/39/57/85/958395785.db2.gz QQSZDWGCJLUTIR-NWDGAFQWSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368998999 959386318 /nfs/dbraw/zinc/38/63/18/959386318.db2.gz PMUUEBOLVOYNTR-NWDGAFQWSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001368998999 959386339 /nfs/dbraw/zinc/38/63/39/959386339.db2.gz PMUUEBOLVOYNTR-NWDGAFQWSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001369426890 959680470 /nfs/dbraw/zinc/68/04/70/959680470.db2.gz HPJHBIDLHYYPBU-STQMWFEESA-N 2 2 296.802 1.510 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001323479652 960762858 /nfs/dbraw/zinc/76/28/58/960762858.db2.gz KKEVAMMYAJESNT-CYBMUJFWSA-N 2 2 288.395 1.260 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418710382 960932876 /nfs/dbraw/zinc/93/28/76/960932876.db2.gz SCGPCJGPUDVHHU-HAQNSBGRSA-N 2 2 282.775 1.120 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC001544084874 967338961 /nfs/dbraw/zinc/33/89/61/967338961.db2.gz WGMZBECEQWCJEN-CQSZACIVSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001544084874 967338969 /nfs/dbraw/zinc/33/89/69/967338969.db2.gz WGMZBECEQWCJEN-CQSZACIVSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC001544084874 967338974 /nfs/dbraw/zinc/33/89/74/967338974.db2.gz WGMZBECEQWCJEN-CQSZACIVSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC001544084874 967338979 /nfs/dbraw/zinc/33/89/79/967338979.db2.gz WGMZBECEQWCJEN-CQSZACIVSA-N 2 2 277.412 1.027 10 30 CDEELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)/N=C/c1cccc(O)c1O ZINC000849171089 969912830 /nfs/dbraw/zinc/91/28/30/969912830.db2.gz XWGGNZLCNCCUSR-HNEYUBDGSA-N 2 2 293.411 1.789 10 30 CDEELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)/N=C/c1cccc(O)c1O ZINC000849171089 969912836 /nfs/dbraw/zinc/91/28/36/969912836.db2.gz XWGGNZLCNCCUSR-HNEYUBDGSA-N 2 2 293.411 1.789 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001507419672 975461706 /nfs/dbraw/zinc/46/17/06/975461706.db2.gz WPEDSBCKWZBRPK-ZIAGYGMSSA-N 2 2 288.395 1.158 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001507951605 975571593 /nfs/dbraw/zinc/57/15/93/975571593.db2.gz LNKMXMJXQGLUSH-CYBMUJFWSA-N 2 2 276.384 1.096 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001507951605 975571601 /nfs/dbraw/zinc/57/16/01/975571601.db2.gz LNKMXMJXQGLUSH-CYBMUJFWSA-N 2 2 276.384 1.096 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001569819765 1170005957 /nfs/dbraw/zinc/00/59/57/1170005957.db2.gz CWQUTDOYSQBOHS-OLZOCXBDSA-N 2 2 276.384 1.355 10 30 CDEELP Cc1cccn2cc(CC[NH2+]C[C@H](O)CC3(C#N)CC3)[nH+]c12 ZINC000600731690 342245823 /nfs/dbraw/zinc/24/58/23/342245823.db2.gz YOSFGMYFXUPQMP-OAHLLOKOSA-N 2 2 298.390 1.830 10 30 CDEELP N#CCc1cccc2c1CC[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000600747683 342247621 /nfs/dbraw/zinc/24/76/21/342247621.db2.gz AWAHYUWMENTZSS-HNNXBMFYSA-N 2 2 271.364 1.099 10 30 CDEELP N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000600747683 342247622 /nfs/dbraw/zinc/24/76/22/342247622.db2.gz AWAHYUWMENTZSS-HNNXBMFYSA-N 2 2 271.364 1.099 10 30 CDEELP N#Cc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)o1 ZINC000600769014 349878320 /nfs/dbraw/zinc/87/83/20/349878320.db2.gz JAYZQHWLVRKKFW-UHFFFAOYSA-N 2 2 270.336 1.816 10 30 CDEELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598705423 343877227 /nfs/dbraw/zinc/87/72/27/343877227.db2.gz JIRXSAOEHAMTPM-CHWSQXEVSA-N 2 2 267.417 1.750 10 30 CDEELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598705423 343877229 /nfs/dbraw/zinc/87/72/29/343877229.db2.gz JIRXSAOEHAMTPM-CHWSQXEVSA-N 2 2 267.417 1.750 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123569669 375845558 /nfs/dbraw/zinc/84/55/58/375845558.db2.gz CGHAONRUJDYJSN-GJZGRUSLSA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123569669 375845563 /nfs/dbraw/zinc/84/55/63/375845563.db2.gz CGHAONRUJDYJSN-GJZGRUSLSA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123569669 375845565 /nfs/dbraw/zinc/84/55/65/375845565.db2.gz CGHAONRUJDYJSN-GJZGRUSLSA-N 2 2 279.428 1.602 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123569669 375845572 /nfs/dbraw/zinc/84/55/72/375845572.db2.gz CGHAONRUJDYJSN-GJZGRUSLSA-N 2 2 279.428 1.602 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001663067313 1172634090 /nfs/dbraw/zinc/63/40/90/1172634090.db2.gz SDXASRBVKUYMAB-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001663067313 1172634097 /nfs/dbraw/zinc/63/40/97/1172634097.db2.gz SDXASRBVKUYMAB-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001663067313 1172634102 /nfs/dbraw/zinc/63/41/02/1172634102.db2.gz SDXASRBVKUYMAB-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001663067313 1172634105 /nfs/dbraw/zinc/63/41/05/1172634105.db2.gz SDXASRBVKUYMAB-HNNXBMFYSA-N 2 2 288.395 1.336 10 30 CDEELP C=CCN1CC[C@@H]([NH+]2CCC(c3c[nH+]c[nH]3)CC2)C1=O ZINC000366890444 392077644 /nfs/dbraw/zinc/07/76/44/392077644.db2.gz DLLDYHPQTJBHPE-CQSZACIVSA-N 2 2 274.368 1.376 10 30 CDEELP C=CCN1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000366890444 392077646 /nfs/dbraw/zinc/07/76/46/392077646.db2.gz DLLDYHPQTJBHPE-CQSZACIVSA-N 2 2 274.368 1.376 10 30 CDEELP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480178 413155971 /nfs/dbraw/zinc/15/59/71/413155971.db2.gz SIFQCHBRVLSVLO-LSDHHAIUSA-N 2 2 268.401 1.110 10 30 CDEELP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480178 413155975 /nfs/dbraw/zinc/15/59/75/413155975.db2.gz SIFQCHBRVLSVLO-LSDHHAIUSA-N 2 2 268.401 1.110 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306062 175355956 /nfs/dbraw/zinc/35/59/56/175355956.db2.gz PCFBFBZGDMLLNY-OAHLLOKOSA-N 2 2 280.416 1.244 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[NH+](CCOC)CCOC ZINC000045318597 175358827 /nfs/dbraw/zinc/35/88/27/175358827.db2.gz PRPGONMXRZURFB-CQSZACIVSA-N 2 2 271.405 1.253 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367602958 267102972 /nfs/dbraw/zinc/10/29/72/267102972.db2.gz WZYOXSFECKWKRF-MGPQQGTHSA-N 2 2 286.441 1.050 10 30 CDEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367602958 267102975 /nfs/dbraw/zinc/10/29/75/267102975.db2.gz WZYOXSFECKWKRF-MGPQQGTHSA-N 2 2 286.441 1.050 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001667652690 1173305734 /nfs/dbraw/zinc/30/57/34/1173305734.db2.gz OVIIVXWPCLDDAM-UHFFFAOYSA-N 2 2 278.400 1.654 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001667652690 1173305741 /nfs/dbraw/zinc/30/57/41/1173305741.db2.gz OVIIVXWPCLDDAM-UHFFFAOYSA-N 2 2 278.400 1.654 10 30 CDEELP C=CCSCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422946896 330161971 /nfs/dbraw/zinc/16/19/71/330161971.db2.gz PQZROEPUBMFWGT-QWHCGFSZSA-N 2 2 256.415 1.262 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)nn1 ZINC000424298689 330336619 /nfs/dbraw/zinc/33/66/19/330336619.db2.gz SZDQABIOMBBMRB-ZNMIVQPWSA-N 2 2 275.400 1.427 10 30 CDEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)nn1 ZINC000424298689 330336620 /nfs/dbraw/zinc/33/66/20/330336620.db2.gz SZDQABIOMBBMRB-ZNMIVQPWSA-N 2 2 275.400 1.427 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000685006219 482698682 /nfs/dbraw/zinc/69/86/82/482698682.db2.gz ALYRJIDBBPTEQU-OAHLLOKOSA-N 2 2 261.369 1.449 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001483603508 1160954605 /nfs/dbraw/zinc/95/46/05/1160954605.db2.gz ZIIQCVSPEHVHHO-OAHLLOKOSA-N 2 2 290.411 1.711 10 30 CDEELP CCC[NH2+][C@](C#N)(CN(C)CC[NH+](C)C)C1CC1 ZINC000069083833 520100445 /nfs/dbraw/zinc/10/04/45/520100445.db2.gz HFIIYCWZUVUDMU-CQSZACIVSA-N 2 2 252.406 1.152 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001734008756 1183612753 /nfs/dbraw/zinc/61/27/53/1183612753.db2.gz XVMZDIPXWJGJFR-QWHCGFSZSA-N 2 2 264.373 1.332 10 30 CDEELP C[N@H+](Cc1cccc(C#CCCO)c1)C1CC[NH+](C)CC1 ZINC000049616555 523291445 /nfs/dbraw/zinc/29/14/45/523291445.db2.gz JISZKWFXJCSOSI-UHFFFAOYSA-N 2 2 286.419 1.947 10 30 CDEELP C[N@@H+](Cc1cccc(C#CCCO)c1)C1CC[NH+](C)CC1 ZINC000049616555 523291453 /nfs/dbraw/zinc/29/14/53/523291453.db2.gz JISZKWFXJCSOSI-UHFFFAOYSA-N 2 2 286.419 1.947 10 30 CDEELP [NH3+]CC#Cc1ccccc1OCCCn1cc[nH+]c1 ZINC000049328929 527155275 /nfs/dbraw/zinc/15/52/75/527155275.db2.gz UGZZHLDPFKRNAX-UHFFFAOYSA-N 2 2 255.321 1.662 10 30 CDEELP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939541539 613351193 /nfs/dbraw/zinc/35/11/93/613351193.db2.gz OJCZNPNKACDHQO-OLZOCXBDSA-N 2 2 290.411 1.700 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC)o1 ZINC000894638474 619000293 /nfs/dbraw/zinc/00/02/93/619000293.db2.gz BQDXDEYJOGUFTG-UHFFFAOYSA-N 2 2 250.342 1.723 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC)o1 ZINC000894638474 619000295 /nfs/dbraw/zinc/00/02/95/619000295.db2.gz BQDXDEYJOGUFTG-UHFFFAOYSA-N 2 2 250.342 1.723 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670697073 1158696212 /nfs/dbraw/zinc/69/62/12/1158696212.db2.gz UTPQBMJNOSZLPX-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670697073 1158696217 /nfs/dbraw/zinc/69/62/17/1158696217.db2.gz UTPQBMJNOSZLPX-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670697073 1158696222 /nfs/dbraw/zinc/69/62/22/1158696222.db2.gz UTPQBMJNOSZLPX-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670697073 1158696229 /nfs/dbraw/zinc/69/62/29/1158696229.db2.gz UTPQBMJNOSZLPX-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001671308679 1158729359 /nfs/dbraw/zinc/72/93/59/1158729359.db2.gz LNFIPAGBNHXWDT-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001671308679 1158729363 /nfs/dbraw/zinc/72/93/63/1158729363.db2.gz LNFIPAGBNHXWDT-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001567017692 1168511667 /nfs/dbraw/zinc/51/16/67/1168511667.db2.gz CBKCLRVFPJEYBL-ZDUSSCGKSA-N 2 2 290.411 1.432 10 30 CDEELP C#CCC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001568121105 1169140388 /nfs/dbraw/zinc/14/03/88/1169140388.db2.gz NIIQLUWVXXUNEU-UHFFFAOYSA-N 2 2 296.374 1.382 10 30 CDEELP C#CCC[NH2+]C[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568171569 1169160800 /nfs/dbraw/zinc/16/08/00/1169160800.db2.gz DAJZXIAFEXYEKL-ZDUSSCGKSA-N 2 2 298.390 1.622 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001661359123 1172376366 /nfs/dbraw/zinc/37/63/66/1172376366.db2.gz LCUSRYDKWBCIQR-LBPRGKRZSA-N 2 2 262.357 1.109 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001690361626 1175450134 /nfs/dbraw/zinc/45/01/34/1175450134.db2.gz AXEIEXTTZFZCAL-BETUJISGSA-N 2 2 276.384 1.166 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498700 1175483049 /nfs/dbraw/zinc/48/30/49/1175483049.db2.gz KYEPVGFTNLBDII-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690498700 1175483052 /nfs/dbraw/zinc/48/30/52/1175483052.db2.gz KYEPVGFTNLBDII-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498700 1175483056 /nfs/dbraw/zinc/48/30/56/1175483056.db2.gz KYEPVGFTNLBDII-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690498700 1175483060 /nfs/dbraw/zinc/48/30/60/1175483060.db2.gz KYEPVGFTNLBDII-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001698712752 1175901358 /nfs/dbraw/zinc/90/13/58/1175901358.db2.gz AGOICGIJZXLRQR-JOCQHMNTSA-N 2 2 276.384 1.545 10 30 CDEELP CC#CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001698719340 1175903102 /nfs/dbraw/zinc/90/31/02/1175903102.db2.gz BEUUDQIXLFMXDJ-UHFFFAOYSA-N 2 2 296.374 1.382 10 30 CDEELP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001698945553 1175991779 /nfs/dbraw/zinc/99/17/79/1175991779.db2.gz LMRUJPUQNPBEOE-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001698945553 1175991782 /nfs/dbraw/zinc/99/17/82/1175991782.db2.gz LMRUJPUQNPBEOE-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]C/C=C\CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699318320 1176219917 /nfs/dbraw/zinc/21/99/17/1176219917.db2.gz ZIFQTTUTWRQEAE-ZFDPJTLLSA-N 2 2 262.357 1.282 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001700139752 1176766621 /nfs/dbraw/zinc/76/66/21/1176766621.db2.gz STMWKWUGUNLDHK-CQSZACIVSA-N 2 2 288.395 1.486 10 30 CDEELP C#CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700442855 1176931279 /nfs/dbraw/zinc/93/12/79/1176931279.db2.gz LMROXIQDPJPAKU-UHFFFAOYSA-N 2 2 298.390 1.884 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001713176374 1178414208 /nfs/dbraw/zinc/41/42/08/1178414208.db2.gz JEVCSTMOWPZEGS-JOCQHMNTSA-N 2 2 262.357 1.086 10 30 CDEELP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713383585 1178529126 /nfs/dbraw/zinc/52/91/26/1178529126.db2.gz ZRBXDOGNRVGNQY-UONOGXRCSA-N 2 2 288.395 1.301 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001713456341 1178574434 /nfs/dbraw/zinc/57/44/34/1178574434.db2.gz KYBDKWDVHCMZCN-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001713456341 1178574439 /nfs/dbraw/zinc/57/44/39/1178574439.db2.gz KYBDKWDVHCMZCN-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001713456341 1178574443 /nfs/dbraw/zinc/57/44/43/1178574443.db2.gz KYBDKWDVHCMZCN-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001713456341 1178574445 /nfs/dbraw/zinc/57/44/45/1178574445.db2.gz KYBDKWDVHCMZCN-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001713762118 1178743237 /nfs/dbraw/zinc/74/32/37/1178743237.db2.gz QPFXWBBDIDZLHS-HNNXBMFYSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001713762118 1178743241 /nfs/dbraw/zinc/74/32/41/1178743241.db2.gz QPFXWBBDIDZLHS-HNNXBMFYSA-N 2 2 290.411 1.630 10 30 CDEELP C=CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001713775064 1178747217 /nfs/dbraw/zinc/74/72/17/1178747217.db2.gz CTMLYEIGJJQPLQ-UHFFFAOYSA-N 2 2 276.384 1.417 10 30 CDEELP C=CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001713775064 1178747222 /nfs/dbraw/zinc/74/72/22/1178747222.db2.gz CTMLYEIGJJQPLQ-UHFFFAOYSA-N 2 2 276.384 1.417 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004186 1178922679 /nfs/dbraw/zinc/92/26/79/1178922679.db2.gz PPYSZUXXHPFQJD-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004186 1178922683 /nfs/dbraw/zinc/92/26/83/1178922683.db2.gz PPYSZUXXHPFQJD-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004186 1178922686 /nfs/dbraw/zinc/92/26/86/1178922686.db2.gz PPYSZUXXHPFQJD-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004186 1178922691 /nfs/dbraw/zinc/92/26/91/1178922691.db2.gz PPYSZUXXHPFQJD-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714108087 1178975948 /nfs/dbraw/zinc/97/59/48/1178975948.db2.gz VXLGWVGRTGJBMV-YNEHKIRRSA-N 2 2 276.384 1.194 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001714145618 1178991395 /nfs/dbraw/zinc/99/13/95/1178991395.db2.gz MQQGMKYNNOTVGR-ZDUSSCGKSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC001714145618 1178991399 /nfs/dbraw/zinc/99/13/99/1178991399.db2.gz MQQGMKYNNOTVGR-ZDUSSCGKSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001714616895 1179267220 /nfs/dbraw/zinc/26/72/20/1179267220.db2.gz AHFVDHAJUGSMRQ-CQSZACIVSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001714616895 1179267227 /nfs/dbraw/zinc/26/72/27/1179267227.db2.gz AHFVDHAJUGSMRQ-CQSZACIVSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714881096 1179435917 /nfs/dbraw/zinc/43/59/17/1179435917.db2.gz VKCFMYZGTMBDJT-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714881096 1179435922 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FZOHUATWGKAFEQ-UHFFFAOYSA-N 2 2 277.368 1.257 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266744454 895955284 /nfs/dbraw/zinc/95/52/84/895955284.db2.gz RHSGFXFPQBXKOK-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C#CCC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266768121 896008698 /nfs/dbraw/zinc/00/86/98/896008698.db2.gz YYWOMYWTCMEDJV-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266768121 896008714 /nfs/dbraw/zinc/00/87/14/896008714.db2.gz YYWOMYWTCMEDJV-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001266976841 896479556 /nfs/dbraw/zinc/47/95/56/896479556.db2.gz COCHDMIKWNHWHJ-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001266976841 896479563 /nfs/dbraw/zinc/47/95/63/896479563.db2.gz COCHDMIKWNHWHJ-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP CC#CC[NH2+]CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001267372725 897747366 /nfs/dbraw/zinc/74/73/66/897747366.db2.gz CSZVIECOCPMCEQ-UHFFFAOYSA-N 2 2 284.363 1.328 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001268292061 901763352 /nfs/dbraw/zinc/76/33/52/901763352.db2.gz PEGRVIGRIVZDIK-KGLIPLIRSA-N 2 2 288.395 1.158 10 30 CDEELP C#CC[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001269355628 903728781 /nfs/dbraw/zinc/72/87/81/903728781.db2.gz IMTQNXFLFCXCBI-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001269355628 903728786 /nfs/dbraw/zinc/72/87/86/903728786.db2.gz IMTQNXFLFCXCBI-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482844932 908422604 /nfs/dbraw/zinc/42/26/04/908422604.db2.gz ITAWAMDNTNCLAS-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483168558 909901820 /nfs/dbraw/zinc/90/18/20/909901820.db2.gz XSTZZDCWSNGRQB-MGPQQGTHSA-N 2 2 290.411 1.584 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483237772 910631182 /nfs/dbraw/zinc/63/11/82/910631182.db2.gz WSVQFPPRFFGZSS-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483237772 910631194 /nfs/dbraw/zinc/63/11/94/910631194.db2.gz WSVQFPPRFFGZSS-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001568153210 1169149502 /nfs/dbraw/zinc/14/95/02/1169149502.db2.gz LJZGUUQLCRSVJZ-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH+]1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001483873897 915161431 /nfs/dbraw/zinc/16/14/31/915161431.db2.gz ZKTSOWQCBFOUBM-UHFFFAOYSA-N 2 2 293.455 1.970 10 30 CDEELP C=CC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001483873897 915161440 /nfs/dbraw/zinc/16/14/40/915161440.db2.gz ZKTSOWQCBFOUBM-UHFFFAOYSA-N 2 2 293.455 1.970 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001484664573 916014330 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C=CC[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001491115061 936859694 /nfs/dbraw/zinc/85/96/94/936859694.db2.gz XNUQFABFHMYETJ-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001491115061 936859696 /nfs/dbraw/zinc/85/96/96/936859696.db2.gz XNUQFABFHMYETJ-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP CC1(C)[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676094 932925589 /nfs/dbraw/zinc/92/55/89/932925589.db2.gz YRARBACVFPVGNR-QLFBSQMISA-N 2 2 270.380 1.819 10 30 CDEELP C#CC[N@@H+](C[C@@H](C)OC)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001119266590 937704337 /nfs/dbraw/zinc/70/43/37/937704337.db2.gz REEMTHFVHACUPR-HUUCEWRRSA-N 2 2 282.428 1.456 10 30 CDEELP C#CC[N@H+](C[C@@H](C)OC)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001119266590 937704338 /nfs/dbraw/zinc/70/43/38/937704338.db2.gz REEMTHFVHACUPR-HUUCEWRRSA-N 2 2 282.428 1.456 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001281941366 942634844 /nfs/dbraw/zinc/63/48/44/942634844.db2.gz ZHIADHJJBOKQQQ-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001281941366 942634848 /nfs/dbraw/zinc/63/48/48/942634848.db2.gz ZHIADHJJBOKQQQ-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001281941366 942634850 /nfs/dbraw/zinc/63/48/50/942634850.db2.gz ZHIADHJJBOKQQQ-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001281941366 942634853 /nfs/dbraw/zinc/63/48/53/942634853.db2.gz ZHIADHJJBOKQQQ-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001282063942 942652445 /nfs/dbraw/zinc/65/24/45/942652445.db2.gz LNKLSDBAYOFMCQ-HSBZDZAISA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001282063942 942652450 /nfs/dbraw/zinc/65/24/50/942652450.db2.gz LNKLSDBAYOFMCQ-HSBZDZAISA-N 2 2 288.395 1.096 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001282465231 942715977 /nfs/dbraw/zinc/71/59/77/942715977.db2.gz QHHWWDONBHBONI-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001282465231 942715983 /nfs/dbraw/zinc/71/59/83/942715983.db2.gz QHHWWDONBHBONI-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001282465231 942715988 /nfs/dbraw/zinc/71/59/88/942715988.db2.gz QHHWWDONBHBONI-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001282465231 942715991 /nfs/dbraw/zinc/71/59/91/942715991.db2.gz QHHWWDONBHBONI-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001265805180 944515017 /nfs/dbraw/zinc/51/50/17/944515017.db2.gz ZVJDFZMXPXAQML-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001278015489 944584163 /nfs/dbraw/zinc/58/41/63/944584163.db2.gz HHEAZENTCOJDAI-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266155565 944720277 /nfs/dbraw/zinc/72/02/77/944720277.db2.gz PEPFOLZXJSBTFK-NSHDSACASA-N 2 2 272.352 1.847 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001480553550 971780636 /nfs/dbraw/zinc/78/06/36/971780636.db2.gz STTWDLGTJQIAHT-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001480553550 971780639 /nfs/dbraw/zinc/78/06/39/971780639.db2.gz STTWDLGTJQIAHT-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329070363 955666410 /nfs/dbraw/zinc/66/64/10/955666410.db2.gz QUKOSIHQKLGVQZ-MNOVXSKESA-N 2 2 270.336 1.293 10 30 CDEELP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001330074180 956265669 /nfs/dbraw/zinc/26/56/69/956265669.db2.gz KXQAEQUZGDHQQO-ZDUSSCGKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001494498776 972242911 /nfs/dbraw/zinc/24/29/11/972242911.db2.gz NPEPPYREHHWAGJ-LBPRGKRZSA-N 2 2 276.384 1.347 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317092721 957265459 /nfs/dbraw/zinc/26/54/59/957265459.db2.gz HKZJGOZNZUILAI-JOCQHMNTSA-N 2 2 262.357 1.086 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001424828728 957373605 /nfs/dbraw/zinc/37/36/05/957373605.db2.gz BVODKEOYJISUBU-RYUDHWBXSA-N 2 2 298.818 1.588 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001317253691 957381021 /nfs/dbraw/zinc/38/10/21/957381021.db2.gz PCZZXNMKYVFZIM-LLVKDONJSA-N 2 2 258.325 1.228 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317305859 957415258 /nfs/dbraw/zinc/41/52/58/957415258.db2.gz QMSJQVMBSMRHNM-LBPRGKRZSA-N 2 2 262.357 1.109 10 30 CDEELP C=CCC[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001317413153 957460040 /nfs/dbraw/zinc/46/00/40/957460040.db2.gz SVNSDXIOXWRSPE-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317533452 957533773 /nfs/dbraw/zinc/53/37/73/957533773.db2.gz VPXHRJFLHCXIIJ-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317533452 957533779 /nfs/dbraw/zinc/53/37/79/957533779.db2.gz VPXHRJFLHCXIIJ-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)C[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001495180841 972434360 /nfs/dbraw/zinc/43/43/60/972434360.db2.gz PTGUKWNHUCMNTK-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=C(C)C[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001495180841 972434366 /nfs/dbraw/zinc/43/43/66/972434366.db2.gz PTGUKWNHUCMNTK-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=CCC[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001322792761 960323405 /nfs/dbraw/zinc/32/34/05/960323405.db2.gz LMRUOXZPTKVMOA-UHFFFAOYSA-N 2 2 278.400 1.702 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001443655620 965549832 /nfs/dbraw/zinc/54/98/32/965549832.db2.gz YWAXZVPYYWZIMK-BETUJISGSA-N 2 2 299.846 1.660 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001443655620 965549839 /nfs/dbraw/zinc/54/98/39/965549839.db2.gz YWAXZVPYYWZIMK-BETUJISGSA-N 2 2 299.846 1.660 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001495965384 972723848 /nfs/dbraw/zinc/72/38/48/972723848.db2.gz KFMIEIFOZOFEPV-UHFFFAOYSA-N 2 2 288.395 1.315 10 30 CDEELP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001496055470 972778649 /nfs/dbraw/zinc/77/86/49/972778649.db2.gz MOHRLEJRVGERQE-GFCCVEGCSA-N 2 2 284.363 1.326 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001496357630 972899092 /nfs/dbraw/zinc/89/90/92/972899092.db2.gz MDFIQJRUHLKUIF-JSGCOSHPSA-N 2 2 276.384 1.355 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001496626253 972998755 /nfs/dbraw/zinc/99/87/55/972998755.db2.gz BTIWJHRILLNLFV-CQSZACIVSA-N 2 2 276.384 1.014 10 30 CDEELP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001498057502 973652241 /nfs/dbraw/zinc/65/22/41/973652241.db2.gz UXVOIDWVFJPTTI-UONOGXRCSA-N 2 2 278.400 1.751 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001674154479 1173920666 /nfs/dbraw/zinc/92/06/66/1173920666.db2.gz LIRMYPNANJHXJW-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001676079081 1174180209 /nfs/dbraw/zinc/18/02/09/1174180209.db2.gz IWQIPCPXONVTAP-UHFFFAOYSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001676079081 1174180212 /nfs/dbraw/zinc/18/02/12/1174180212.db2.gz IWQIPCPXONVTAP-UHFFFAOYSA-N 2 2 290.411 1.462 10 30 CDEELP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C[C@H](C)O1 ZINC000600719306 342244681 /nfs/dbraw/zinc/24/46/81/342244681.db2.gz UWKZDTCHIGPNFM-ZNMIVQPWSA-N 2 2 295.427 1.130 10 30 CDEELP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C[C@H](C)O1 ZINC000600719306 342244682 /nfs/dbraw/zinc/24/46/82/342244682.db2.gz UWKZDTCHIGPNFM-ZNMIVQPWSA-N 2 2 295.427 1.130 10 30 CDEELP C=CCC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088394 342301033 /nfs/dbraw/zinc/30/10/33/342301033.db2.gz WHPRESVIKSDQTM-INIZCTEOSA-N 2 2 296.455 1.890 10 30 CDEELP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)C[NH3+] ZINC000595890051 343181617 /nfs/dbraw/zinc/18/16/17/343181617.db2.gz BCZWYBXITSDWEY-LLVKDONJSA-N 2 2 287.285 1.328 10 30 CDEELP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)C[NH3+] ZINC000595890051 343181618 /nfs/dbraw/zinc/18/16/18/343181618.db2.gz BCZWYBXITSDWEY-LLVKDONJSA-N 2 2 287.285 1.328 10 30 CDEELP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCC[NH2+]1 ZINC000422988103 358066610 /nfs/dbraw/zinc/06/66/10/358066610.db2.gz IDPYFEINABBWQX-SWLSCSKDSA-N 2 2 259.353 1.667 10 30 CDEELP COCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000297666408 200256982 /nfs/dbraw/zinc/25/69/82/200256982.db2.gz JWAQLQAPCFYZMH-UHFFFAOYSA-N 2 2 298.390 1.983 10 30 CDEELP COCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000297666408 200256984 /nfs/dbraw/zinc/25/69/84/200256984.db2.gz JWAQLQAPCFYZMH-UHFFFAOYSA-N 2 2 298.390 1.983 10 30 CDEELP C[NH+]1CCN(CCCC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000581853431 364047688 /nfs/dbraw/zinc/04/76/88/364047688.db2.gz CTLWGEGQWJTQKS-UHFFFAOYSA-N 2 2 293.440 1.132 10 30 CDEELP C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638873640 375143458 /nfs/dbraw/zinc/14/34/58/375143458.db2.gz COIPDRBLWLKGLV-GFCCVEGCSA-N 2 2 255.406 1.374 10 30 CDEELP C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631258404 376044958 /nfs/dbraw/zinc/04/49/58/376044958.db2.gz RSWSRCWIIGNECW-AWEZNQCLSA-N 2 2 291.439 1.627 10 30 CDEELP C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631258404 376044964 /nfs/dbraw/zinc/04/49/64/376044964.db2.gz RSWSRCWIIGNECW-AWEZNQCLSA-N 2 2 291.439 1.627 10 30 CDEELP C=CCCn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])nn1 ZINC000655938300 412956512 /nfs/dbraw/zinc/95/65/12/412956512.db2.gz RJOLHCGKIAITLA-UHFFFAOYSA-N 2 2 251.378 1.271 10 30 CDEELP C=CCCn1cc(C[N@H+](C)CC(C)(C)C[NH3+])nn1 ZINC000655938300 412956518 /nfs/dbraw/zinc/95/65/18/412956518.db2.gz RJOLHCGKIAITLA-UHFFFAOYSA-N 2 2 251.378 1.271 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000176954212 390378133 /nfs/dbraw/zinc/37/81/33/390378133.db2.gz UKYDPQCRHXYEPW-GFCCVEGCSA-N 2 2 279.409 1.556 10 30 CDEELP C=CCCC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361115810 391683444 /nfs/dbraw/zinc/68/34/44/391683444.db2.gz AUBSXFUXCZFPBQ-UHFFFAOYSA-N 2 2 268.401 1.960 10 30 CDEELP C=CC[C@]1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CCC[NH2+]1 ZINC000662678248 413296809 /nfs/dbraw/zinc/29/68/09/413296809.db2.gz CZPVGKLCAVHWLR-MRXNPFEDSA-N 2 2 288.395 1.462 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2sccc2C#CCO)CC1 ZINC000043679705 175090696 /nfs/dbraw/zinc/09/06/96/175090696.db2.gz BYFFFEFXDGSXBK-UHFFFAOYSA-N 2 2 278.421 1.618 10 30 CDEELP CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683760 175091604 /nfs/dbraw/zinc/09/16/04/175091604.db2.gz GDKBBIGFPOYSLQ-GFCCVEGCSA-N 2 2 264.394 1.669 10 30 CDEELP CC[C@@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683760 175091606 /nfs/dbraw/zinc/09/16/06/175091606.db2.gz GDKBBIGFPOYSLQ-GFCCVEGCSA-N 2 2 264.394 1.669 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCN1CC[NH+](CCC)CC1 ZINC000045178749 175323818 /nfs/dbraw/zinc/32/38/18/175323818.db2.gz SHMJTGODHINPEY-HNNXBMFYSA-N 2 2 266.433 1.686 10 30 CDEELP C[N@H+](CCCC[C@@](C)([NH3+])C#N)C1CC[NH+](C)CC1 ZINC000045307894 175356725 /nfs/dbraw/zinc/35/67/25/175356725.db2.gz CIWWFMGHJFKXRY-CQSZACIVSA-N 3 2 252.406 1.424 10 30 CDEELP C[N@@H+](CCCC[C@@](C)([NH3+])C#N)C1CC[NH+](C)CC1 ZINC000045307894 175356726 /nfs/dbraw/zinc/35/67/26/175356726.db2.gz CIWWFMGHJFKXRY-CQSZACIVSA-N 3 2 252.406 1.424 10 30 CDEELP C#CCOc1c(C[NH2+]CCC[NH+](C)C)cccc1OC ZINC000045946455 175387793 /nfs/dbraw/zinc/38/77/93/175387793.db2.gz IDUPPBWGXYBHPX-UHFFFAOYSA-N 2 2 276.380 1.749 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001666932259 1173208763 /nfs/dbraw/zinc/20/87/63/1173208763.db2.gz BQIPASPKDCEVJH-ZDUSSCGKSA-N 2 2 278.400 1.549 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001673475368 1173860418 /nfs/dbraw/zinc/86/04/18/1173860418.db2.gz ZWMGZCCPHHYBHB-AWEZNQCLSA-N 2 2 290.411 1.392 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001673475368 1173860423 /nfs/dbraw/zinc/86/04/23/1173860423.db2.gz ZWMGZCCPHHYBHB-AWEZNQCLSA-N 2 2 290.411 1.392 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001673475368 1173860432 /nfs/dbraw/zinc/86/04/32/1173860432.db2.gz ZWMGZCCPHHYBHB-AWEZNQCLSA-N 2 2 290.411 1.392 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001673475368 1173860438 /nfs/dbraw/zinc/86/04/38/1173860438.db2.gz ZWMGZCCPHHYBHB-AWEZNQCLSA-N 2 2 290.411 1.392 10 30 CDEELP COc1ccccc1[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+](C)C ZINC000262640943 330024154 /nfs/dbraw/zinc/02/41/54/330024154.db2.gz HTDLLWSJTBJAJN-AAEUAGOBSA-N 2 2 276.384 1.235 10 30 CDEELP CC[C@@H]1C[N@@H+](CCNC(=[NH2+])N2CCC[C@H](C)C2)CCO1 ZINC000262830736 330034751 /nfs/dbraw/zinc/03/47/51/330034751.db2.gz ZTMGPRZXMGNJMT-UONOGXRCSA-N 2 2 282.432 1.144 10 30 CDEELP CC[C@@H]1C[N@H+](CCNC(=[NH2+])N2CCC[C@H](C)C2)CCO1 ZINC000262830736 330034749 /nfs/dbraw/zinc/03/47/49/330034749.db2.gz ZTMGPRZXMGNJMT-UONOGXRCSA-N 2 2 282.432 1.144 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001725511197 1159248559 /nfs/dbraw/zinc/24/85/59/1159248559.db2.gz LDEXMNGNFCTTFG-ZIAGYGMSSA-N 2 2 276.384 1.294 10 30 CDEELP CC#CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267331856 1159274909 /nfs/dbraw/zinc/27/49/09/1159274909.db2.gz UNRMXUSIYQIGBG-HNNXBMFYSA-N 2 2 277.412 1.075 10 30 CDEELP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267331856 1159274914 /nfs/dbraw/zinc/27/49/14/1159274914.db2.gz UNRMXUSIYQIGBG-HNNXBMFYSA-N 2 2 277.412 1.075 10 30 CDEELP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001267331856 1159274919 /nfs/dbraw/zinc/27/49/19/1159274919.db2.gz UNRMXUSIYQIGBG-HNNXBMFYSA-N 2 2 277.412 1.075 10 30 CDEELP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001267331856 1159274924 /nfs/dbraw/zinc/27/49/24/1159274924.db2.gz UNRMXUSIYQIGBG-HNNXBMFYSA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001700698261 1160718595 /nfs/dbraw/zinc/71/85/95/1160718595.db2.gz MKQNXQWBZDLYQT-UHFFFAOYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001700698261 1160718601 /nfs/dbraw/zinc/71/86/01/1160718601.db2.gz MKQNXQWBZDLYQT-UHFFFAOYSA-N 2 2 288.395 1.219 10 30 CDEELP C[NH+](C)CCN1CC[NH+]([C@H]2CCCCC[C@@H]2C#N)CC1 ZINC000061644269 521766413 /nfs/dbraw/zinc/76/64/13/521766413.db2.gz GXIBOPRIJUEROP-CVEARBPZSA-N 2 2 278.444 1.638 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689909288 1175301751 /nfs/dbraw/zinc/30/17/51/1175301751.db2.gz NCZYUXJRPCDGRM-STQMWFEESA-N 2 2 276.384 1.497 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900562145 623233645 /nfs/dbraw/zinc/23/36/45/623233645.db2.gz JTPBIDMJPPDLRP-AWEZNQCLSA-N 2 2 276.384 1.555 10 30 CDEELP Cc1c[nH+]ccc1N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000863157481 678339577 /nfs/dbraw/zinc/33/95/77/678339577.db2.gz NEAIIGIDXXOVPV-UHFFFAOYSA-N 2 2 284.363 1.686 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001671308777 1158776320 /nfs/dbraw/zinc/77/63/20/1158776320.db2.gz NMFVTCOBGGNYOF-BFHYXJOUSA-N 2 2 288.395 1.670 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001671308777 1158776324 /nfs/dbraw/zinc/77/63/24/1158776324.db2.gz NMFVTCOBGGNYOF-BFHYXJOUSA-N 2 2 288.395 1.670 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691174807 1158944075 /nfs/dbraw/zinc/94/40/75/1158944075.db2.gz IFOMLIZTNXDLCL-JOCQHMNTSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001567498382 1168814503 /nfs/dbraw/zinc/81/45/03/1168814503.db2.gz GHXCWRILHRGOCF-UHFFFAOYSA-N 2 2 290.411 1.386 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568648693 1169414232 /nfs/dbraw/zinc/41/42/32/1169414232.db2.gz FIZFWIVYYOEXKJ-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569080927 1169634829 /nfs/dbraw/zinc/63/48/29/1169634829.db2.gz QPHJPMVUEIEVPL-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001569562731 1169924771 /nfs/dbraw/zinc/92/47/71/1169924771.db2.gz XJPCPYUYTXESOP-ZDUSSCGKSA-N 2 2 290.411 1.844 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001662010594 1172477967 /nfs/dbraw/zinc/47/79/67/1172477967.db2.gz LQEAZMDOYITPJV-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001662010594 1172477969 /nfs/dbraw/zinc/47/79/69/1172477969.db2.gz LQEAZMDOYITPJV-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671916634 1173722275 /nfs/dbraw/zinc/72/22/75/1173722275.db2.gz PBTVBANOZZLHJG-MRXNPFEDSA-N 2 2 288.395 1.112 10 30 CDEELP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671916634 1173722280 /nfs/dbraw/zinc/72/22/80/1173722280.db2.gz PBTVBANOZZLHJG-MRXNPFEDSA-N 2 2 288.395 1.112 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001674154479 1173920662 /nfs/dbraw/zinc/92/06/62/1173920662.db2.gz LIRMYPNANJHXJW-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001692222903 1175705419 /nfs/dbraw/zinc/70/54/19/1175705419.db2.gz QOVLJXRUBGXANR-ZFWWWQNUSA-N 2 2 279.428 1.626 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001692222903 1175705422 /nfs/dbraw/zinc/70/54/22/1175705422.db2.gz QOVLJXRUBGXANR-ZFWWWQNUSA-N 2 2 279.428 1.626 10 30 CDEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001698711625 1175901459 /nfs/dbraw/zinc/90/14/59/1175901459.db2.gz LZACXNGSFHFAFI-SHTZXODSSA-N 2 2 290.411 1.866 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001699367884 1176321800 /nfs/dbraw/zinc/32/18/00/1176321800.db2.gz UXVOIDWVFJPTTI-KGLIPLIRSA-N 2 2 278.400 1.751 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001699610175 1176496948 /nfs/dbraw/zinc/49/69/48/1176496948.db2.gz PQJDZJMVMDNHCQ-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001700732347 1177098981 /nfs/dbraw/zinc/09/89/81/1177098981.db2.gz XWPGNFFOGWOURR-CQSZACIVSA-N 2 2 276.384 1.355 10 30 CDEELP C#CC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001713557591 1178646177 /nfs/dbraw/zinc/64/61/77/1178646177.db2.gz TUDWIOFNPBJMIQ-UHFFFAOYSA-N 2 2 296.374 1.470 10 30 CDEELP C#CC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001713557591 1178646180 /nfs/dbraw/zinc/64/61/80/1178646180.db2.gz TUDWIOFNPBJMIQ-UHFFFAOYSA-N 2 2 296.374 1.470 10 30 CDEELP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001714420971 1179131797 /nfs/dbraw/zinc/13/17/97/1179131797.db2.gz NLASSVMOZCUAEL-UONOGXRCSA-N 2 2 276.384 1.476 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001714496284 1179171157 /nfs/dbraw/zinc/17/11/57/1179171157.db2.gz NPRRGIVEFLXDAY-UHFFFAOYSA-N 2 2 296.374 1.828 10 30 CDEELP C=C(C)C[NH+]1CC(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001714955612 1179475865 /nfs/dbraw/zinc/47/58/65/1179475865.db2.gz JRLGSVSQQUOHDC-UHFFFAOYSA-N 2 2 253.390 1.095 10 30 CDEELP C=C(C)C[NH+]1CC(NC(=O)CC[N@H+](C)CCC)C1 ZINC001714955612 1179475870 /nfs/dbraw/zinc/47/58/70/1179475870.db2.gz JRLGSVSQQUOHDC-UHFFFAOYSA-N 2 2 253.390 1.095 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001716685922 1180369481 /nfs/dbraw/zinc/36/94/81/1180369481.db2.gz QXUBEMYUZAVUQD-ZDUSSCGKSA-N 2 2 288.395 1.260 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001716762570 1180405031 /nfs/dbraw/zinc/40/50/31/1180405031.db2.gz AEQMXQNQILVFQW-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001717338844 1180622573 /nfs/dbraw/zinc/62/25/73/1180622573.db2.gz BTPLMEDJWFPKMG-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001717338844 1180622575 /nfs/dbraw/zinc/62/25/75/1180622575.db2.gz BTPLMEDJWFPKMG-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001717888180 1180914499 /nfs/dbraw/zinc/91/44/99/1180914499.db2.gz ZKXLAEBHVBUQMV-GJZGRUSLSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001723523620 1181582308 /nfs/dbraw/zinc/58/23/08/1181582308.db2.gz LDTGVTAHBCJJDF-VXGBXAGGSA-N 2 2 274.368 1.328 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001723523620 1181582311 /nfs/dbraw/zinc/58/23/11/1181582311.db2.gz LDTGVTAHBCJJDF-VXGBXAGGSA-N 2 2 274.368 1.328 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001731678546 1182516054 /nfs/dbraw/zinc/51/60/54/1182516054.db2.gz RRRWBHIVFQRORW-ZDUSSCGKSA-N 2 2 290.411 1.702 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001732622575 1183053197 /nfs/dbraw/zinc/05/31/97/1183053197.db2.gz IEDCNIKRKZQNCV-TZMCWYRMSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733260624 1183374716 /nfs/dbraw/zinc/37/47/16/1183374716.db2.gz QPFVSGBGAJVDAE-LBPRGKRZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733260624 1183374722 /nfs/dbraw/zinc/37/47/22/1183374722.db2.gz QPFVSGBGAJVDAE-LBPRGKRZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001733983039 1183600991 /nfs/dbraw/zinc/60/09/91/1183600991.db2.gz MCECRSXTEQYSBZ-NEPJUHHUSA-N 2 2 272.352 1.617 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734043347 1183631450 /nfs/dbraw/zinc/63/14/50/1183631450.db2.gz CVYOPCOLGAVCGM-NSHDSACASA-N 2 2 272.352 1.799 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734043347 1183631451 /nfs/dbraw/zinc/63/14/51/1183631451.db2.gz CVYOPCOLGAVCGM-NSHDSACASA-N 2 2 272.352 1.799 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734045375 1183633122 /nfs/dbraw/zinc/63/31/22/1183633122.db2.gz SINKNOVHXNEVNI-STQMWFEESA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734045375 1183633126 /nfs/dbraw/zinc/63/31/26/1183633126.db2.gz SINKNOVHXNEVNI-STQMWFEESA-N 2 2 276.384 1.068 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001635550710 1166595581 /nfs/dbraw/zinc/59/55/81/1166595581.db2.gz QUPLRTPIXVSKAM-CQSZACIVSA-N 2 2 275.352 1.179 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001565831868 1168178447 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CDEELP C=C(C)C[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001266297044 894226837 /nfs/dbraw/zinc/22/68/37/894226837.db2.gz HMIGDNBVRIGACE-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001266297044 894226857 /nfs/dbraw/zinc/22/68/57/894226857.db2.gz HMIGDNBVRIGACE-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267113091 896825668 /nfs/dbraw/zinc/82/56/68/896825668.db2.gz CYFKZRBWVFGQTN-CQSZACIVSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267113091 896825680 /nfs/dbraw/zinc/82/56/80/896825680.db2.gz CYFKZRBWVFGQTN-CQSZACIVSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689102 899282779 /nfs/dbraw/zinc/28/27/79/899282779.db2.gz BMLULWOFUQZWPJ-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689102 899282789 /nfs/dbraw/zinc/28/27/89/899282789.db2.gz BMLULWOFUQZWPJ-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C#CC[NH2+]CC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001272651338 914354258 /nfs/dbraw/zinc/35/42/58/914354258.db2.gz DSUPFGIPFSFDSW-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001268123870 901348908 /nfs/dbraw/zinc/34/89/08/901348908.db2.gz QLVPUBFABFLIKG-CQSZACIVSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001268137759 901383549 /nfs/dbraw/zinc/38/35/49/901383549.db2.gz LCWDHOLTDABXRS-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001268236135 901630362 /nfs/dbraw/zinc/63/03/62/901630362.db2.gz BRKCXRDKRIAWNN-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001268236135 901630366 /nfs/dbraw/zinc/63/03/66/901630366.db2.gz BRKCXRDKRIAWNN-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482109514 902653162 /nfs/dbraw/zinc/65/31/62/902653162.db2.gz GCZHRLLAQJCOSW-IJLUTSLNSA-N 2 2 262.357 1.041 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482109514 902653171 /nfs/dbraw/zinc/65/31/71/902653171.db2.gz GCZHRLLAQJCOSW-IJLUTSLNSA-N 2 2 262.357 1.041 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001567815413 1168991680 /nfs/dbraw/zinc/99/16/80/1168991680.db2.gz NGECRUDEUODFNT-ZDUSSCGKSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001269736581 904075270 /nfs/dbraw/zinc/07/52/70/904075270.db2.gz DXIIFYDARSPHHL-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001269736581 904075281 /nfs/dbraw/zinc/07/52/81/904075281.db2.gz DXIIFYDARSPHHL-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001482311838 904917209 /nfs/dbraw/zinc/91/72/09/904917209.db2.gz SAGGWZPVGZDIEM-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682365 910624463 /nfs/dbraw/zinc/62/44/63/910624463.db2.gz MKLFMDSBTWDDLN-GFCCVEGCSA-N 2 2 273.808 1.271 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001409682365 910624473 /nfs/dbraw/zinc/62/44/73/910624473.db2.gz MKLFMDSBTWDDLN-GFCCVEGCSA-N 2 2 273.808 1.271 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001484984944 916345266 /nfs/dbraw/zinc/34/52/66/916345266.db2.gz ZUBHNKOZXRTMRY-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001484984944 916345283 /nfs/dbraw/zinc/34/52/83/916345283.db2.gz ZUBHNKOZXRTMRY-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001485771297 917273951 /nfs/dbraw/zinc/27/39/51/917273951.db2.gz YZVBYGUMSFNSRZ-UHFFFAOYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001485771297 917273960 /nfs/dbraw/zinc/27/39/60/917273960.db2.gz YZVBYGUMSFNSRZ-UHFFFAOYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001486134763 920742270 /nfs/dbraw/zinc/74/22/70/920742270.db2.gz HCBNHFQGYFZVLY-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001491218297 936878144 /nfs/dbraw/zinc/87/81/44/936878144.db2.gz DZHNMLCYIUTTKD-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001491218297 936878146 /nfs/dbraw/zinc/87/81/46/936878146.db2.gz DZHNMLCYIUTTKD-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001488782580 926692312 /nfs/dbraw/zinc/69/23/12/926692312.db2.gz XZRCANORSIYZRG-BETUJISGSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001490601171 927227275 /nfs/dbraw/zinc/22/72/75/927227275.db2.gz OTTRETFVOWBKOK-CQSZACIVSA-N 2 2 288.395 1.430 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275402618 931774330 /nfs/dbraw/zinc/77/43/30/931774330.db2.gz BAYRTCOIUKRXEN-STQMWFEESA-N 2 2 286.379 1.925 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275946002 932160482 /nfs/dbraw/zinc/16/04/82/932160482.db2.gz QGZCVOQJCSCHAB-UONOGXRCSA-N 2 2 278.400 1.847 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275946002 932160486 /nfs/dbraw/zinc/16/04/86/932160486.db2.gz QGZCVOQJCSCHAB-UONOGXRCSA-N 2 2 278.400 1.847 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001276070073 932490739 /nfs/dbraw/zinc/49/07/39/932490739.db2.gz AYNKXLMXJOTAHG-UHFFFAOYSA-N 2 2 278.400 1.551 10 30 CDEELP C#CC[N@@H+](C[C@@H](C)OC)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001119266591 937704606 /nfs/dbraw/zinc/70/46/06/937704606.db2.gz REEMTHFVHACUPR-LSDHHAIUSA-N 2 2 282.428 1.456 10 30 CDEELP C#CC[N@H+](C[C@@H](C)OC)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001119266591 937704607 /nfs/dbraw/zinc/70/46/07/937704607.db2.gz REEMTHFVHACUPR-LSDHHAIUSA-N 2 2 282.428 1.456 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001495749505 934366236 /nfs/dbraw/zinc/36/62/36/934366236.db2.gz HQCOUXVWPOZBDK-ZIAGYGMSSA-N 2 2 276.384 1.199 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001265805181 944515040 /nfs/dbraw/zinc/51/50/40/944515040.db2.gz ZVJDFZMXPXAQML-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001479261448 971280103 /nfs/dbraw/zinc/28/01/03/971280103.db2.gz UNQLGLKARKWPNV-ZDUSSCGKSA-N 2 2 290.411 1.796 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001479261448 971280110 /nfs/dbraw/zinc/28/01/10/971280110.db2.gz UNQLGLKARKWPNV-ZDUSSCGKSA-N 2 2 290.411 1.796 10 30 CDEELP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278425524 947890439 /nfs/dbraw/zinc/89/04/39/947890439.db2.gz ASRNRUZMIOJNCY-GOEBONIOSA-N 2 2 288.395 1.438 10 30 CDEELP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278425524 947890451 /nfs/dbraw/zinc/89/04/51/947890451.db2.gz ASRNRUZMIOJNCY-GOEBONIOSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001480766497 971871420 /nfs/dbraw/zinc/87/14/20/971871420.db2.gz AXJRFQWWXLCVSR-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001480766497 971871426 /nfs/dbraw/zinc/87/14/26/971871426.db2.gz AXJRFQWWXLCVSR-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=CCCC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001328062109 955179972 /nfs/dbraw/zinc/17/99/72/955179972.db2.gz SBHRTFVOEQRPPL-UHFFFAOYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491594622 955305551 /nfs/dbraw/zinc/30/55/51/955305551.db2.gz GMPWBXMCBUKJPY-NEPJUHHUSA-N 2 2 250.346 1.115 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001329148567 955720080 /nfs/dbraw/zinc/72/00/80/955720080.db2.gz FRPKPVTVMLMJTJ-MNOVXSKESA-N 2 2 250.346 1.011 10 30 CDEELP C=CC[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001329765331 956102611 /nfs/dbraw/zinc/10/26/11/956102611.db2.gz NLTRSPZXGRYACS-AWEZNQCLSA-N 2 2 292.427 1.909 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317145117 957303800 /nfs/dbraw/zinc/30/38/00/957303800.db2.gz XCEISYASPZCXKR-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317145117 957303812 /nfs/dbraw/zinc/30/38/12/957303812.db2.gz XCEISYASPZCXKR-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001332005886 957394815 /nfs/dbraw/zinc/39/48/15/957394815.db2.gz BJVFUXNJLDCVOQ-KGLIPLIRSA-N 2 2 296.374 1.550 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001367396829 957992092 /nfs/dbraw/zinc/99/20/92/957992092.db2.gz LYDQTKVJURGXAK-NSHDSACASA-N 2 2 298.818 1.876 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001318428584 958102985 /nfs/dbraw/zinc/10/29/85/958102985.db2.gz KLNHFUCTHCJTLR-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001318428584 958102992 /nfs/dbraw/zinc/10/29/92/958102992.db2.gz KLNHFUCTHCJTLR-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C=CC[NH+]1CCC(C2(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001333179383 958134340 /nfs/dbraw/zinc/13/43/40/958134340.db2.gz HBOOAWHTZHXVLL-UHFFFAOYSA-N 2 2 288.395 1.499 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)CCn1cc[nH+]c1 ZINC001320810625 959404238 /nfs/dbraw/zinc/40/42/38/959404238.db2.gz ZVCFCLBINHMBEO-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001322372531 960197224 /nfs/dbraw/zinc/19/72/24/960197224.db2.gz SJCLKLXGYUTYJQ-GJZGRUSLSA-N 2 2 290.411 1.724 10 30 CDEELP C=CCC[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001495430021 972497329 /nfs/dbraw/zinc/49/73/29/972497329.db2.gz YPJBHYAOHPCLGH-UHFFFAOYSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001323023563 960411231 /nfs/dbraw/zinc/41/12/31/960411231.db2.gz XABSKAUSOZDXJB-UKRRQHHQSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001440889786 964223636 /nfs/dbraw/zinc/22/36/36/964223636.db2.gz QHWAKKVVQFVNTA-UHFFFAOYSA-N 2 2 298.818 1.710 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001495704987 972602393 /nfs/dbraw/zinc/60/23/93/972602393.db2.gz ATNSFOBLWSEKHF-CYBMUJFWSA-N 2 2 278.400 1.271 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001498061535 973653780 /nfs/dbraw/zinc/65/37/80/973653780.db2.gz CJPBYMLTBHYHJG-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498059885 973654163 /nfs/dbraw/zinc/65/41/63/973654163.db2.gz PKXFUNXQGLHIGU-NSHDSACASA-N 2 2 272.352 1.847 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001505634645 974945111 /nfs/dbraw/zinc/94/51/11/974945111.db2.gz ZALGWSKRUQBHAY-QWHCGFSZSA-N 2 2 278.400 1.595 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505722146 974973666 /nfs/dbraw/zinc/97/36/66/974973666.db2.gz YZQZDTHSRUMDLA-RYUDHWBXSA-N 2 2 264.373 1.401 10 30 CDEELP C=C(Cl)C[N@H+](CCC)CCNC(=O)Cn1c[nH+]cc1C ZINC001377489766 975050316 /nfs/dbraw/zinc/05/03/16/975050316.db2.gz MDODQNLBSDQQLN-UHFFFAOYSA-N 2 2 298.818 1.772 10 30 CDEELP C=C(Cl)C[N@@H+](CCC)CCNC(=O)Cn1c[nH+]cc1C ZINC001377489766 975050320 /nfs/dbraw/zinc/05/03/20/975050320.db2.gz MDODQNLBSDQQLN-UHFFFAOYSA-N 2 2 298.818 1.772 10 30 CDEELP C=CCCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001506663576 975198903 /nfs/dbraw/zinc/19/89/03/975198903.db2.gz IIDKPYHNRRCQBA-CYBMUJFWSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001506888990 975247546 /nfs/dbraw/zinc/24/75/46/975247546.db2.gz PHFKDCGOVKEXMR-MGPQQGTHSA-N 2 2 288.395 1.116 10 30 CDEELP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001506907985 975255258 /nfs/dbraw/zinc/25/52/58/975255258.db2.gz ULRQZVZEEZKJAP-SHTZXODSSA-N 2 2 288.395 1.171 10 30 CDEELP CC#CC[NH2+][C@H](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001506991910 975285917 /nfs/dbraw/zinc/28/59/17/975285917.db2.gz TWIINBLBFXWEQG-CYBMUJFWSA-N 2 2 276.384 1.096 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001394064148 978046314 /nfs/dbraw/zinc/04/63/14/978046314.db2.gz ZGDSCQXWDOXDGF-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001394064148 978046326 /nfs/dbraw/zinc/04/63/26/978046326.db2.gz ZGDSCQXWDOXDGF-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001394064148 978046330 /nfs/dbraw/zinc/04/63/30/978046330.db2.gz ZGDSCQXWDOXDGF-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001394064148 978046338 /nfs/dbraw/zinc/04/63/38/978046338.db2.gz ZGDSCQXWDOXDGF-YNEHKIRRSA-N 2 2 287.835 1.516 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001676878976 1174284152 /nfs/dbraw/zinc/28/41/52/1174284152.db2.gz KDKPCCAUJBGZCL-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001676878976 1174284156 /nfs/dbraw/zinc/28/41/56/1174284156.db2.gz KDKPCCAUJBGZCL-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001570661309 1170225446 /nfs/dbraw/zinc/22/54/46/1170225446.db2.gz UWPCZEMGTXFQLX-UHFFFAOYSA-N 2 2 288.395 1.335 10 30 CDEELP C#CC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001570661309 1170225449 /nfs/dbraw/zinc/22/54/49/1170225449.db2.gz UWPCZEMGTXFQLX-UHFFFAOYSA-N 2 2 288.395 1.335 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001571415999 1170419624 /nfs/dbraw/zinc/41/96/24/1170419624.db2.gz YILAAZCOTIRSQQ-LLVKDONJSA-N 2 2 264.373 1.273 10 30 CDEELP C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000651690334 398151565 /nfs/dbraw/zinc/15/15/65/398151565.db2.gz APISXKGXCNGWJJ-ZIAGYGMSSA-N 2 2 265.401 1.095 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000594440922 342907478 /nfs/dbraw/zinc/90/74/78/342907478.db2.gz JIDKVYCNURCOFN-QWHCGFSZSA-N 2 2 289.383 1.527 10 30 CDEELP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594947143 342981446 /nfs/dbraw/zinc/98/14/46/342981446.db2.gz SZVUJPXXJKFTDV-UHFFFAOYSA-N 2 2 287.407 1.646 10 30 CDEELP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594947143 342981447 /nfs/dbraw/zinc/98/14/47/342981447.db2.gz SZVUJPXXJKFTDV-UHFFFAOYSA-N 2 2 287.407 1.646 10 30 CDEELP C[C@H](CC#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000597227086 343487631 /nfs/dbraw/zinc/48/76/31/343487631.db2.gz PSSHLXIFVVJNIE-CYBMUJFWSA-N 2 2 280.416 1.021 10 30 CDEELP C[C@H](CC#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000597227086 343487635 /nfs/dbraw/zinc/48/76/35/343487635.db2.gz PSSHLXIFVVJNIE-CYBMUJFWSA-N 2 2 280.416 1.021 10 30 CDEELP C=CC[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001662224888 1172511665 /nfs/dbraw/zinc/51/16/65/1172511665.db2.gz KMAYKDRRPRVRPB-LBPRGKRZSA-N 2 2 276.384 1.042 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000655938516 412956046 /nfs/dbraw/zinc/95/60/46/412956046.db2.gz WTPVKYGWEADRTQ-CFVMTHIKSA-N 2 2 275.400 1.413 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000655938516 412956056 /nfs/dbraw/zinc/95/60/56/412956056.db2.gz WTPVKYGWEADRTQ-CFVMTHIKSA-N 2 2 275.400 1.413 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917737 398117305 /nfs/dbraw/zinc/11/73/05/398117305.db2.gz MWEBWLJWTXMWBB-CVEARBPZSA-N 2 2 291.439 1.651 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917737 398117309 /nfs/dbraw/zinc/11/73/09/398117309.db2.gz MWEBWLJWTXMWBB-CVEARBPZSA-N 2 2 291.439 1.651 10 30 CDEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001664893651 1172923700 /nfs/dbraw/zinc/92/37/00/1172923700.db2.gz DBUIIDZVFNDCEX-UHFFFAOYSA-N 2 2 290.411 1.699 10 30 CDEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001664893651 1172923706 /nfs/dbraw/zinc/92/37/06/1172923706.db2.gz DBUIIDZVFNDCEX-UHFFFAOYSA-N 2 2 290.411 1.699 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000037257432 173068298 /nfs/dbraw/zinc/06/82/98/173068298.db2.gz JDSVGKVXPOJKPV-INIZCTEOSA-N 2 2 258.365 1.407 10 30 CDEELP C#CC[NH+]1CCC(N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000037321642 173121878 /nfs/dbraw/zinc/12/18/78/173121878.db2.gz QDQYRCIUVCSPDP-MRXNPFEDSA-N 2 2 265.445 1.650 10 30 CDEELP N#Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529851 175193997 /nfs/dbraw/zinc/19/39/97/175193997.db2.gz QKFFRZSBHXHKJW-LBPRGKRZSA-N 2 2 272.352 1.167 10 30 CDEELP N#Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529851 175193999 /nfs/dbraw/zinc/19/39/99/175193999.db2.gz QKFFRZSBHXHKJW-LBPRGKRZSA-N 2 2 272.352 1.167 10 30 CDEELP C[N@@H+]1CCN(CC[C@@](C)([NH3+])C#N)[C@@H](c2ccccc2)C1 ZINC000045178274 175324147 /nfs/dbraw/zinc/32/41/47/175324147.db2.gz QTRISMRJFXJEON-HZPDHXFCSA-N 2 2 272.396 1.606 10 30 CDEELP C[N@H+]1CCN(CC[C@@](C)([NH3+])C#N)[C@@H](c2ccccc2)C1 ZINC000045178274 175324149 /nfs/dbraw/zinc/32/41/49/175324149.db2.gz QTRISMRJFXJEON-HZPDHXFCSA-N 2 2 272.396 1.606 10 30 CDEELP CC(C)N[C@](C)(C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000045181009 175324851 /nfs/dbraw/zinc/32/48/51/175324851.db2.gz XVDAUEWYRDPRGH-HNNXBMFYSA-N 2 2 266.433 1.683 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001667210376 1173245694 /nfs/dbraw/zinc/24/56/94/1173245694.db2.gz IAIVBFJKEGGVQY-GXTWGEPZSA-N 2 2 288.395 1.111 10 30 CDEELP Cc1cc(N2CCC(OCCC[NH3+])CC2)c(C#N)c[nH+]1 ZINC000399101100 267335065 /nfs/dbraw/zinc/33/50/65/267335065.db2.gz VTGBDMXALDSXFL-UHFFFAOYSA-N 2 2 274.368 1.596 10 30 CDEELP Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)c(C#N)c[nH+]1 ZINC000566104929 316477677 /nfs/dbraw/zinc/47/76/77/316477677.db2.gz KJPLXTZCRCKFKK-HNNXBMFYSA-N 2 2 256.353 1.842 10 30 CDEELP CN(C)C(=[NH+]Cc1cccc(-n2cc[nH+]c2)c1)N(C)C ZINC000262550510 330020894 /nfs/dbraw/zinc/02/08/94/330020894.db2.gz XUMHRQYGXJKVQX-UHFFFAOYSA-N 2 2 271.368 1.852 10 30 CDEELP N#CCCOCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000338913293 335139690 /nfs/dbraw/zinc/13/96/90/335139690.db2.gz PZRJIUWFIYDHAV-UHFFFAOYSA-N 2 2 251.374 1.477 10 30 CDEELP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001482112579 1159983025 /nfs/dbraw/zinc/98/30/25/1159983025.db2.gz VYYCCUUMYUGLJL-LSDHHAIUSA-N 2 2 290.411 1.445 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001269481529 1160061083 /nfs/dbraw/zinc/06/10/83/1160061083.db2.gz AUOWNDMJCAAXOT-CHWSQXEVSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001269481529 1160061092 /nfs/dbraw/zinc/06/10/92/1160061092.db2.gz AUOWNDMJCAAXOT-CHWSQXEVSA-N 2 2 278.400 1.649 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271119645 1160246802 /nfs/dbraw/zinc/24/68/02/1160246802.db2.gz CTLYYYDWJGCKMS-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 CDEELP CCC[NH+]1CCC([NH2+]Cc2cccnc2C#N)CC1 ZINC000061658388 519847013 /nfs/dbraw/zinc/84/70/13/519847013.db2.gz WKCXGQRKTXUGMB-UHFFFAOYSA-N 2 2 258.369 1.917 10 30 CDEELP CC[NH2+][C@](C#N)(CN1CCC([NH+](C)C)CC1)C1CC1 ZINC000069078165 520223661 /nfs/dbraw/zinc/22/36/61/520223661.db2.gz WQXMCHHURXVPBI-OAHLLOKOSA-N 2 2 264.417 1.294 10 30 CDEELP N#C[C@]([NH3+])(CN1CC[C@@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069083365 526514508 /nfs/dbraw/zinc/51/45/08/526514508.db2.gz BWZGLQYCGQFRQN-CABCVRRESA-N 2 2 262.401 1.178 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000901203233 623996872 /nfs/dbraw/zinc/99/68/72/623996872.db2.gz HQGDWIGDYIPACE-ZDUSSCGKSA-N 2 2 276.384 1.244 10 30 CDEELP CC(C)(C)[NH+]=C(NCCn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000912506717 630048124 /nfs/dbraw/zinc/04/81/24/630048124.db2.gz BGNCYFIGCSCQBQ-CYBMUJFWSA-N 2 2 293.415 1.396 10 30 CDEELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000867999116 679858752 /nfs/dbraw/zinc/85/87/52/679858752.db2.gz RSKNGMNITWVRNQ-GJZGRUSLSA-N 2 2 286.379 1.310 10 30 CDEELP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1cccc(C#N)c1 ZINC000842154481 679863272 /nfs/dbraw/zinc/86/32/72/679863272.db2.gz UCSZRRQWVSKQGB-INIZCTEOSA-N 2 2 284.363 1.810 10 30 CDEELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)c1cccc(C#N)c1 ZINC000842154481 679863273 /nfs/dbraw/zinc/86/32/73/679863273.db2.gz UCSZRRQWVSKQGB-INIZCTEOSA-N 2 2 284.363 1.810 10 30 CDEELP C=CC[C@H](C)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254962 683065391 /nfs/dbraw/zinc/06/53/91/683065391.db2.gz UUQTYQDJOUQBLU-AWEZNQCLSA-N 2 2 279.428 1.757 10 30 CDEELP Nc1ccc2c(c1)CCC2=[NH+]NCCCn1cc[nH+]c1 ZINC000848416526 683835608 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CDEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001715153057 1179565693 /nfs/dbraw/zinc/56/56/93/1179565693.db2.gz BFPABBYTGHPHQJ-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715466781 1179674099 /nfs/dbraw/zinc/67/40/99/1179674099.db2.gz OBBMNDWYNVSDEN-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716748333 1180396626 /nfs/dbraw/zinc/39/66/26/1180396626.db2.gz GWIOKILKRYWVLF-UHFFFAOYSA-N 2 2 262.357 1.061 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001717855627 1180895316 /nfs/dbraw/zinc/89/53/16/1180895316.db2.gz IRXMEXXQWCPHNH-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP CC#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001717855627 1180895326 /nfs/dbraw/zinc/89/53/26/1180895326.db2.gz IRXMEXXQWCPHNH-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001717855630 1180896183 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286.379 1.021 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001731296503 1182300177 /nfs/dbraw/zinc/30/01/77/1182300177.db2.gz IUFGEKQUMADKFH-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732077225 1182753183 /nfs/dbraw/zinc/75/31/83/1182753183.db2.gz AFSSFHWRSAFNQK-ZDUSSCGKSA-N 2 2 276.384 1.309 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732077225 1182753190 /nfs/dbraw/zinc/75/31/90/1182753190.db2.gz AFSSFHWRSAFNQK-ZDUSSCGKSA-N 2 2 276.384 1.309 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001732218754 1182865031 /nfs/dbraw/zinc/86/50/31/1182865031.db2.gz XBXXRIMTYNQVFN-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001732545912 1183002613 /nfs/dbraw/zinc/00/26/13/1183002613.db2.gz URMNJDVHABGZNQ-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 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1.417 10 30 CDEELP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001733443264 1183433811 /nfs/dbraw/zinc/43/38/11/1183433811.db2.gz GZESYKRWSKXJCY-INIZCTEOSA-N 2 2 288.395 1.125 10 30 CDEELP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733464196 1183439408 /nfs/dbraw/zinc/43/94/08/1183439408.db2.gz XIZAKBNDCQGVBR-MRXNPFEDSA-N 2 2 288.395 1.125 10 30 CDEELP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733464196 1183439409 /nfs/dbraw/zinc/43/94/09/1183439409.db2.gz XIZAKBNDCQGVBR-MRXNPFEDSA-N 2 2 288.395 1.125 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001733525159 1183456371 /nfs/dbraw/zinc/45/63/71/1183456371.db2.gz BLYDCWWTBWJIMR-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000876769353 1165913528 /nfs/dbraw/zinc/91/35/28/1165913528.db2.gz SGXZIHSDIKNPGU-NSHDSACASA-N 2 2 282.775 1.586 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000876769353 1165913536 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CDEELP C#CC[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001267696120 899308939 /nfs/dbraw/zinc/30/89/39/899308939.db2.gz OZCNGGFUHJXKLD-QGZVFWFLSA-N 2 2 299.418 1.361 10 30 CDEELP C#CC[N@@H+](CCCNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001481355960 900487325 /nfs/dbraw/zinc/48/73/25/900487325.db2.gz FUWZPSPGRGUQPN-HNNXBMFYSA-N 2 2 290.411 1.684 10 30 CDEELP C#CC[N@H+](CCCNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001481355960 900487328 /nfs/dbraw/zinc/48/73/28/900487328.db2.gz FUWZPSPGRGUQPN-HNNXBMFYSA-N 2 2 290.411 1.684 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001268161023 901454594 /nfs/dbraw/zinc/45/45/94/901454594.db2.gz NIZAFXXEMPLFSW-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001268210220 901576338 /nfs/dbraw/zinc/57/63/38/901576338.db2.gz ABEBYBHVCXAVQD-AWEZNQCLSA-N 2 2 292.427 1.843 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481706834 901866171 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C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001482299712 904780201 /nfs/dbraw/zinc/78/02/01/904780201.db2.gz ONYKQKFXXAMIMD-AWEZNQCLSA-N 2 2 292.427 1.939 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485178214 916627693 /nfs/dbraw/zinc/62/76/93/916627693.db2.gz SVCFNDRDUMYQKS-QWHCGFSZSA-N 2 2 264.373 1.332 10 30 CDEELP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001272885600 919959140 /nfs/dbraw/zinc/95/91/40/919959140.db2.gz NPOYQGPZBSTYGX-CABCVRRESA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001272885600 919959149 /nfs/dbraw/zinc/95/91/49/919959149.db2.gz NPOYQGPZBSTYGX-CABCVRRESA-N 2 2 297.443 1.110 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001491031554 936844257 /nfs/dbraw/zinc/84/42/57/936844257.db2.gz GUTFEVPRLLLZAA-MCIONIFRSA-N 2 2 288.395 1.258 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001280495270 942453616 /nfs/dbraw/zinc/45/36/16/942453616.db2.gz NPFKAQUXQDJZQO-UHFFFAOYSA-N 2 2 276.384 1.478 10 30 CDEELP C#CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284055365 943067238 /nfs/dbraw/zinc/06/72/38/943067238.db2.gz ATLBJPDNGZEWBY-GDBMZVCRSA-N 2 2 286.379 1.020 10 30 CDEELP C#CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284055365 943067244 /nfs/dbraw/zinc/06/72/44/943067244.db2.gz ATLBJPDNGZEWBY-GDBMZVCRSA-N 2 2 286.379 1.020 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001277736242 943438136 /nfs/dbraw/zinc/43/81/36/943438136.db2.gz YWWJJNFAFBEKCD-AWEZNQCLSA-N 2 2 276.384 1.286 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001264374183 944116590 /nfs/dbraw/zinc/11/65/90/944116590.db2.gz BGAOCKFVKFVOOT-MRXNPFEDSA-N 2 2 291.439 1.274 10 30 CDEELP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001264374183 944116592 /nfs/dbraw/zinc/11/65/92/944116592.db2.gz BGAOCKFVKFVOOT-MRXNPFEDSA-N 2 2 291.439 1.274 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001479313964 971297400 /nfs/dbraw/zinc/29/74/00/971297400.db2.gz GEQXAXPRFIENOH-GASCZTMLSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001569058694 1169622819 /nfs/dbraw/zinc/62/28/19/1169622819.db2.gz QGDTXFJHBZEFCY-LBPRGKRZSA-N 2 2 286.379 1.927 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480703782 971843263 /nfs/dbraw/zinc/84/32/63/971843263.db2.gz AABHNNRWPYCCAC-KGLIPLIRSA-N 2 2 290.411 1.935 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001328039141 955169948 /nfs/dbraw/zinc/16/99/48/955169948.db2.gz NUWWNNLZEKYELR-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329031734 955640540 /nfs/dbraw/zinc/64/05/40/955640540.db2.gz CXRYRCXSBVRESE-KBPBESRZSA-N 2 2 298.390 1.762 10 30 CDEELP C=C(C)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001569248231 1169735237 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C#CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)o2)CC1 ZINC001544085006 967338286 /nfs/dbraw/zinc/33/82/86/967338286.db2.gz YHPJITYZVVNMFG-UHFFFAOYSA-N 2 2 289.379 1.122 10 30 CDEELP C#CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)o2)CC1 ZINC001544085006 967338304 /nfs/dbraw/zinc/33/83/04/967338304.db2.gz YHPJITYZVVNMFG-UHFFFAOYSA-N 2 2 289.379 1.122 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001495571861 972542524 /nfs/dbraw/zinc/54/25/24/972542524.db2.gz JGIRUOHHYUYVKP-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001495691904 972598698 /nfs/dbraw/zinc/59/86/98/972598698.db2.gz RFVMHQYMHGBWIE-ZDUSSCGKSA-N 2 2 292.427 1.845 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661360 974953958 /nfs/dbraw/zinc/95/39/58/974953958.db2.gz UJANSJSYFUTGMG-UONOGXRCSA-N 2 2 292.427 1.802 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001402952051 976611630 /nfs/dbraw/zinc/61/16/30/976611630.db2.gz YHLBNISLUNAVCS-NWDGAFQWSA-N 2 2 296.802 1.292 10 30 CDEELP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495207 342697030 /nfs/dbraw/zinc/69/70/30/342697030.db2.gz JGGQRNZCRDBNIB-JMSVASOKSA-N 2 2 258.369 1.758 10 30 CDEELP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495207 342697031 /nfs/dbraw/zinc/69/70/31/342697031.db2.gz JGGQRNZCRDBNIB-JMSVASOKSA-N 2 2 258.369 1.758 10 30 CDEELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439961 342906965 /nfs/dbraw/zinc/90/69/65/342906965.db2.gz WQVXKIIIINUPRT-CYBMUJFWSA-N 2 2 291.399 1.567 10 30 CDEELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@@H+]1C1CC1 ZINC000600729916 342245686 /nfs/dbraw/zinc/24/56/86/342245686.db2.gz JPBKSUNXZJUBRW-BZPMIXESSA-N 2 2 263.385 1.256 10 30 CDEELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@H+]1C1CC1 ZINC000600729916 342245687 /nfs/dbraw/zinc/24/56/87/342245687.db2.gz JPBKSUNXZJUBRW-BZPMIXESSA-N 2 2 263.385 1.256 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600758915 342247815 /nfs/dbraw/zinc/24/78/15/342247815.db2.gz XOFIVTITQQEMJL-CABCVRRESA-N 2 2 279.428 1.894 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600758915 342247816 /nfs/dbraw/zinc/24/78/16/342247816.db2.gz XOFIVTITQQEMJL-CABCVRRESA-N 2 2 279.428 1.894 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626089081 342301298 /nfs/dbraw/zinc/30/12/98/342301298.db2.gz ZOGBFBRDZKQEHM-OAHLLOKOSA-N 2 2 282.428 1.500 10 30 CDEELP N#Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595862345 343174462 /nfs/dbraw/zinc/17/44/62/343174462.db2.gz AOGJKFDMKLRDCQ-QGZVFWFLSA-N 2 2 285.391 1.589 10 30 CDEELP N#Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595862345 343174463 /nfs/dbraw/zinc/17/44/63/343174463.db2.gz AOGJKFDMKLRDCQ-QGZVFWFLSA-N 2 2 285.391 1.589 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000610994394 346565959 /nfs/dbraw/zinc/56/59/59/346565959.db2.gz GCTAVEKPGJBUNT-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1C ZINC000610994394 346565961 /nfs/dbraw/zinc/56/59/61/346565961.db2.gz GCTAVEKPGJBUNT-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994394 346565963 /nfs/dbraw/zinc/56/59/63/346565963.db2.gz GCTAVEKPGJBUNT-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994394 346565966 /nfs/dbraw/zinc/56/59/66/346565966.db2.gz GCTAVEKPGJBUNT-SWLSCSKDSA-N 2 2 258.369 1.868 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1=O ZINC000337197324 360019520 /nfs/dbraw/zinc/01/95/20/360019520.db2.gz YKASEUVUJVGDQS-KKUMJFAQSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1=O ZINC000337197324 360019525 /nfs/dbraw/zinc/01/95/25/360019525.db2.gz YKASEUVUJVGDQS-KKUMJFAQSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1=O ZINC000337197324 360019529 /nfs/dbraw/zinc/01/95/29/360019529.db2.gz YKASEUVUJVGDQS-KKUMJFAQSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCN1CC[C@H]([N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1=O ZINC000337197324 360019532 /nfs/dbraw/zinc/01/95/32/360019532.db2.gz YKASEUVUJVGDQS-KKUMJFAQSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCC[C@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247360801 361073320 /nfs/dbraw/zinc/07/33/20/361073320.db2.gz KFZAOCUPJGAEEG-GJZGRUSLSA-N 2 2 263.385 1.983 10 30 CDEELP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247360801 361073326 /nfs/dbraw/zinc/07/33/26/361073326.db2.gz KFZAOCUPJGAEEG-GJZGRUSLSA-N 2 2 263.385 1.983 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358117545 367444153 /nfs/dbraw/zinc/44/41/53/367444153.db2.gz LYNSGQXVZWNPLI-MRXNPFEDSA-N 2 2 276.380 1.408 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358117545 367444159 /nfs/dbraw/zinc/44/41/59/367444159.db2.gz LYNSGQXVZWNPLI-MRXNPFEDSA-N 2 2 276.380 1.408 10 30 CDEELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C#N)cc1F ZINC000423547510 392964223 /nfs/dbraw/zinc/96/42/23/392964223.db2.gz DKKHRAWGCDTPFZ-PWSUYJOCSA-N 2 2 263.316 1.336 10 30 CDEELP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC001664712367 1172894993 /nfs/dbraw/zinc/89/49/93/1172894993.db2.gz IRQKCLLGVNXZKF-HNNXBMFYSA-N 2 2 298.427 1.321 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043595738 175076551 /nfs/dbraw/zinc/07/65/51/175076551.db2.gz FVOHIBXXDITXAI-MRXNPFEDSA-N 2 2 285.391 1.204 10 30 CDEELP N#CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686157 175232030 /nfs/dbraw/zinc/23/20/30/175232030.db2.gz YDVJQVXRBZSMDM-AWEZNQCLSA-N 2 2 271.364 1.915 10 30 CDEELP N#CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686157 175232031 /nfs/dbraw/zinc/23/20/31/175232031.db2.gz YDVJQVXRBZSMDM-AWEZNQCLSA-N 2 2 271.364 1.915 10 30 CDEELP CCN[C@@](C)(C#N)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000045182539 175325602 /nfs/dbraw/zinc/32/56/02/175325602.db2.gz ZQJHUKWLNHCJNV-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CCN[C@@](C)(C#N)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000045182539 175325604 /nfs/dbraw/zinc/32/56/04/175325604.db2.gz ZQJHUKWLNHCJNV-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CC(C)(C)[NH+]1CCN(CCC[C@@](C)([NH3+])C#N)CC1 ZINC000045318425 175358847 /nfs/dbraw/zinc/35/88/47/175358847.db2.gz HHBRPEBILBTMBS-CQSZACIVSA-N 2 2 252.406 1.424 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000071146680 176042839 /nfs/dbraw/zinc/04/28/39/176042839.db2.gz IVDPPABTKVSUJL-ZDUSSCGKSA-N 2 2 272.352 1.038 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000071146680 176042840 /nfs/dbraw/zinc/04/28/40/176042840.db2.gz IVDPPABTKVSUJL-ZDUSSCGKSA-N 2 2 272.352 1.038 10 30 CDEELP CC#CC[N@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001267251238 1159210563 /nfs/dbraw/zinc/21/05/63/1159210563.db2.gz ZHOHGUXDPGFXIR-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP CC#CC[N@@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001267251238 1159210570 /nfs/dbraw/zinc/21/05/70/1159210570.db2.gz ZHOHGUXDPGFXIR-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001691456292 1159316892 /nfs/dbraw/zinc/31/68/92/1159316892.db2.gz VYONNLRAYFCYGR-OKILXGFUSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH+]1CCC(Nc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000676080671 483409992 /nfs/dbraw/zinc/40/99/92/483409992.db2.gz GZWFPDQZWIMZHL-UHFFFAOYSA-N 2 2 276.388 1.308 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731786479 1182577243 /nfs/dbraw/zinc/57/72/43/1182577243.db2.gz VPWXJVQRBYZYLD-ZDUSSCGKSA-N 2 2 264.373 1.458 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731786479 1182577251 /nfs/dbraw/zinc/57/72/51/1182577251.db2.gz VPWXJVQRBYZYLD-ZDUSSCGKSA-N 2 2 264.373 1.458 10 30 CDEELP CCCN[C@H](C#N)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000062437220 520059345 /nfs/dbraw/zinc/05/93/45/520059345.db2.gz 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C#C[C@H]1CCC[NH+](C[C@H](O)C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020240 685987661 /nfs/dbraw/zinc/98/76/61/685987661.db2.gz AHENCBSIRYPKGL-BJWYYQGGSA-N 2 2 274.408 1.038 10 30 CDEELP C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926869080 686831672 /nfs/dbraw/zinc/83/16/72/686831672.db2.gz SQJWQVSPXQRXID-GVDBMIGSSA-N 2 2 275.440 1.691 10 30 CDEELP C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926869080 686831674 /nfs/dbraw/zinc/83/16/74/686831674.db2.gz SQJWQVSPXQRXID-GVDBMIGSSA-N 2 2 275.440 1.691 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691066511 1158876222 /nfs/dbraw/zinc/87/62/22/1158876222.db2.gz OYHODADGEVKASJ-HNNXBMFYSA-N 2 2 290.411 1.690 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691066511 1158876237 /nfs/dbraw/zinc/87/62/37/1158876237.db2.gz OYHODADGEVKASJ-HNNXBMFYSA-N 2 2 290.411 1.690 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001691085309 1158900251 /nfs/dbraw/zinc/90/02/51/1158900251.db2.gz DDOLPMAGBXDMMX-CQSZACIVSA-N 2 2 290.411 1.693 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001691085309 1158900256 /nfs/dbraw/zinc/90/02/56/1158900256.db2.gz DDOLPMAGBXDMMX-CQSZACIVSA-N 2 2 290.411 1.693 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482101681 1159980989 /nfs/dbraw/zinc/98/09/89/1159980989.db2.gz OZRWGDUSEUSJOZ-GFCCVEGCSA-N 2 2 286.379 1.784 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001567842904 1169012442 /nfs/dbraw/zinc/01/24/42/1169012442.db2.gz TUNQSEQXVPMVIG-AWEZNQCLSA-N 2 2 290.411 1.848 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001569306325 1169757737 /nfs/dbraw/zinc/75/77/37/1169757737.db2.gz LWXLMTMXLRHTEB-MCIONIFRSA-N 2 2 288.395 1.574 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001569306325 1169757745 /nfs/dbraw/zinc/75/77/45/1169757745.db2.gz LWXLMTMXLRHTEB-MCIONIFRSA-N 2 2 288.395 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CDEELP C#CCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001716694807 1180375191 /nfs/dbraw/zinc/37/51/91/1180375191.db2.gz UNFWOODKTGYGHK-CYBMUJFWSA-N 2 2 274.368 1.096 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717375352 1180636260 /nfs/dbraw/zinc/63/62/60/1180636260.db2.gz XAMXONZSTIHGCB-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001722950972 1181498932 /nfs/dbraw/zinc/49/89/32/1181498932.db2.gz BYHBSHPWLXPXFB-ZFWWWQNUSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001723568232 1181587028 /nfs/dbraw/zinc/58/70/28/1181587028.db2.gz COUOQCZNGLSRIK-LLVKDONJSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001723568232 1181587031 /nfs/dbraw/zinc/58/70/31/1181587031.db2.gz COUOQCZNGLSRIK-LLVKDONJSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001724947007 1181804351 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CDEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001675837339 1174154643 /nfs/dbraw/zinc/15/46/43/1174154643.db2.gz RGRFICWGUNDFOV-RBSFLKMASA-N 2 2 290.411 1.722 10 30 CDEELP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001656093933 1171764393 /nfs/dbraw/zinc/76/43/93/1171764393.db2.gz UORSPZJLQSAEMP-HUUCEWRRSA-N 2 2 288.395 1.390 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001656093933 1171764403 /nfs/dbraw/zinc/76/44/03/1171764403.db2.gz UORSPZJLQSAEMP-HUUCEWRRSA-N 2 2 288.395 1.390 10 30 CDEELP N#Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595862344 343174359 /nfs/dbraw/zinc/17/43/59/343174359.db2.gz AOGJKFDMKLRDCQ-KRWDZBQOSA-N 2 2 285.391 1.589 10 30 CDEELP N#Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595862344 343174360 /nfs/dbraw/zinc/17/43/60/343174360.db2.gz AOGJKFDMKLRDCQ-KRWDZBQOSA-N 2 2 285.391 1.589 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000680583498 482515041 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C[N@H+](Cc1ccc(C#CCO)s1)C1CC[NH+](C)CC1 ZINC000043679154 175089606 /nfs/dbraw/zinc/08/96/06/175089606.db2.gz NGKIWRFXSYJFSH-UHFFFAOYSA-N 2 2 278.421 1.618 10 30 CDEELP C[N@@H+](Cc1ccc(C#CCO)s1)C1CC[NH+](C)CC1 ZINC000043679154 175089608 /nfs/dbraw/zinc/08/96/08/175089608.db2.gz NGKIWRFXSYJFSH-UHFFFAOYSA-N 2 2 278.421 1.618 10 30 CDEELP N#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044686135 175232241 /nfs/dbraw/zinc/23/22/41/175232241.db2.gz BIIZZUGMOHXVRT-CQSZACIVSA-N 2 2 271.364 1.915 10 30 CDEELP N#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044686135 175232243 /nfs/dbraw/zinc/23/22/43/175232243.db2.gz BIIZZUGMOHXVRT-CQSZACIVSA-N 2 2 271.364 1.915 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[NH+](CCOC)CCOC ZINC000045318556 175358844 /nfs/dbraw/zinc/35/88/44/175358844.db2.gz YUKFMFGSYHLVHG-AWEZNQCLSA-N 2 2 271.405 1.253 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[NH+](CCOC)CCOC ZINC000045318605 175359451 /nfs/dbraw/zinc/35/94/51/175359451.db2.gz WPANIEBVWBVJKY-HNNXBMFYSA-N 2 2 285.432 1.643 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001669935430 1173632686 /nfs/dbraw/zinc/63/26/86/1173632686.db2.gz FQIMPMZVRYVFER-AWEZNQCLSA-N 2 2 278.400 1.676 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001669935430 1173632690 /nfs/dbraw/zinc/63/26/90/1173632690.db2.gz FQIMPMZVRYVFER-AWEZNQCLSA-N 2 2 278.400 1.676 10 30 CDEELP C=CCCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000560189942 327289226 /nfs/dbraw/zinc/28/92/26/327289226.db2.gz OJBRYWXUIHISQR-UHFFFAOYSA-N 2 2 262.401 1.894 10 30 CDEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423092479 330169236 /nfs/dbraw/zinc/16/92/36/330169236.db2.gz CAGNDJQRLRWAJA-QXSJWSMHSA-N 2 2 280.412 1.324 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000424291183 330334834 /nfs/dbraw/zinc/33/48/34/330334834.db2.gz DEIZMPNTUAGWJP-VIRABCJISA-N 2 2 250.386 1.650 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000424291183 330334835 /nfs/dbraw/zinc/33/48/35/330334835.db2.gz DEIZMPNTUAGWJP-VIRABCJISA-N 2 2 250.386 1.650 10 30 CDEELP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001725511194 1159248266 /nfs/dbraw/zinc/24/82/66/1159248266.db2.gz LDEXMNGNFCTTFG-KBPBESRZSA-N 2 2 276.384 1.294 10 30 CDEELP C#CC[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001484140131 1161255436 /nfs/dbraw/zinc/25/54/36/1161255436.db2.gz ODINFLOVBLZUMC-UHFFFAOYSA-N 2 2 288.395 1.125 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716497171 1180253903 /nfs/dbraw/zinc/25/39/03/1180253903.db2.gz IMEFIAPXQHDHTG-CHWSQXEVSA-N 2 2 264.373 1.457 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001689200239 1175116533 /nfs/dbraw/zinc/11/65/33/1175116533.db2.gz YJDMASSYHKMEHX-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001689200239 1175116536 /nfs/dbraw/zinc/11/65/36/1175116536.db2.gz YJDMASSYHKMEHX-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP COCC#CC[N@H+](C)[C@@H]1CCC[NH+](CC#CCOC)CC1 ZINC000677819745 617422246 /nfs/dbraw/zinc/42/22/46/617422246.db2.gz OUFPQXFSZDVWTE-QGZVFWFLSA-N 2 2 292.423 1.072 10 30 CDEELP COCC#CC[NH+](C)[C@@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC000677819745 617422258 /nfs/dbraw/zinc/42/22/58/617422258.db2.gz OUFPQXFSZDVWTE-QGZVFWFLSA-N 2 2 292.423 1.072 10 30 CDEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1CCOc2ccccc21 ZINC000261670855 693878603 /nfs/dbraw/zinc/87/86/03/693878603.db2.gz BVPNSDWAEALGLY-CQSZACIVSA-N 2 2 288.395 1.381 10 30 CDEELP CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000865533033 688552355 /nfs/dbraw/zinc/55/23/55/688552355.db2.gz VAHWJYDFMLKPDP-OAHLLOKOSA-N 2 2 295.390 1.925 10 30 CDEELP CC(C)[N@H+]1CC(=NNCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000848418492 688651347 /nfs/dbraw/zinc/65/13/47/688651347.db2.gz MLICATYDZKWISQ-ZDUSSCGKSA-N 2 2 263.389 1.579 10 30 CDEELP CC(C)[N@@H+]1CC(=NNCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000848418492 688651363 /nfs/dbraw/zinc/65/13/63/688651363.db2.gz MLICATYDZKWISQ-ZDUSSCGKSA-N 2 2 263.389 1.579 10 30 CDEELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCC#N)cc1 ZINC000854228247 688808048 /nfs/dbraw/zinc/80/80/48/688808048.db2.gz SQVPMJFGZMVZME-VEAWUBTESA-N 2 2 271.364 1.992 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074714 1158891853 /nfs/dbraw/zinc/89/18/53/1158891853.db2.gz GOJQDMZZAJKPAW-CABCVRRESA-N 2 2 290.411 1.771 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074714 1158891861 /nfs/dbraw/zinc/89/18/61/1158891861.db2.gz GOJQDMZZAJKPAW-CABCVRRESA-N 2 2 290.411 1.771 10 30 CDEELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CC1 ZINC000931718157 693223585 /nfs/dbraw/zinc/22/35/85/693223585.db2.gz LEXUEAXZJRQHFN-MJBXVCDLSA-N 2 2 263.385 1.210 10 30 CDEELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CC1 ZINC000931718157 693223587 /nfs/dbraw/zinc/22/35/87/693223587.db2.gz LEXUEAXZJRQHFN-MJBXVCDLSA-N 2 2 263.385 1.210 10 30 CDEELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CC1(C#N)CC1 ZINC000931718157 693223590 /nfs/dbraw/zinc/22/35/90/693223590.db2.gz LEXUEAXZJRQHFN-MJBXVCDLSA-N 2 2 263.385 1.210 10 30 CDEELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)CC1(C#N)CC1 ZINC000931718157 693223592 /nfs/dbraw/zinc/22/35/92/693223592.db2.gz LEXUEAXZJRQHFN-MJBXVCDLSA-N 2 2 263.385 1.210 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691368931 1159039990 /nfs/dbraw/zinc/03/99/90/1159039990.db2.gz FHUSFTFGSRNMDX-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001569614499 1169938172 /nfs/dbraw/zinc/93/81/72/1169938172.db2.gz WBZSXSZRVJVMFD-OAHLLOKOSA-N 2 2 290.411 1.724 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001656080634 1171759600 /nfs/dbraw/zinc/75/96/00/1171759600.db2.gz JWCMKQQTNCFEER-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001656080634 1171759605 /nfs/dbraw/zinc/75/96/05/1171759605.db2.gz JWCMKQQTNCFEER-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001661682484 1172426954 /nfs/dbraw/zinc/42/69/54/1172426954.db2.gz YOQLIBRFBQUMKL-BETUJISGSA-N 2 2 276.384 1.166 10 30 CDEELP C#CCC[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001674554516 1173963007 /nfs/dbraw/zinc/96/30/07/1173963007.db2.gz JCRFRJPUVOWKPL-UHFFFAOYSA-N 2 2 296.374 1.684 10 30 CDEELP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001690211600 1175405448 /nfs/dbraw/zinc/40/54/48/1175405448.db2.gz HFMXLAOGVQHVBZ-OWCLPIDISA-N 2 2 291.439 1.415 10 30 CDEELP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001690211600 1175405452 /nfs/dbraw/zinc/40/54/52/1175405452.db2.gz HFMXLAOGVQHVBZ-OWCLPIDISA-N 2 2 291.439 1.415 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001690357438 1175448662 /nfs/dbraw/zinc/44/86/62/1175448662.db2.gz UGEAJBSJKPDQRL-RWMBFGLXSA-N 2 2 276.384 1.544 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001699034683 1176052189 /nfs/dbraw/zinc/05/21/89/1176052189.db2.gz POXDQMJNRCIDKF-UONOGXRCSA-N 2 2 290.411 1.711 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001699036133 1176052936 /nfs/dbraw/zinc/05/29/36/1176052936.db2.gz JLWWLPNIRKQWGI-UONOGXRCSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699751826 1176607292 /nfs/dbraw/zinc/60/72/92/1176607292.db2.gz IDJJCULITFENLR-ZIAGYGMSSA-N 2 2 288.395 1.212 10 30 CDEELP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001700469121 1176957455 /nfs/dbraw/zinc/95/74/55/1176957455.db2.gz GSEYFXOWOJGMMS-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001700469121 1176957459 /nfs/dbraw/zinc/95/74/59/1176957459.db2.gz GSEYFXOWOJGMMS-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001700665522 1177065367 /nfs/dbraw/zinc/06/53/67/1177065367.db2.gz KIWQNTKUZDBOID-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001700855405 1177166105 /nfs/dbraw/zinc/16/61/05/1177166105.db2.gz XTGCTYCYBYUMFQ-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C=CCCCCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001714960765 1179477104 /nfs/dbraw/zinc/47/71/04/1179477104.db2.gz QXIVPLAJIHSUDC-UHFFFAOYSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001715014367 1179510676 /nfs/dbraw/zinc/51/06/76/1179510676.db2.gz MAMFICOBKTZUBJ-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001715014367 1179510684 /nfs/dbraw/zinc/51/06/84/1179510684.db2.gz MAMFICOBKTZUBJ-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715832997 1179857288 /nfs/dbraw/zinc/85/72/88/1179857288.db2.gz GVQLBAWCXZCWHK-ONEGZZNKSA-N 2 2 270.336 1.625 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716405711 1180190086 /nfs/dbraw/zinc/19/00/86/1180190086.db2.gz QFPNPAQPLSRUHS-GFCCVEGCSA-N 2 2 261.369 1.901 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716494513 1180253494 /nfs/dbraw/zinc/25/34/94/1180253494.db2.gz GFCZOQBWNNNWER-BFHYXJOUSA-N 2 2 290.411 1.536 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716494513 1180253498 /nfs/dbraw/zinc/25/34/98/1180253498.db2.gz GFCZOQBWNNNWER-BFHYXJOUSA-N 2 2 290.411 1.536 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716497171 1180253902 /nfs/dbraw/zinc/25/39/02/1180253902.db2.gz IMEFIAPXQHDHTG-CHWSQXEVSA-N 2 2 264.373 1.457 10 30 CDEELP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001716851990 1180441164 /nfs/dbraw/zinc/44/11/64/1180441164.db2.gz WTCZUQWWEVBINX-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001716851990 1180441166 /nfs/dbraw/zinc/44/11/66/1180441166.db2.gz WTCZUQWWEVBINX-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001716851990 1180441171 /nfs/dbraw/zinc/44/11/71/1180441171.db2.gz WTCZUQWWEVBINX-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001716851990 1180441173 /nfs/dbraw/zinc/44/11/73/1180441173.db2.gz WTCZUQWWEVBINX-XJKSGUPXSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001716989511 1180494383 /nfs/dbraw/zinc/49/43/83/1180494383.db2.gz SUEZWSVFBAAPBM-QWHCGFSZSA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001717412676 1180659835 /nfs/dbraw/zinc/65/98/35/1180659835.db2.gz JSRDNIFUCSPYGM-MNOVXSKESA-N 2 2 250.346 1.011 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001717412676 1180659838 /nfs/dbraw/zinc/65/98/38/1180659838.db2.gz JSRDNIFUCSPYGM-MNOVXSKESA-N 2 2 250.346 1.011 10 30 CDEELP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001717734176 1180818004 /nfs/dbraw/zinc/81/80/04/1180818004.db2.gz YHHMUOWEEMXSJR-CQSZACIVSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001731634895 1182493352 /nfs/dbraw/zinc/49/33/52/1182493352.db2.gz SAHUKIITNSGNDV-NEPJUHHUSA-N 2 2 278.400 1.710 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001732542138 1183001274 /nfs/dbraw/zinc/00/12/74/1183001274.db2.gz DDCAOVSTJZHYRQ-GXTWGEPZSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001732961990 1183207352 /nfs/dbraw/zinc/20/73/52/1183207352.db2.gz VEPJBYRUVFGFQT-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001734483190 1183796664 /nfs/dbraw/zinc/79/66/64/1183796664.db2.gz LNXWPARXEIRSLL-ZIAGYGMSSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001750932329 1184783456 /nfs/dbraw/zinc/78/34/56/1184783456.db2.gz IGHCQYZQKXLDQC-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@@H+]1C ZINC000929783670 723651993 /nfs/dbraw/zinc/65/19/93/723651993.db2.gz XXUIDSOIPJSCPC-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@H+]1C ZINC000929783670 723651996 /nfs/dbraw/zinc/65/19/96/723651996.db2.gz XXUIDSOIPJSCPC-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cncc(C#N)c2)CC[NH+]1C ZINC000929783670 723652005 /nfs/dbraw/zinc/65/20/05/723652005.db2.gz XXUIDSOIPJSCPC-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)CC[NH+]1C ZINC000929783670 723652008 /nfs/dbraw/zinc/65/20/08/723652008.db2.gz XXUIDSOIPJSCPC-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C#CC[C@@H](COC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000863589686 723338038 /nfs/dbraw/zinc/33/80/38/723338038.db2.gz VAJNWGPNDIXIHL-DLBZAZTESA-N 2 2 290.407 1.107 10 30 CDEELP C#CC[C@@H](COC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000863589686 723338044 /nfs/dbraw/zinc/33/80/44/723338044.db2.gz VAJNWGPNDIXIHL-DLBZAZTESA-N 2 2 290.407 1.107 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001566858663 1168446666 /nfs/dbraw/zinc/44/66/66/1168446666.db2.gz HLAHJEBBMHDVDF-TXEJJXNPSA-N 2 2 262.357 1.074 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001483651113 912280600 /nfs/dbraw/zinc/28/06/00/912280600.db2.gz LRTZKVIWJBGRTF-KGLIPLIRSA-N 2 2 290.411 1.773 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001483651113 912280614 /nfs/dbraw/zinc/28/06/14/912280614.db2.gz LRTZKVIWJBGRTF-KGLIPLIRSA-N 2 2 290.411 1.773 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@@H](F)CC ZINC001266394483 894668559 /nfs/dbraw/zinc/66/85/59/894668559.db2.gz RIVLXMQSOPURFV-GJZGRUSLSA-N 2 2 297.418 1.270 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C[C@@H](F)CC ZINC001266394483 894668569 /nfs/dbraw/zinc/66/85/69/894668569.db2.gz RIVLXMQSOPURFV-GJZGRUSLSA-N 2 2 297.418 1.270 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H](F)CC ZINC001266394483 894668577 /nfs/dbraw/zinc/66/85/77/894668577.db2.gz RIVLXMQSOPURFV-GJZGRUSLSA-N 2 2 297.418 1.270 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C[C@@H](F)CC ZINC001266394483 894668581 /nfs/dbraw/zinc/66/85/81/894668581.db2.gz RIVLXMQSOPURFV-GJZGRUSLSA-N 2 2 297.418 1.270 10 30 CDEELP C=C(C)C[N@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266421109 894791292 /nfs/dbraw/zinc/79/12/92/894791292.db2.gz SGHXROVVFXFLLM-AWEZNQCLSA-N 2 2 278.400 1.848 10 30 CDEELP C=C(C)C[N@@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266421109 894791299 /nfs/dbraw/zinc/79/12/99/894791299.db2.gz SGHXROVVFXFLLM-AWEZNQCLSA-N 2 2 278.400 1.848 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266458840 894974569 /nfs/dbraw/zinc/97/45/69/894974569.db2.gz DJAZXGHTKPXIJY-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266458840 894974577 /nfs/dbraw/zinc/97/45/77/894974577.db2.gz DJAZXGHTKPXIJY-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266458840 894974586 /nfs/dbraw/zinc/97/45/86/894974586.db2.gz DJAZXGHTKPXIJY-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266458840 894974594 /nfs/dbraw/zinc/97/45/94/894974594.db2.gz DJAZXGHTKPXIJY-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266847844 896176856 /nfs/dbraw/zinc/17/68/56/896176856.db2.gz AQBKUBBRHXTNMP-LBPRGKRZSA-N 2 2 284.791 1.635 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001267377599 897773670 /nfs/dbraw/zinc/77/36/70/897773670.db2.gz QEAXGZNGFLNJIG-OAHLLOKOSA-N 2 2 298.390 1.975 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268007682 900268894 /nfs/dbraw/zinc/26/88/94/900268894.db2.gz FVWKSNFAGZDQNH-LBPRGKRZSA-N 2 2 264.373 1.260 10 30 CDEELP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001272662471 914541206 /nfs/dbraw/zinc/54/12/06/914541206.db2.gz JWODKTDRZGEMSP-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001268203846 901562285 /nfs/dbraw/zinc/56/22/85/901562285.db2.gz COJQKKFKTNHHAU-UHFFFAOYSA-N 2 2 290.411 1.630 10 30 CDEELP C=CC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001268203846 901562293 /nfs/dbraw/zinc/56/22/93/901562293.db2.gz COJQKKFKTNHHAU-UHFFFAOYSA-N 2 2 290.411 1.630 10 30 CDEELP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001268295307 901774564 /nfs/dbraw/zinc/77/45/64/901774564.db2.gz RPZBYSIPEVPRLI-CABCVRRESA-N 2 2 288.395 1.171 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001482424279 905351937 /nfs/dbraw/zinc/35/19/37/905351937.db2.gz RIFOZVAFJUECQR-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001482424279 905351951 /nfs/dbraw/zinc/35/19/51/905351951.db2.gz RIFOZVAFJUECQR-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001483448368 911131162 /nfs/dbraw/zinc/13/11/62/911131162.db2.gz VELRPISCKAIVIL-UONOGXRCSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485533149 917072640 /nfs/dbraw/zinc/07/26/40/917072640.db2.gz OJLOMDFELVGPNR-QWHCGFSZSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001485533149 917072653 /nfs/dbraw/zinc/07/26/53/917072653.db2.gz OJLOMDFELVGPNR-QWHCGFSZSA-N 2 2 299.846 1.517 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000842877140 937087685 /nfs/dbraw/zinc/08/76/85/937087685.db2.gz VSZUJRIPESQQBA-AWEZNQCLSA-N 2 2 274.412 1.825 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000842877140 937087688 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C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001280523722 942457364 /nfs/dbraw/zinc/45/73/64/942457364.db2.gz VGUFFCQJEJILED-ZDUSSCGKSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001280523722 942457369 /nfs/dbraw/zinc/45/73/69/942457369.db2.gz VGUFFCQJEJILED-ZDUSSCGKSA-N 2 2 290.411 1.793 10 30 CDEELP CC#CC[NH2+]CCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001330875759 942655073 /nfs/dbraw/zinc/65/50/73/942655073.db2.gz PDFUEXNHYMYWMS-AWEZNQCLSA-N 2 2 290.411 1.251 10 30 CDEELP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001283110235 942824328 /nfs/dbraw/zinc/82/43/28/942824328.db2.gz AYVAKSQYUDRRNQ-SHTZXODSSA-N 2 2 288.395 1.171 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284031433 943057030 /nfs/dbraw/zinc/05/70/30/943057030.db2.gz JSJHGPCAODUBPV-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001265998339 944622187 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CDEELP N#C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000407989952 260153071 /nfs/dbraw/zinc/15/30/71/260153071.db2.gz MEHKJJHABQHVJD-CHWSQXEVSA-N 2 2 259.357 1.220 10 30 CDEELP C[C@H](CCC#N)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000411286311 262687006 /nfs/dbraw/zinc/68/70/06/262687006.db2.gz VZEQOEXGGSFJFF-CYBMUJFWSA-N 2 2 288.399 1.357 10 30 CDEELP C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342059004 263384474 /nfs/dbraw/zinc/38/44/74/263384474.db2.gz QMWXGJUSJUNLFA-AWEZNQCLSA-N 2 2 281.444 1.731 10 30 CDEELP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000186698554 327700117 /nfs/dbraw/zinc/70/01/17/327700117.db2.gz NCADTBNXXRGUBE-LBPRGKRZSA-N 2 2 280.334 1.930 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267701565 1159571930 /nfs/dbraw/zinc/57/19/30/1159571930.db2.gz UXXMXJLBDSKGDB-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001268374646 1159911368 /nfs/dbraw/zinc/91/13/68/1159911368.db2.gz KFAVCROFBXJMJH-CYBMUJFWSA-N 2 2 289.379 1.140 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691523973 1160304867 /nfs/dbraw/zinc/30/48/67/1160304867.db2.gz TXJQHEFAVAMOAI-MGPQQGTHSA-N 2 2 276.384 1.505 10 30 CDEELP CC(C)[NH2+][C@](C#N)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000069083845 519738790 /nfs/dbraw/zinc/73/87/90/519738790.db2.gz BMMNRJJQASSTIY-OAHLLOKOSA-N 2 2 266.433 1.540 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716498389 1180254037 /nfs/dbraw/zinc/25/40/37/1180254037.db2.gz QVNTZDZUWBKAOR-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716498389 1180254042 /nfs/dbraw/zinc/25/40/42/1180254042.db2.gz QVNTZDZUWBKAOR-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716498389 1180254046 /nfs/dbraw/zinc/25/40/46/1180254046.db2.gz QVNTZDZUWBKAOR-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716498389 1180254051 /nfs/dbraw/zinc/25/40/51/1180254051.db2.gz QVNTZDZUWBKAOR-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP CCC[NH2+][C@@](C#N)(CN(CCC)CC[NH+](C)C)C1CC1 ZINC000069081395 520028534 /nfs/dbraw/zinc/02/85/34/520028534.db2.gz TXESYCNGYAMJBY-INIZCTEOSA-N 2 2 280.460 1.932 10 30 CDEELP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000179633379 535965543 /nfs/dbraw/zinc/96/55/43/535965543.db2.gz TWAYELDXEWXRGM-CQSZACIVSA-N 2 2 283.379 1.589 10 30 CDEELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000179633379 535965549 /nfs/dbraw/zinc/96/55/49/535965549.db2.gz TWAYELDXEWXRGM-CQSZACIVSA-N 2 2 283.379 1.589 10 30 CDEELP C[NH+](C)C[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000179633379 535965551 /nfs/dbraw/zinc/96/55/51/535965551.db2.gz TWAYELDXEWXRGM-CQSZACIVSA-N 2 2 283.379 1.589 10 30 CDEELP N#CCOc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000735308886 575455201 /nfs/dbraw/zinc/45/52/01/575455201.db2.gz XEEZIQRGMZNKFO-BETUJISGSA-N 2 2 291.782 1.894 10 30 CDEELP N#CCOc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000735308886 575455202 /nfs/dbraw/zinc/45/52/02/575455202.db2.gz XEEZIQRGMZNKFO-BETUJISGSA-N 2 2 291.782 1.894 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941125892 613744725 /nfs/dbraw/zinc/74/47/25/613744725.db2.gz HQKUNKYIRVGSLU-GFCCVEGCSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941125892 613744726 /nfs/dbraw/zinc/74/47/26/613744726.db2.gz HQKUNKYIRVGSLU-GFCCVEGCSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001772542574 1158828259 /nfs/dbraw/zinc/82/82/59/1158828259.db2.gz KOZWFXJZXUBNPJ-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691173118 1158944234 /nfs/dbraw/zinc/94/42/34/1158944234.db2.gz BYEVTBPOKUCWCQ-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691173118 1158944236 /nfs/dbraw/zinc/94/42/36/1158944236.db2.gz BYEVTBPOKUCWCQ-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000876727553 695889438 /nfs/dbraw/zinc/88/94/38/695889438.db2.gz NHPPNONQKLJJLY-LBPRGKRZSA-N 2 2 296.802 1.348 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855166261 695890757 /nfs/dbraw/zinc/89/07/57/695890757.db2.gz HGRSOUJGSKVZNW-KBPBESRZSA-N 2 2 277.412 1.073 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000855166261 695890758 /nfs/dbraw/zinc/89/07/58/695890758.db2.gz HGRSOUJGSKVZNW-KBPBESRZSA-N 2 2 277.412 1.073 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000855166261 695890759 /nfs/dbraw/zinc/89/07/59/695890759.db2.gz HGRSOUJGSKVZNW-KBPBESRZSA-N 2 2 277.412 1.073 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000855166261 695890761 /nfs/dbraw/zinc/89/07/61/695890761.db2.gz HGRSOUJGSKVZNW-KBPBESRZSA-N 2 2 277.412 1.073 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691403090 1159056131 /nfs/dbraw/zinc/05/61/31/1159056131.db2.gz XWOJSCMOHWBCRN-AWEZNQCLSA-N 2 2 290.411 1.725 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691403090 1159056138 /nfs/dbraw/zinc/05/61/38/1159056138.db2.gz XWOJSCMOHWBCRN-AWEZNQCLSA-N 2 2 290.411 1.725 10 30 CDEELP C#CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001566591563 1168348950 /nfs/dbraw/zinc/34/89/50/1168348950.db2.gz BWCVDIWZBGBGEP-UHFFFAOYSA-N 2 2 296.374 1.552 10 30 CDEELP C#CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001566591563 1168348957 /nfs/dbraw/zinc/34/89/57/1168348957.db2.gz BWCVDIWZBGBGEP-UHFFFAOYSA-N 2 2 296.374 1.552 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001569611421 1169936536 /nfs/dbraw/zinc/93/65/36/1169936536.db2.gz XISBOGFPYAQFKS-HNNXBMFYSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001569815299 1170003928 /nfs/dbraw/zinc/00/39/28/1170003928.db2.gz DTOVHZPICCZESN-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001570374290 1170146932 /nfs/dbraw/zinc/14/69/32/1170146932.db2.gz MOJHKUFYEPBBBO-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001570374290 1170146934 /nfs/dbraw/zinc/14/69/34/1170146934.db2.gz MOJHKUFYEPBBBO-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001570543417 1170185971 /nfs/dbraw/zinc/18/59/71/1170185971.db2.gz HRXGMGAAVMPMEM-CYBMUJFWSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001570543417 1170185975 /nfs/dbraw/zinc/18/59/75/1170185975.db2.gz HRXGMGAAVMPMEM-CYBMUJFWSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001661827708 1172452958 /nfs/dbraw/zinc/45/29/58/1172452958.db2.gz OJCABMZMRUIZBV-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)CCc1[nH+]ccn1C ZINC001665822543 1173066979 /nfs/dbraw/zinc/06/69/79/1173066979.db2.gz FPICFTCQCYYAIE-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C#CCC[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001690387585 1175457705 /nfs/dbraw/zinc/45/77/05/1175457705.db2.gz RXBUBZOOJRLKHP-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001690387585 1175457708 /nfs/dbraw/zinc/45/77/08/1175457708.db2.gz RXBUBZOOJRLKHP-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001690741383 1175562026 /nfs/dbraw/zinc/56/20/26/1175562026.db2.gz PGMCRVVXPPUCSA-LSDHHAIUSA-N 2 2 288.395 1.296 10 30 CDEELP C#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001692031143 1175666760 /nfs/dbraw/zinc/66/67/60/1175666760.db2.gz RAVGTIHBZODVEJ-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1CC ZINC001692031143 1175666765 /nfs/dbraw/zinc/66/67/65/1175666765.db2.gz RAVGTIHBZODVEJ-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001699584126 1176484593 /nfs/dbraw/zinc/48/45/93/1176484593.db2.gz REVLAADMOISSBK-ZDUSSCGKSA-N 2 2 284.363 1.618 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001699719217 1176585488 /nfs/dbraw/zinc/58/54/88/1176585488.db2.gz XTPWEMWNFXPHCY-CQSZACIVSA-N 2 2 290.411 1.771 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001700135053 1176764914 /nfs/dbraw/zinc/76/49/14/1176764914.db2.gz YGWQKQDGDXDKEU-UHFFFAOYSA-N 2 2 296.374 1.600 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001700324670 1176851063 /nfs/dbraw/zinc/85/10/63/1176851063.db2.gz XVKDXLZWQYHFPV-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001700324670 1176851073 /nfs/dbraw/zinc/85/10/73/1176851073.db2.gz XVKDXLZWQYHFPV-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001700855407 1177166076 /nfs/dbraw/zinc/16/60/76/1177166076.db2.gz XTGCTYCYBYUMFQ-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001714119497 1178981652 /nfs/dbraw/zinc/98/16/52/1178981652.db2.gz IQAIZZCHJCJBOK-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714156313 1178994504 /nfs/dbraw/zinc/99/45/04/1178994504.db2.gz NTCIAHVRZXCAJD-OCCSQVGLSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714156313 1178994507 /nfs/dbraw/zinc/99/45/07/1178994507.db2.gz NTCIAHVRZXCAJD-OCCSQVGLSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@H](C)CCC=C)C1 ZINC001714938693 1179465876 /nfs/dbraw/zinc/46/58/76/1179465876.db2.gz UHVGUKIVUDVBKV-ZBFHGGJFSA-N 2 2 289.423 1.239 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@H](C)CCC=C)C1 ZINC001714938693 1179465880 /nfs/dbraw/zinc/46/58/80/1179465880.db2.gz UHVGUKIVUDVBKV-ZBFHGGJFSA-N 2 2 289.423 1.239 10 30 CDEELP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001715839917 1179862100 /nfs/dbraw/zinc/86/21/00/1179862100.db2.gz VFFBNQCCMNIUIV-WSNITJDQSA-N 2 2 288.395 1.284 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001723824688 1181607665 /nfs/dbraw/zinc/60/76/65/1181607665.db2.gz BNPJMBYNJZTANI-CYBMUJFWSA-N 2 2 276.384 1.380 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001724980177 1181814389 /nfs/dbraw/zinc/81/43/89/1181814389.db2.gz SKNCSDMSGACXNX-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001724980177 1181814393 /nfs/dbraw/zinc/81/43/93/1181814393.db2.gz SKNCSDMSGACXNX-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001724980178 1181815326 /nfs/dbraw/zinc/81/53/26/1181815326.db2.gz SKNCSDMSGACXNX-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001724980178 1181815328 /nfs/dbraw/zinc/81/53/28/1181815328.db2.gz SKNCSDMSGACXNX-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCCC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001725269922 1181946430 /nfs/dbraw/zinc/94/64/30/1181946430.db2.gz YTNHGWNYPREACO-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001725470394 1182011258 /nfs/dbraw/zinc/01/12/58/1182011258.db2.gz ZYIRNASJSYPPTP-ZDUSSCGKSA-N 2 2 276.384 1.355 10 30 CDEELP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001725635618 1182079733 /nfs/dbraw/zinc/07/97/33/1182079733.db2.gz JGFQUCJTUFMLIT-KBPBESRZSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001725635618 1182079738 /nfs/dbraw/zinc/07/97/38/1182079738.db2.gz JGFQUCJTUFMLIT-KBPBESRZSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001731877933 1182646025 /nfs/dbraw/zinc/64/60/25/1182646025.db2.gz PKDCYJWZHNSEII-CYBMUJFWSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001731877933 1182646030 /nfs/dbraw/zinc/64/60/30/1182646030.db2.gz PKDCYJWZHNSEII-CYBMUJFWSA-N 2 2 288.395 1.212 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001732802611 1183130450 /nfs/dbraw/zinc/13/04/50/1183130450.db2.gz PMKBOSBJSNKLIP-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001732802611 1183130454 /nfs/dbraw/zinc/13/04/54/1183130454.db2.gz PMKBOSBJSNKLIP-CYBMUJFWSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733674708 1183494454 /nfs/dbraw/zinc/49/44/54/1183494454.db2.gz TVQYUONQLFZZCY-LBPRGKRZSA-N 2 2 296.802 1.533 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001734019190 1183615748 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C=CCC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268483116 902313213 /nfs/dbraw/zinc/31/32/13/902313213.db2.gz FPVSTEJFSANJQU-MRXNPFEDSA-N 2 2 293.455 1.873 10 30 CDEELP C=CC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001482010703 902464757 /nfs/dbraw/zinc/46/47/57/902464757.db2.gz UHRXQBXEVRNWII-UHFFFAOYSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001284155151 902520935 /nfs/dbraw/zinc/52/09/35/902520935.db2.gz SWHSMVJCUXZXEE-UKRRQHHQSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001284155151 902520946 /nfs/dbraw/zinc/52/09/46/902520946.db2.gz SWHSMVJCUXZXEE-UKRRQHHQSA-N 2 2 290.411 1.508 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001482121020 902663383 /nfs/dbraw/zinc/66/33/83/902663383.db2.gz JIBMVOMPDCFAOI-CYBMUJFWSA-N 2 2 284.363 1.313 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268861358 903187006 /nfs/dbraw/zinc/18/70/06/903187006.db2.gz UFOPEGIGZDEIDI-UHFFFAOYSA-N 2 2 270.764 1.143 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001269356910 903728502 /nfs/dbraw/zinc/72/85/02/903728502.db2.gz WLWAKSYSKDARNM-AWEZNQCLSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001269356910 903728511 /nfs/dbraw/zinc/72/85/11/903728511.db2.gz WLWAKSYSKDARNM-AWEZNQCLSA-N 2 2 290.411 1.760 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001271021435 905561801 /nfs/dbraw/zinc/56/18/01/905561801.db2.gz MYAOPMHEWIPTGR-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001482558689 907062282 /nfs/dbraw/zinc/06/22/82/907062282.db2.gz GBFVYCSOBWBRBB-ZFWWWQNUSA-N 2 2 290.411 1.342 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001482558689 907062295 /nfs/dbraw/zinc/06/22/95/907062295.db2.gz GBFVYCSOBWBRBB-ZFWWWQNUSA-N 2 2 290.411 1.342 10 30 CDEELP C=C(C)C[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001568099381 1169135996 /nfs/dbraw/zinc/13/59/96/1169135996.db2.gz KVTWJGIYFCRKHA-UHFFFAOYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001491059917 936847339 /nfs/dbraw/zinc/84/73/39/936847339.db2.gz DQKQRCNZDBRITP-MELADBBJSA-N 2 2 276.384 1.647 10 30 CDEELP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001491234942 936881159 /nfs/dbraw/zinc/88/11/59/936881159.db2.gz PLQNMQRFTHLORN-CQSZACIVSA-N 2 2 290.411 1.807 10 30 CDEELP N#Cc1ccc([C@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931513734 933581100 /nfs/dbraw/zinc/58/11/00/933581100.db2.gz GNILZKGAMFPAJT-QGZVFWFLSA-N 2 2 294.358 1.627 10 30 CDEELP C#CCC[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568683441 1169428555 /nfs/dbraw/zinc/42/85/55/1169428555.db2.gz VUEVGQYADZWSBY-UONOGXRCSA-N 2 2 276.384 1.342 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281941264 942635970 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299.846 1.827 10 30 CDEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284956481 943300259 /nfs/dbraw/zinc/30/02/59/943300259.db2.gz FQJPUAVDWHJWBT-AWEZNQCLSA-N 2 2 299.846 1.827 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001263968705 944049197 /nfs/dbraw/zinc/04/91/97/944049197.db2.gz NBZAHFNVHPUQGF-UHFFFAOYSA-N 2 2 290.411 1.699 10 30 CDEELP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265119855 944238972 /nfs/dbraw/zinc/23/89/72/944238972.db2.gz SKLDHPQFJWSUET-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265119855 944238979 /nfs/dbraw/zinc/23/89/79/944238979.db2.gz SKLDHPQFJWSUET-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265654018 944458975 /nfs/dbraw/zinc/45/89/75/944458975.db2.gz MAJSBQKTNBDKMJ-CABCVRRESA-N 2 2 288.395 1.438 10 30 CDEELP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265654018 944458977 /nfs/dbraw/zinc/45/89/77/944458977.db2.gz MAJSBQKTNBDKMJ-CABCVRRESA-N 2 2 288.395 1.438 10 30 CDEELP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266103790 944683962 /nfs/dbraw/zinc/68/39/62/944683962.db2.gz XSAOJYJEYGFZGU-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266103790 944683971 /nfs/dbraw/zinc/68/39/71/944683971.db2.gz XSAOJYJEYGFZGU-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266103790 944683977 /nfs/dbraw/zinc/68/39/77/944683977.db2.gz XSAOJYJEYGFZGU-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266103790 944683986 /nfs/dbraw/zinc/68/39/86/944683986.db2.gz XSAOJYJEYGFZGU-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001479729810 971386399 /nfs/dbraw/zinc/38/63/99/971386399.db2.gz KKKYTBGNHNHJML-PVAVHDDUSA-N 2 2 299.418 1.502 10 30 CDEELP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001479729810 971386405 /nfs/dbraw/zinc/38/64/05/971386405.db2.gz KKKYTBGNHNHJML-PVAVHDDUSA-N 2 2 299.418 1.502 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001480233400 971640490 /nfs/dbraw/zinc/64/04/90/971640490.db2.gz ZRVYWQBEQMHSQZ-MCIONIFRSA-N 2 2 290.411 1.554 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001480381927 971695788 /nfs/dbraw/zinc/69/57/88/971695788.db2.gz GCZJSKLBBLCOFS-CHWSQXEVSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001480381927 971695791 /nfs/dbraw/zinc/69/57/91/971695791.db2.gz GCZJSKLBBLCOFS-CHWSQXEVSA-N 2 2 276.384 1.355 10 30 CDEELP CC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480487849 971751024 /nfs/dbraw/zinc/75/10/24/971751024.db2.gz ZDIHXSXAMZVQSW-LBPRGKRZSA-N 2 2 276.384 1.044 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001480774759 971872714 /nfs/dbraw/zinc/87/27/14/971872714.db2.gz PCOGFURHRSMIKL-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001325524047 953946450 /nfs/dbraw/zinc/94/64/50/953946450.db2.gz CNXRAIKBBYSSOM-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001325524047 953946457 /nfs/dbraw/zinc/94/64/57/953946457.db2.gz CNXRAIKBBYSSOM-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001492437426 955883390 /nfs/dbraw/zinc/88/33/90/955883390.db2.gz CNIXWXIOZLOHQL-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001492437426 955883408 /nfs/dbraw/zinc/88/34/08/955883408.db2.gz CNIXWXIOZLOHQL-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001316953786 957149611 /nfs/dbraw/zinc/14/96/11/957149611.db2.gz NRTYWBAQLYQBFH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001316953786 957149617 /nfs/dbraw/zinc/14/96/17/957149617.db2.gz NRTYWBAQLYQBFH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001316953786 957149625 /nfs/dbraw/zinc/14/96/25/957149625.db2.gz NRTYWBAQLYQBFH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001316953786 957149633 /nfs/dbraw/zinc/14/96/33/957149633.db2.gz NRTYWBAQLYQBFH-QGZVFWFLSA-N 2 2 299.418 1.332 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317115715 957282492 /nfs/dbraw/zinc/28/24/92/957282492.db2.gz UCIWGHUTAJGYEM-MELADBBJSA-N 2 2 288.395 1.258 10 30 CDEELP CC#CC[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318176288 957955022 /nfs/dbraw/zinc/95/50/22/957955022.db2.gz MTYDMURYUUSABA-KRWDZBQOSA-N 2 2 299.418 1.361 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480795824 957977159 /nfs/dbraw/zinc/97/71/59/957977159.db2.gz WZVZSTSJMSIWSF-QWHCGFSZSA-N 2 2 264.373 1.505 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001318215322 957982172 /nfs/dbraw/zinc/98/21/72/957982172.db2.gz MOFMRADKQLWJSE-QEJZJMRPSA-N 2 2 288.395 1.592 10 30 CDEELP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001318215322 957982180 /nfs/dbraw/zinc/98/21/80/957982180.db2.gz MOFMRADKQLWJSE-QEJZJMRPSA-N 2 2 288.395 1.592 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001319379192 958527809 /nfs/dbraw/zinc/52/78/09/958527809.db2.gz MCMXHHUHQUMQEH-UHFFFAOYSA-N 2 2 262.357 1.157 10 30 CDEELP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319778521 958724541 /nfs/dbraw/zinc/72/45/41/958724541.db2.gz MNNQWWGFKMFKLL-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001322372532 960197172 /nfs/dbraw/zinc/19/71/72/960197172.db2.gz SJCLKLXGYUTYJQ-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001323022650 960411252 /nfs/dbraw/zinc/41/12/52/960411252.db2.gz QKHSJZARAHCOHZ-KBPBESRZSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001324175300 961218752 /nfs/dbraw/zinc/21/87/52/961218752.db2.gz LWQLQVPEFUDMMC-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001324175300 961218760 /nfs/dbraw/zinc/21/87/60/961218760.db2.gz LWQLQVPEFUDMMC-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439220671 963682270 /nfs/dbraw/zinc/68/22/70/963682270.db2.gz CGSSWGRYBHDERO-RYUDHWBXSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001371620773 972568838 /nfs/dbraw/zinc/56/88/38/972568838.db2.gz SFHRPHGZPHGQSQ-LBPRGKRZSA-N 2 2 282.775 1.074 10 30 CDEELP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001498313113 973825532 /nfs/dbraw/zinc/82/55/32/973825532.db2.gz ZRZJHNVSCGCTSK-CABCVRRESA-N 2 2 290.411 1.540 10 30 CDEELP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001498313113 973825539 /nfs/dbraw/zinc/82/55/39/973825539.db2.gz ZRZJHNVSCGCTSK-CABCVRRESA-N 2 2 290.411 1.540 10 30 CDEELP C=CCC[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001506674224 975201237 /nfs/dbraw/zinc/20/12/37/975201237.db2.gz WLRVTHCRVDEZDL-CYBMUJFWSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001399903334 976736573 /nfs/dbraw/zinc/73/65/73/976736573.db2.gz RICRNVHSSGQIKS-ZDUSSCGKSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001399903334 976736581 /nfs/dbraw/zinc/73/65/81/976736581.db2.gz RICRNVHSSGQIKS-ZDUSSCGKSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001399903334 976736585 /nfs/dbraw/zinc/73/65/85/976736585.db2.gz RICRNVHSSGQIKS-ZDUSSCGKSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001399903334 976736593 /nfs/dbraw/zinc/73/65/93/976736593.db2.gz RICRNVHSSGQIKS-ZDUSSCGKSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404100403 977336469 /nfs/dbraw/zinc/33/64/69/977336469.db2.gz JGGPKNXZGJEHFZ-LBPRGKRZSA-N 2 2 282.775 1.074 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404100403 977336477 /nfs/dbraw/zinc/33/64/77/977336477.db2.gz JGGPKNXZGJEHFZ-LBPRGKRZSA-N 2 2 282.775 1.074 10 30 CDEELP C#CC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001675135234 1174079624 /nfs/dbraw/zinc/07/96/24/1174079624.db2.gz NPYOJRYAZJAJDL-AWEZNQCLSA-N 2 2 276.384 1.048 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001676440056 1174226470 /nfs/dbraw/zinc/22/64/70/1174226470.db2.gz MANZYSKUYQDJEV-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001570198578 1170110458 /nfs/dbraw/zinc/11/04/58/1170110458.db2.gz DCDADFGYRGURKQ-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001570198578 1170110460 /nfs/dbraw/zinc/11/04/60/1170110460.db2.gz DCDADFGYRGURKQ-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001570198578 1170110462 /nfs/dbraw/zinc/11/04/62/1170110462.db2.gz DCDADFGYRGURKQ-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001570198578 1170110464 /nfs/dbraw/zinc/11/04/64/1170110464.db2.gz DCDADFGYRGURKQ-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C[C@@H]1CCC[N@H+](Cc2ccncc2C#N)[C@@H]1CC[NH3+] ZINC000593735020 342830995 /nfs/dbraw/zinc/83/09/95/342830995.db2.gz UPQCYDLMDDYNIR-IUODEOHRSA-N 2 2 258.369 1.903 10 30 CDEELP C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)[C@@H]1CC[NH3+] ZINC000593735020 342830997 /nfs/dbraw/zinc/83/09/97/342830997.db2.gz UPQCYDLMDDYNIR-IUODEOHRSA-N 2 2 258.369 1.903 10 30 CDEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)o1 ZINC000371470503 282211174 /nfs/dbraw/zinc/21/11/74/282211174.db2.gz LXJKWDRQFNGOTO-DAXOMENPSA-N 2 2 289.379 1.835 10 30 CDEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)o1 ZINC000371470503 282211175 /nfs/dbraw/zinc/21/11/75/282211175.db2.gz LXJKWDRQFNGOTO-DAXOMENPSA-N 2 2 289.379 1.835 10 30 CDEELP N#Cc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000596654515 343372107 /nfs/dbraw/zinc/37/21/07/343372107.db2.gz PXIHQSOTKQKLRF-DSSZZKGTSA-N 2 2 253.349 1.887 10 30 CDEELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)cc1F ZINC000600711362 349876952 /nfs/dbraw/zinc/87/69/52/349876952.db2.gz SITVTIBBIQRNQB-LLVKDONJSA-N 2 2 277.343 1.856 10 30 CDEELP C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765152 345964071 /nfs/dbraw/zinc/96/40/71/345964071.db2.gz VUCWPLMIZIXFPV-HNNXBMFYSA-N 2 2 269.433 1.588 10 30 CDEELP C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765152 345964073 /nfs/dbraw/zinc/96/40/73/345964073.db2.gz VUCWPLMIZIXFPV-HNNXBMFYSA-N 2 2 269.433 1.588 10 30 CDEELP Cn1cc[nH+]c1CN1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093132051 360290401 /nfs/dbraw/zinc/29/04/01/360290401.db2.gz OCROCFOMCHBEAS-UHFFFAOYSA-N 2 2 289.427 1.868 10 30 CDEELP C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000528424837 367839130 /nfs/dbraw/zinc/83/91/30/367839130.db2.gz NNTZXJLKJZEYOK-KFWWJZLASA-N 2 2 288.395 1.821 10 30 CDEELP C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000528424837 367839137 /nfs/dbraw/zinc/83/91/37/367839137.db2.gz NNTZXJLKJZEYOK-KFWWJZLASA-N 2 2 288.395 1.821 10 30 CDEELP N#Cc1csc(C[NH2+]CCC[NH+]2CCCC2)n1 ZINC000352825445 374366305 /nfs/dbraw/zinc/36/63/05/374366305.db2.gz STWQGOGYTPWTPQ-UHFFFAOYSA-N 2 2 250.371 1.590 10 30 CDEELP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247360791 377101724 /nfs/dbraw/zinc/10/17/24/377101724.db2.gz KFZAOCUPJGAEEG-CABCVRRESA-N 2 2 263.385 1.983 10 30 CDEELP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247360791 377101731 /nfs/dbraw/zinc/10/17/31/377101731.db2.gz KFZAOCUPJGAEEG-CABCVRRESA-N 2 2 263.385 1.983 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000655940944 412952706 /nfs/dbraw/zinc/95/27/06/412952706.db2.gz IBKIZHQPNKTHHD-GXTWGEPZSA-N 2 2 261.373 1.038 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000655940944 412952701 /nfs/dbraw/zinc/95/27/01/412952701.db2.gz IBKIZHQPNKTHHD-GXTWGEPZSA-N 2 2 261.373 1.038 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001664241541 1172829889 /nfs/dbraw/zinc/82/98/89/1172829889.db2.gz UNOCDWWAVXJFGN-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001664241541 1172829892 /nfs/dbraw/zinc/82/98/92/1172829892.db2.gz UNOCDWWAVXJFGN-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001665670164 1173034780 /nfs/dbraw/zinc/03/47/80/1173034780.db2.gz CBXXGLXQGVLYNC-HNNXBMFYSA-N 2 2 288.395 1.138 10 30 CDEELP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665691687 1173038966 /nfs/dbraw/zinc/03/89/66/1173038966.db2.gz NNZHIYZBGRLVHA-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665691687 1173038973 /nfs/dbraw/zinc/03/89/73/1173038973.db2.gz NNZHIYZBGRLVHA-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=C(CC)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665062746 413828620 /nfs/dbraw/zinc/82/86/20/413828620.db2.gz HXUYQWJBVUXYGS-UHFFFAOYSA-N 2 2 270.421 1.135 10 30 CDEELP C=C(CC)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665062746 413828626 /nfs/dbraw/zinc/82/86/26/413828626.db2.gz HXUYQWJBVUXYGS-UHFFFAOYSA-N 2 2 270.421 1.135 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000037318630 173119244 /nfs/dbraw/zinc/11/92/44/173119244.db2.gz KMBQLQDMGQVSTG-UHFFFAOYSA-N 3 2 261.413 1.300 10 30 CDEELP CCN1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683561 175091666 /nfs/dbraw/zinc/09/16/66/175091666.db2.gz XPBYXRJYXQPNOX-UHFFFAOYSA-N 2 2 263.410 1.196 10 30 CDEELP [NH3+]CC#Cc1csc(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000043689031 175095921 /nfs/dbraw/zinc/09/59/21/175095921.db2.gz KDACQAQBKDXUGD-UHFFFAOYSA-N 2 2 275.421 1.338 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)Cc1c[nH+]ccc1OC ZINC001665809878 1173065579 /nfs/dbraw/zinc/06/55/79/1173065579.db2.gz NISWQOAPKYENDG-CYBMUJFWSA-N 2 2 277.368 1.303 10 30 CDEELP COC[C@H](C)[N@H+](C)CCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000045314617 175357473 /nfs/dbraw/zinc/35/74/73/175357473.db2.gz CIGPANCAQBMHRR-JSGCOSHPSA-N 2 2 253.390 1.768 10 30 CDEELP COC[C@H](C)[N@@H+](C)CCC[C@@](C)(C#N)[NH2+]C1CC1 ZINC000045314617 175357474 /nfs/dbraw/zinc/35/74/74/175357474.db2.gz CIGPANCAQBMHRR-JSGCOSHPSA-N 2 2 253.390 1.768 10 30 CDEELP C[N@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000045316613 175358337 /nfs/dbraw/zinc/35/83/37/175358337.db2.gz RYXQDQRZXNVINK-LSDHHAIUSA-N 2 2 265.401 1.912 10 30 CDEELP C[N@@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000045316613 175358339 /nfs/dbraw/zinc/35/83/39/175358339.db2.gz RYXQDQRZXNVINK-LSDHHAIUSA-N 2 2 265.401 1.912 10 30 CDEELP COCC[N@H+](CCC#N)Cc1cccc(C#CC[NH3+])c1 ZINC000071228790 176091288 /nfs/dbraw/zinc/09/12/88/176091288.db2.gz CKISTOFFWVAQIB-UHFFFAOYSA-N 2 2 271.364 1.359 10 30 CDEELP COCC[N@@H+](CCC#N)Cc1cccc(C#CC[NH3+])c1 ZINC000071228790 176091290 /nfs/dbraw/zinc/09/12/90/176091290.db2.gz CKISTOFFWVAQIB-UHFFFAOYSA-N 2 2 271.364 1.359 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401021 176153597 /nfs/dbraw/zinc/15/35/97/176153597.db2.gz OXIAMAVHFHYXGY-INIZCTEOSA-N 2 2 287.407 1.797 10 30 CDEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC#N)CC1 ZINC000109753862 262256339 /nfs/dbraw/zinc/25/63/39/262256339.db2.gz QBARSGQULZRCSR-OAHLLOKOSA-N 2 2 264.417 1.392 10 30 CDEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC#N)CC1 ZINC000109753862 262256341 /nfs/dbraw/zinc/25/63/41/262256341.db2.gz QBARSGQULZRCSR-OAHLLOKOSA-N 2 2 264.417 1.392 10 30 CDEELP C=CC[C@]1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000662933193 424564430 /nfs/dbraw/zinc/56/44/30/424564430.db2.gz IEGCGKQVWVCDQQ-SMDDNHRTSA-N 2 2 262.357 1.296 10 30 CDEELP CN1CC[NH+]=C1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000262476910 330016457 /nfs/dbraw/zinc/01/64/57/330016457.db2.gz CGIQHXLYUXJPQQ-UHFFFAOYSA-N 2 2 269.352 1.322 10 30 CDEELP C=CCSCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422946894 330161894 /nfs/dbraw/zinc/16/18/94/330161894.db2.gz PQZROEPUBMFWGT-CHWSQXEVSA-N 2 2 256.415 1.262 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001482568853 1160410884 /nfs/dbraw/zinc/41/08/84/1160410884.db2.gz WYORRXJFCWYSSP-CYBMUJFWSA-N 2 2 264.373 1.177 10 30 CDEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001670864047 1160966764 /nfs/dbraw/zinc/96/67/64/1160966764.db2.gz KZWFZRLUMZPGMJ-LBPRGKRZSA-N 2 2 276.384 1.545 10 30 CDEELP CC(C)N[C@@H](C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000062434962 519733513 /nfs/dbraw/zinc/73/35/13/519733513.db2.gz NRXCBHPSBGXDBF-CYBMUJFWSA-N 2 2 252.406 1.293 10 30 CDEELP C#CC[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000895806747 619854277 /nfs/dbraw/zinc/85/42/77/619854277.db2.gz DBCLCAHGMZBBPA-UHFFFAOYSA-N 2 2 299.422 1.976 10 30 CDEELP C=C(C)C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OCC ZINC000896004028 619946717 /nfs/dbraw/zinc/94/67/17/619946717.db2.gz OTQOWQVIAYRIGB-CQSZACIVSA-N 2 2 268.401 1.816 10 30 CDEELP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001691372518 1159041816 /nfs/dbraw/zinc/04/18/16/1159041816.db2.gz IAEJEDHHVMGSGO-OCCSQVGLSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001565502185 1168152062 /nfs/dbraw/zinc/15/20/62/1168152062.db2.gz GOLBRGIOFOANDU-UHFFFAOYSA-N 2 2 298.390 1.977 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001669821702 1173615128 /nfs/dbraw/zinc/61/51/28/1173615128.db2.gz NUZSZPQBHUMTGQ-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001669821702 1173615131 /nfs/dbraw/zinc/61/51/31/1173615131.db2.gz NUZSZPQBHUMTGQ-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001669821702 1173615135 /nfs/dbraw/zinc/61/51/35/1173615135.db2.gz NUZSZPQBHUMTGQ-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001669821702 1173615140 /nfs/dbraw/zinc/61/51/40/1173615140.db2.gz NUZSZPQBHUMTGQ-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001672228454 1173753621 /nfs/dbraw/zinc/75/36/21/1173753621.db2.gz PVSYWDVZCCPTSE-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001676440056 1174226465 /nfs/dbraw/zinc/22/64/65/1174226465.db2.gz MANZYSKUYQDJEV-ZIAGYGMSSA-N 2 2 292.427 1.991 10 30 CDEELP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690817649 1175579004 /nfs/dbraw/zinc/57/90/04/1175579004.db2.gz RALKZGMACRUIFA-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690817649 1175579008 /nfs/dbraw/zinc/57/90/08/1175579008.db2.gz RALKZGMACRUIFA-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP CC#CC[NH2+]C[C@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001698649050 1175887329 /nfs/dbraw/zinc/88/73/29/1175887329.db2.gz LZMCUHLNBYXFCR-INIZCTEOSA-N 2 2 288.395 1.171 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001698848099 1175961397 /nfs/dbraw/zinc/96/13/97/1175961397.db2.gz LUCUAHDJSZESMC-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001698848099 1175961401 /nfs/dbraw/zinc/96/14/01/1175961401.db2.gz LUCUAHDJSZESMC-CHWSQXEVSA-N 2 2 276.384 1.048 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700928884 1177196856 /nfs/dbraw/zinc/19/68/56/1177196856.db2.gz DFSDWUGKAKGSGK-CHWSQXEVSA-N 2 2 276.384 1.321 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713398192 1178537843 /nfs/dbraw/zinc/53/78/43/1178537843.db2.gz WBPJZVYABKSTJU-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713398192 1178537850 /nfs/dbraw/zinc/53/78/50/1178537850.db2.gz WBPJZVYABKSTJU-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713739721 1178730771 /nfs/dbraw/zinc/73/07/71/1178730771.db2.gz YAMUPROXXQNEKT-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713739721 1178730773 /nfs/dbraw/zinc/73/07/73/1178730773.db2.gz YAMUPROXXQNEKT-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000237733401 1178769713 /nfs/dbraw/zinc/76/97/13/1178769713.db2.gz WULGRLOWJOGAQO-UHFFFAOYSA-N 2 2 273.380 1.526 10 30 CDEELP C=C(C)C[N@H+](CCC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001714658945 1179304915 /nfs/dbraw/zinc/30/49/15/1179304915.db2.gz LRYIHXOUFYSSIN-UHFFFAOYSA-N 2 2 278.400 1.665 10 30 CDEELP C=C(C)C[N@@H+](CCC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001714658945 1179304925 /nfs/dbraw/zinc/30/49/25/1179304925.db2.gz LRYIHXOUFYSSIN-UHFFFAOYSA-N 2 2 278.400 1.665 10 30 CDEELP C=C(C)CC[NH2+]CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001716580858 1180293448 /nfs/dbraw/zinc/29/34/48/1180293448.db2.gz QEZLRDYPDFDDMY-UHFFFAOYSA-N 2 2 278.400 1.665 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001716669276 1180356406 /nfs/dbraw/zinc/35/64/06/1180356406.db2.gz KJNAOKCLFOPFDY-CQSZACIVSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001716669276 1180356413 /nfs/dbraw/zinc/35/64/13/1180356413.db2.gz KJNAOKCLFOPFDY-CQSZACIVSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001724955697 1181807553 /nfs/dbraw/zinc/80/75/53/1181807553.db2.gz GTPNSWLDLBSXTN-CHWSQXEVSA-N 2 2 288.395 1.670 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001724955697 1181807569 /nfs/dbraw/zinc/80/75/69/1181807569.db2.gz GTPNSWLDLBSXTN-CHWSQXEVSA-N 2 2 288.395 1.670 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001725494069 1182023336 /nfs/dbraw/zinc/02/33/36/1182023336.db2.gz GXTDDRWZDDNXBL-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731481753 1182411660 /nfs/dbraw/zinc/41/16/60/1182411660.db2.gz LVRXFCQXLLCBSD-BETUJISGSA-N 2 2 282.347 1.208 10 30 CDEELP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001731560772 1182449107 /nfs/dbraw/zinc/44/91/07/1182449107.db2.gz BNFGTNXRYHKDOR-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001731560772 1182449108 /nfs/dbraw/zinc/44/91/08/1182449108.db2.gz BNFGTNXRYHKDOR-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731600165 1182472222 /nfs/dbraw/zinc/47/22/22/1182472222.db2.gz SXKFDKMVXDQIJL-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731600165 1182472227 /nfs/dbraw/zinc/47/22/27/1182472227.db2.gz SXKFDKMVXDQIJL-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP CC#CC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001732303233 1182899195 /nfs/dbraw/zinc/89/91/95/1182899195.db2.gz LCMNDWHJBSUTKF-UHFFFAOYSA-N 2 2 288.395 1.125 10 30 CDEELP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001732423863 1182958503 /nfs/dbraw/zinc/95/85/03/1182958503.db2.gz VIOXIXATOOJMRO-HUUCEWRRSA-N 2 2 290.411 1.540 10 30 CDEELP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001732706249 1183094594 /nfs/dbraw/zinc/09/45/94/1183094594.db2.gz PCKTYRSXHTWIBN-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001733538045 1183458821 /nfs/dbraw/zinc/45/88/21/1183458821.db2.gz JBKNFLQGSLHHGL-GJZGRUSLSA-N 2 2 290.411 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CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001323016347 960407788 /nfs/dbraw/zinc/40/77/88/960407788.db2.gz WDSAIVZDOVXIHD-MCIONIFRSA-N 2 2 286.379 1.021 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001323016347 960407795 /nfs/dbraw/zinc/40/77/95/960407795.db2.gz WDSAIVZDOVXIHD-MCIONIFRSA-N 2 2 286.379 1.021 10 30 CDEELP C=CCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001340092323 962734211 /nfs/dbraw/zinc/73/42/11/962734211.db2.gz AIXYGQYZFPMXCX-ZDUSSCGKSA-N 2 2 276.384 1.799 10 30 CDEELP C=CCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001340092323 962734225 /nfs/dbraw/zinc/73/42/25/962734225.db2.gz AIXYGQYZFPMXCX-ZDUSSCGKSA-N 2 2 276.384 1.799 10 30 CDEELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001414034046 969877355 /nfs/dbraw/zinc/87/73/55/969877355.db2.gz IPVRMIYJVGAJRY-ZACQAIPSSA-N 2 2 285.391 1.475 10 30 CDEELP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001414034046 969877362 /nfs/dbraw/zinc/87/73/62/969877362.db2.gz IPVRMIYJVGAJRY-ZACQAIPSSA-N 2 2 285.391 1.475 10 30 CDEELP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001414034046 969877371 /nfs/dbraw/zinc/87/73/71/969877371.db2.gz IPVRMIYJVGAJRY-ZACQAIPSSA-N 2 2 285.391 1.475 10 30 CDEELP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(C#N)c3)C[C@]2(C)C1 ZINC001414034046 969877377 /nfs/dbraw/zinc/87/73/77/969877377.db2.gz IPVRMIYJVGAJRY-ZACQAIPSSA-N 2 2 285.391 1.475 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001495561318 972539507 /nfs/dbraw/zinc/53/95/07/972539507.db2.gz NMFVTCOBGGNYOF-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001495561318 972539516 /nfs/dbraw/zinc/53/95/16/972539516.db2.gz NMFVTCOBGGNYOF-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001496184008 972832325 /nfs/dbraw/zinc/83/23/25/972832325.db2.gz SBVJNCBKBHWEOW-AWEZNQCLSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497218465 973249880 /nfs/dbraw/zinc/24/98/80/973249880.db2.gz PVAFCTZCEFCCSQ-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001499930317 974337425 /nfs/dbraw/zinc/33/74/25/974337425.db2.gz WDEUFMXREQLESM-LSDHHAIUSA-N 2 2 288.395 1.438 10 30 CDEELP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001500280763 974413887 /nfs/dbraw/zinc/41/38/87/974413887.db2.gz JXSAZELNZGZXRS-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001500280763 974413888 /nfs/dbraw/zinc/41/38/88/974413888.db2.gz JXSAZELNZGZXRS-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001503001632 974806978 /nfs/dbraw/zinc/80/69/78/974806978.db2.gz IIBBWAUVDVIYGE-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001503001632 974806983 /nfs/dbraw/zinc/80/69/83/974806983.db2.gz IIBBWAUVDVIYGE-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001405104692 975626581 /nfs/dbraw/zinc/62/65/81/975626581.db2.gz IYOCVURAJNABBA-GFCCVEGCSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001405104692 975626590 /nfs/dbraw/zinc/62/65/90/975626590.db2.gz IYOCVURAJNABBA-GFCCVEGCSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001405104692 975626599 /nfs/dbraw/zinc/62/65/99/975626599.db2.gz IYOCVURAJNABBA-GFCCVEGCSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001405104692 975626607 /nfs/dbraw/zinc/62/66/07/975626607.db2.gz IYOCVURAJNABBA-GFCCVEGCSA-N 2 2 273.808 1.270 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001676734323 1174264377 /nfs/dbraw/zinc/26/43/77/1174264377.db2.gz CKZZNWBQZMPYOW-GXTWGEPZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001676734323 1174264383 /nfs/dbraw/zinc/26/43/83/1174264383.db2.gz CKZZNWBQZMPYOW-GXTWGEPZSA-N 2 2 276.384 1.497 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000600727121 342245332 /nfs/dbraw/zinc/24/53/32/342245332.db2.gz ONMLVVPRLUHPFD-ZDUSSCGKSA-N 2 2 262.357 1.308 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000594436953 342903167 /nfs/dbraw/zinc/90/31/67/342903167.db2.gz GYLRVHXEXQIRRJ-CYBMUJFWSA-N 2 2 285.351 1.362 10 30 CDEELP C[C@]1(C#N)CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000595904769 343188146 /nfs/dbraw/zinc/18/81/46/343188146.db2.gz KPKCXZWROYGFMT-HRCADAONSA-N 2 2 273.380 1.153 10 30 CDEELP C[C@]1(C#N)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000595904769 343188148 /nfs/dbraw/zinc/18/81/48/343188148.db2.gz KPKCXZWROYGFMT-HRCADAONSA-N 2 2 273.380 1.153 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C#N)s1 ZINC000597989565 343681048 /nfs/dbraw/zinc/68/10/48/343681048.db2.gz GHEOKZXXKFXPKV-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C#N)s1 ZINC000597989565 343681049 /nfs/dbraw/zinc/68/10/49/343681049.db2.gz GHEOKZXXKFXPKV-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352792717 374355633 /nfs/dbraw/zinc/35/56/33/374355633.db2.gz CPBVRQNOQCHOJI-LLVKDONJSA-N 2 2 264.398 1.836 10 30 CDEELP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352792717 374355640 /nfs/dbraw/zinc/35/56/40/374355640.db2.gz CPBVRQNOQCHOJI-LLVKDONJSA-N 2 2 264.398 1.836 10 30 CDEELP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352852850 374362826 /nfs/dbraw/zinc/36/28/26/374362826.db2.gz KXNZMVMCTYFWIF-LLVKDONJSA-N 2 2 264.398 1.836 10 30 CDEELP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352852850 374362829 /nfs/dbraw/zinc/36/28/29/374362829.db2.gz KXNZMVMCTYFWIF-LLVKDONJSA-N 2 2 264.398 1.836 10 30 CDEELP C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662844380 413595792 /nfs/dbraw/zinc/59/57/92/413595792.db2.gz YCTXLVQKPUAESR-MCIONIFRSA-N 2 2 267.417 1.517 10 30 CDEELP CC(C)N1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683729 175091559 /nfs/dbraw/zinc/09/15/59/175091559.db2.gz FSDLEKRHROKQKH-UHFFFAOYSA-N 2 2 277.437 1.584 10 30 CDEELP N#Cc1c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn2ccccc12 ZINC000044529754 175194151 /nfs/dbraw/zinc/19/41/51/175194151.db2.gz MQLVRWWHFZRTLQ-ZDUSSCGKSA-N 2 2 268.364 1.982 10 30 CDEELP N#Cc1c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn2ccccc12 ZINC000044529754 175194152 /nfs/dbraw/zinc/19/41/52/175194152.db2.gz MQLVRWWHFZRTLQ-ZDUSSCGKSA-N 2 2 268.364 1.982 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318433 175359491 /nfs/dbraw/zinc/35/94/91/175359491.db2.gz NQAUQWNKEIMGOS-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001669935432 1173632708 /nfs/dbraw/zinc/63/27/08/1173632708.db2.gz FQIMPMZVRYVFER-CQSZACIVSA-N 2 2 278.400 1.676 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001669935432 1173632711 /nfs/dbraw/zinc/63/27/11/1173632711.db2.gz FQIMPMZVRYVFER-CQSZACIVSA-N 2 2 278.400 1.676 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000424176940 330317450 /nfs/dbraw/zinc/31/74/50/330317450.db2.gz SGJLWBUTSHSELK-OSFYFWSMSA-N 2 2 250.386 1.792 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000424176940 330317451 /nfs/dbraw/zinc/31/74/51/330317451.db2.gz SGJLWBUTSHSELK-OSFYFWSMSA-N 2 2 250.386 1.792 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001272344702 1161080080 /nfs/dbraw/zinc/08/00/80/1161080080.db2.gz WONVARFFKRKMOD-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCN1CC[NH+](CC(C)C)CC1 ZINC000055081064 520102663 /nfs/dbraw/zinc/10/26/63/520102663.db2.gz UULFVFILBSJOFJ-INIZCTEOSA-N 2 2 280.460 1.932 10 30 CDEELP C[NH+](C)CCN1CC[NH+]([C@@H]2CCCCC[C@H]2C#N)CC1 ZINC000061644270 521765105 /nfs/dbraw/zinc/76/51/05/521765105.db2.gz GXIBOPRIJUEROP-JKSUJKDBSA-N 2 2 278.444 1.638 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001688881457 1175050089 /nfs/dbraw/zinc/05/00/89/1175050089.db2.gz SKZNZAKLJDNMJS-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001688881457 1175050095 /nfs/dbraw/zinc/05/00/95/1175050095.db2.gz SKZNZAKLJDNMJS-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001690010284 1175343703 /nfs/dbraw/zinc/34/37/03/1175343703.db2.gz BZQNAFSICKSEMP-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(C)C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001690010284 1175343712 /nfs/dbraw/zinc/34/37/12/1175343712.db2.gz BZQNAFSICKSEMP-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C#C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000934512155 617614559 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C=CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001714972841 1179485614 /nfs/dbraw/zinc/48/56/14/1179485614.db2.gz GFFAMURRMGMKIS-UHFFFAOYSA-N 2 2 276.384 1.241 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001715239092 1179592863 /nfs/dbraw/zinc/59/28/63/1179592863.db2.gz HHOMWANAMMKZPD-GFCCVEGCSA-N 2 2 272.352 1.476 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001715254224 1179598429 /nfs/dbraw/zinc/59/84/29/1179598429.db2.gz IASXHUNWJJWBEQ-AWEZNQCLSA-N 2 2 290.411 1.807 10 30 CDEELP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001715370896 1179647458 /nfs/dbraw/zinc/64/74/58/1179647458.db2.gz DLHYCYHBFYUWEO-LBPRGKRZSA-N 2 2 276.384 1.147 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001715507427 1179687215 /nfs/dbraw/zinc/68/72/15/1179687215.db2.gz WTEDQFFSPTZULN-HUUCEWRRSA-N 2 2 290.411 1.588 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001715506290 1179687343 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C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001424828723 957373099 /nfs/dbraw/zinc/37/30/99/957373099.db2.gz BVODKEOYJISUBU-NEPJUHHUSA-N 2 2 298.818 1.588 10 30 CDEELP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001318037415 957876915 /nfs/dbraw/zinc/87/69/15/957876915.db2.gz FVYXWWFNBOLRFG-CYBMUJFWSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320053755 958904662 /nfs/dbraw/zinc/90/46/62/958904662.db2.gz AKTZNXFSPRWNQL-ZDUSSCGKSA-N 2 2 264.373 1.410 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320053755 958904674 /nfs/dbraw/zinc/90/46/74/958904674.db2.gz AKTZNXFSPRWNQL-ZDUSSCGKSA-N 2 2 264.373 1.410 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001439858062 963883138 /nfs/dbraw/zinc/88/31/38/963883138.db2.gz SEEJKBFJLNSJTK-AWEZNQCLSA-N 2 2 296.802 1.525 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001439858062 963883145 /nfs/dbraw/zinc/88/31/45/963883145.db2.gz SEEJKBFJLNSJTK-AWEZNQCLSA-N 2 2 296.802 1.525 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480546530 970067102 /nfs/dbraw/zinc/06/71/02/970067102.db2.gz PTUJUIQPROAEGQ-QWHCGFSZSA-N 2 2 264.373 1.505 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001372325367 972916305 /nfs/dbraw/zinc/91/63/05/972916305.db2.gz KEUHGIITWNRBPQ-CQSZACIVSA-N 2 2 299.846 1.519 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001372325367 972916313 /nfs/dbraw/zinc/91/63/13/972916313.db2.gz KEUHGIITWNRBPQ-CQSZACIVSA-N 2 2 299.846 1.519 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001498325067 973829929 /nfs/dbraw/zinc/82/99/29/973829929.db2.gz VAJOMBCPZZWIOB-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001498325067 973829937 /nfs/dbraw/zinc/82/99/37/973829937.db2.gz VAJOMBCPZZWIOB-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001499930314 974337692 /nfs/dbraw/zinc/33/76/92/974337692.db2.gz WDEUFMXREQLESM-CABCVRRESA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569723211 1169977193 /nfs/dbraw/zinc/97/71/93/1169977193.db2.gz DPSZAWQRBJJGAC-MRXNPFEDSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569723211 1169977197 /nfs/dbraw/zinc/97/71/97/1169977197.db2.gz DPSZAWQRBJJGAC-MRXNPFEDSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001501826759 974646438 /nfs/dbraw/zinc/64/64/38/974646438.db2.gz GGAKKBFGJJOGTJ-GJZGRUSLSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001501826759 974646442 /nfs/dbraw/zinc/64/64/42/974646442.db2.gz GGAKKBFGJJOGTJ-GJZGRUSLSA-N 2 2 297.443 1.110 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001507287007 975398437 /nfs/dbraw/zinc/39/84/37/975398437.db2.gz UJIABULSWLKJKU-KGLIPLIRSA-N 2 2 296.374 1.550 10 30 CDEELP C=C(C)CC[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001508144363 975621598 /nfs/dbraw/zinc/62/15/98/975621598.db2.gz AOXFQIPEQUXJEV-UHFFFAOYSA-N 2 2 290.411 1.806 10 30 CDEELP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cn1cc[nH+]c1 ZINC001379483152 975866535 /nfs/dbraw/zinc/86/65/35/975866535.db2.gz UFHUCSNZYJDLGJ-CYBMUJFWSA-N 2 2 297.362 1.049 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001379522084 975904797 /nfs/dbraw/zinc/90/47/97/975904797.db2.gz LTHFSVCIOQXPDT-NSHDSACASA-N 2 2 298.818 1.773 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392685447 977546677 /nfs/dbraw/zinc/54/66/77/977546677.db2.gz MHNDKTJJJJMZAJ-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001392685447 977546681 /nfs/dbraw/zinc/54/66/81/977546681.db2.gz MHNDKTJJJJMZAJ-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392685447 977546684 /nfs/dbraw/zinc/54/66/84/977546684.db2.gz MHNDKTJJJJMZAJ-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392685447 977546687 /nfs/dbraw/zinc/54/66/87/977546687.db2.gz MHNDKTJJJJMZAJ-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001656093931 1171766403 /nfs/dbraw/zinc/76/64/03/1171766403.db2.gz UORSPZJLQSAEMP-CABCVRRESA-N 2 2 288.395 1.390 10 30 CDEELP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001656093931 1171766417 /nfs/dbraw/zinc/76/64/17/1171766417.db2.gz UORSPZJLQSAEMP-CABCVRRESA-N 2 2 288.395 1.390 10 30 CDEELP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594034995 342868416 /nfs/dbraw/zinc/86/84/16/342868416.db2.gz IEWGYYUIYXKMPJ-KRWDZBQOSA-N 2 2 299.418 1.982 10 30 CDEELP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594034995 342868417 /nfs/dbraw/zinc/86/84/17/342868417.db2.gz IEWGYYUIYXKMPJ-KRWDZBQOSA-N 2 2 299.418 1.982 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000598726771 343886133 /nfs/dbraw/zinc/88/61/33/343886133.db2.gz BGHRPTMSGXVVDJ-MNOVXSKESA-N 2 2 262.357 1.157 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000598726771 343886134 /nfs/dbraw/zinc/88/61/34/343886134.db2.gz BGHRPTMSGXVVDJ-MNOVXSKESA-N 2 2 262.357 1.157 10 30 CDEELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000344222321 356965241 /nfs/dbraw/zinc/96/52/41/356965241.db2.gz XJUHOEJAQXFJGX-HNNXBMFYSA-N 2 2 291.370 1.898 10 30 CDEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000344222322 356965589 /nfs/dbraw/zinc/96/55/89/356965589.db2.gz XJUHOEJAQXFJGX-OAHLLOKOSA-N 2 2 291.370 1.898 10 30 CDEELP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](C)C#N ZINC000157646311 360937087 /nfs/dbraw/zinc/93/70/87/360937087.db2.gz FMBFEGYUFDNTMM-ZDUSSCGKSA-N 2 2 292.427 1.211 10 30 CDEELP C=CCOc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000131467978 369084662 /nfs/dbraw/zinc/08/46/62/369084662.db2.gz FLXUMSCBOUVPFC-INIZCTEOSA-N 2 2 278.396 1.654 10 30 CDEELP Cc1[nH+]ccn1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355106335 373823059 /nfs/dbraw/zinc/82/30/59/373823059.db2.gz XDPPHPIXDVMSJK-UHFFFAOYSA-N 2 2 296.378 1.280 10 30 CDEELP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352827619 374366340 /nfs/dbraw/zinc/36/63/40/374366340.db2.gz ZGDVTDAJPVDJMV-PWSUYJOCSA-N 2 2 264.398 1.977 10 30 CDEELP N#Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422969304 374366912 /nfs/dbraw/zinc/36/69/12/374366912.db2.gz ZQUBXGBIZOZRGK-HOTGVXAUSA-N 2 2 271.364 1.415 10 30 CDEELP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001661890761 1172461967 /nfs/dbraw/zinc/46/19/67/1172461967.db2.gz KZIXEOOPTVGDQT-CQSZACIVSA-N 2 2 288.395 1.255 10 30 CDEELP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001661890761 1172461974 /nfs/dbraw/zinc/46/19/74/1172461974.db2.gz KZIXEOOPTVGDQT-CQSZACIVSA-N 2 2 288.395 1.255 10 30 CDEELP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249860579 377481624 /nfs/dbraw/zinc/48/16/24/377481624.db2.gz FYKIMGMTYLUJLL-KGLIPLIRSA-N 2 2 288.395 1.506 10 30 CDEELP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249860579 377481633 /nfs/dbraw/zinc/48/16/33/377481633.db2.gz FYKIMGMTYLUJLL-KGLIPLIRSA-N 2 2 288.395 1.506 10 30 CDEELP CN(CC[N@H+](C)CC#Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000192134626 130380850 /nfs/dbraw/zinc/38/08/50/130380850.db2.gz FVKJURGRRIHNMR-UHFFFAOYSA-N 2 2 299.462 1.996 10 30 CDEELP CN(CC[N@@H+](C)CC#Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000192134626 130380853 /nfs/dbraw/zinc/38/08/53/130380853.db2.gz FVKJURGRRIHNMR-UHFFFAOYSA-N 2 2 299.462 1.996 10 30 CDEELP CN(CC#Cc1ccccc1)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000192134626 130380857 /nfs/dbraw/zinc/38/08/57/130380857.db2.gz FVKJURGRRIHNMR-UHFFFAOYSA-N 2 2 299.462 1.996 10 30 CDEELP CN(CC#Cc1ccccc1)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000192134626 130380860 /nfs/dbraw/zinc/38/08/60/130380860.db2.gz FVKJURGRRIHNMR-UHFFFAOYSA-N 2 2 299.462 1.996 10 30 CDEELP Cc1cc(NCCCC[NH+]2CCOCC2)c(C#N)c[nH+]1 ZINC000425209166 392993581 /nfs/dbraw/zinc/99/35/81/392993581.db2.gz QVEJXNNMXFQUEG-UHFFFAOYSA-N 2 2 274.368 1.208 10 30 CDEELP CCCN[C@](C)(C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045177182 175323722 /nfs/dbraw/zinc/32/37/22/175323722.db2.gz DFCPFVRVORWJKQ-OAHLLOKOSA-N 2 2 266.433 1.542 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315764 175358061 /nfs/dbraw/zinc/35/80/61/175358061.db2.gz LVVZKAOTLPARNN-INIZCTEOSA-N 3 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@H+](CCCOC)CCOC ZINC000045317012 175358358 /nfs/dbraw/zinc/35/83/58/175358358.db2.gz VBEVBENTBPZLIF-OAHLLOKOSA-N 2 2 285.432 1.643 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCCOC)CCOC ZINC000045317012 175358360 /nfs/dbraw/zinc/35/83/60/175358360.db2.gz VBEVBENTBPZLIF-OAHLLOKOSA-N 2 2 285.432 1.643 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001666992594 1173217278 /nfs/dbraw/zinc/21/72/78/1173217278.db2.gz RADQHPRHCTWHEK-MGPQQGTHSA-N 2 2 290.411 1.536 10 30 CDEELP C=CCCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563421614 328063813 /nfs/dbraw/zinc/06/38/13/328063813.db2.gz NLHFMQXRLLZAQY-ZDUSSCGKSA-N 2 2 268.405 1.017 10 30 CDEELP C=CCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563421614 328063814 /nfs/dbraw/zinc/06/38/14/328063814.db2.gz NLHFMQXRLLZAQY-ZDUSSCGKSA-N 2 2 268.405 1.017 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001271679256 1160347469 /nfs/dbraw/zinc/34/74/69/1160347469.db2.gz WYPSHXITEMMDSY-KGLIPLIRSA-N 2 2 290.411 1.365 10 30 CDEELP CC[NH2+][C@@](C#N)(CN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000069076936 520125655 /nfs/dbraw/zinc/12/56/55/520125655.db2.gz OPSWXBQLWNPZSI-HNNXBMFYSA-N 2 2 264.417 1.294 10 30 CDEELP C[NH+](C)CCN1CC[NH+]([C@H]2CCCC[C@H]2C#N)CC1 ZINC000061644286 521769061 /nfs/dbraw/zinc/76/90/61/521769061.db2.gz HWIOHHYHRSTHBS-GJZGRUSLSA-N 2 2 264.417 1.248 10 30 CDEELP CN[C@@H](C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000062435587 522317143 /nfs/dbraw/zinc/31/71/43/522317143.db2.gz QFENFQFOLOIJQI-CQSZACIVSA-N 2 2 264.417 1.438 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2ccc(C#CCO)cc2)CC1 ZINC000049618452 524040233 /nfs/dbraw/zinc/04/02/33/524040233.db2.gz QKTOZRXWOFTFOI-UHFFFAOYSA-N 2 2 272.392 1.556 10 30 CDEELP C[C@H]1C[NH+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@H](C)O1 ZINC000049608455 524619657 /nfs/dbraw/zinc/61/96/57/524619657.db2.gz SVIWMFPBOGBFGJ-STQMWFEESA-N 2 2 276.355 1.745 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691120418 1158921167 /nfs/dbraw/zinc/92/11/67/1158921167.db2.gz SXKNWLDCIOOYSU-TXEJJXNPSA-N 2 2 262.357 1.013 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001566731954 1168403047 /nfs/dbraw/zinc/40/30/47/1168403047.db2.gz LARKCQCKDGGFRY-OAHLLOKOSA-N 2 2 288.395 1.171 10 30 CDEELP C#CCC[N@@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001568501142 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C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001570749580 1170268816 /nfs/dbraw/zinc/26/88/16/1170268816.db2.gz YFBPFCFDGOSSLD-LBPRGKRZSA-N 2 2 278.400 1.663 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001571412828 1170418185 /nfs/dbraw/zinc/41/81/85/1170418185.db2.gz HACRVICKZISJRP-LBPRGKRZSA-N 2 2 278.400 1.700 10 30 CDEELP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1)C1CC1 ZINC000595632250 343113963 /nfs/dbraw/zinc/11/39/63/343113963.db2.gz DGWQDEOYMPTTLZ-MRXNPFEDSA-N 2 2 287.407 1.838 10 30 CDEELP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1)C1CC1 ZINC000595632250 343113964 /nfs/dbraw/zinc/11/39/64/343113964.db2.gz DGWQDEOYMPTTLZ-MRXNPFEDSA-N 2 2 287.407 1.838 10 30 CDEELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000595907476 343188843 /nfs/dbraw/zinc/18/88/43/343188843.db2.gz VGLVEZBVODACHS-MRXNPFEDSA-N 2 2 288.395 1.496 10 30 CDEELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000595907476 343188844 /nfs/dbraw/zinc/18/88/44/343188844.db2.gz VGLVEZBVODACHS-MRXNPFEDSA-N 2 2 288.395 1.496 10 30 CDEELP C[C@@H](CC#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000597227087 343487551 /nfs/dbraw/zinc/48/75/51/343487551.db2.gz PSSHLXIFVVJNIE-ZDUSSCGKSA-N 2 2 280.416 1.021 10 30 CDEELP C[C@@H](CC#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000597227087 343487554 /nfs/dbraw/zinc/48/75/54/343487554.db2.gz PSSHLXIFVVJNIE-ZDUSSCGKSA-N 2 2 280.416 1.021 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000685006217 482698387 /nfs/dbraw/zinc/69/83/87/482698387.db2.gz ALYRJIDBBPTEQU-HNNXBMFYSA-N 2 2 261.369 1.449 10 30 CDEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248877743 373919994 /nfs/dbraw/zinc/91/99/94/373919994.db2.gz JUYLDNQVEOBGCP-SOUVJXGZSA-N 2 2 265.401 1.769 10 30 CDEELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248877743 373919999 /nfs/dbraw/zinc/91/99/99/373919999.db2.gz JUYLDNQVEOBGCP-SOUVJXGZSA-N 2 2 265.401 1.769 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001661846396 1172454654 /nfs/dbraw/zinc/45/46/54/1172454654.db2.gz MZKYADHYWGMYNX-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564085045 375735686 /nfs/dbraw/zinc/73/56/86/375735686.db2.gz CXUHOZFGROCWGN-INIZCTEOSA-N 2 2 277.412 1.263 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564085045 375735691 /nfs/dbraw/zinc/73/56/91/375735691.db2.gz CXUHOZFGROCWGN-INIZCTEOSA-N 2 2 277.412 1.263 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000655938518 412957280 /nfs/dbraw/zinc/95/72/80/412957280.db2.gz WTPVKYGWEADRTQ-QEJZJMRPSA-N 2 2 275.400 1.413 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000655938518 412957291 /nfs/dbraw/zinc/95/72/91/412957291.db2.gz WTPVKYGWEADRTQ-QEJZJMRPSA-N 2 2 275.400 1.413 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193821042 392066750 /nfs/dbraw/zinc/06/67/50/392066750.db2.gz FURSHWZGNNAEBZ-AWEZNQCLSA-N 2 2 279.428 1.602 10 30 CDEELP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000362943845 159273721 /nfs/dbraw/zinc/27/37/21/159273721.db2.gz WGMPNWGYTFITOE-SFHVURJKSA-N 2 2 298.434 1.770 10 30 CDEELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000362943845 159273723 /nfs/dbraw/zinc/27/37/23/159273723.db2.gz WGMPNWGYTFITOE-SFHVURJKSA-N 2 2 298.434 1.770 10 30 CDEELP C#C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001665360066 1172985549 /nfs/dbraw/zinc/98/55/49/1172985549.db2.gz YPABVYMXWGPCFH-IIAWOOMASA-N 2 2 264.413 1.613 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040623268 174355910 /nfs/dbraw/zinc/35/59/10/174355910.db2.gz JTJPRQBDCPNVQE-OAHLLOKOSA-N 3 2 263.429 1.404 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040623268 174355911 /nfs/dbraw/zinc/35/59/11/174355911.db2.gz JTJPRQBDCPNVQE-OAHLLOKOSA-N 3 2 263.429 1.404 10 30 CDEELP CC[C@H]1C[N@H+](Cc2ccc(C#CC[NH3+])s2)CCO1 ZINC000043683694 175092201 /nfs/dbraw/zinc/09/22/01/175092201.db2.gz HKMQZSLCSYBJDL-LBPRGKRZSA-N 2 2 264.394 1.669 10 30 CDEELP CC[C@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])s2)CCO1 ZINC000043683694 175092202 /nfs/dbraw/zinc/09/22/02/175092202.db2.gz HKMQZSLCSYBJDL-LBPRGKRZSA-N 2 2 264.394 1.669 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](CCOC)CC(C)C ZINC000045314970 175357401 /nfs/dbraw/zinc/35/74/01/175357401.db2.gz BOAUMMDUIANRAS-CQSZACIVSA-N 2 2 255.406 1.873 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](CCOC)CC(C)C ZINC000045314970 175357403 /nfs/dbraw/zinc/35/74/03/175357403.db2.gz BOAUMMDUIANRAS-CQSZACIVSA-N 2 2 255.406 1.873 10 30 CDEELP COCC[NH+](CCC[C@](C)(C#N)[NH2+]C(C)C)CCOC ZINC000045318576 175359367 /nfs/dbraw/zinc/35/93/67/175359367.db2.gz BZLJTHAADBBMQE-OAHLLOKOSA-N 2 2 285.432 1.642 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847364 267122114 /nfs/dbraw/zinc/12/21/14/267122114.db2.gz FWRVBRQKNUMMMD-HZPDHXFCSA-N 2 2 292.427 1.068 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847364 267122117 /nfs/dbraw/zinc/12/21/17/267122117.db2.gz FWRVBRQKNUMMMD-HZPDHXFCSA-N 2 2 292.427 1.068 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367847364 267122118 /nfs/dbraw/zinc/12/21/18/267122118.db2.gz FWRVBRQKNUMMMD-HZPDHXFCSA-N 2 2 292.427 1.068 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367847364 267122120 /nfs/dbraw/zinc/12/21/20/267122120.db2.gz FWRVBRQKNUMMMD-HZPDHXFCSA-N 2 2 292.427 1.068 10 30 CDEELP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N[C@@H]1C[C@@H]1C ZINC000176383388 329175074 /nfs/dbraw/zinc/17/50/74/329175074.db2.gz HPMQBJALNMWZKG-QWHCGFSZSA-N 2 2 282.432 1.061 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267023045 1159090535 /nfs/dbraw/zinc/09/05/35/1159090535.db2.gz REWSLTXFUPOFJW-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP CC(C)CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912366 329072327 /nfs/dbraw/zinc/07/23/27/329072327.db2.gz QOGRQOZOSDSLLV-UHFFFAOYSA-N 2 2 272.356 1.328 10 30 CDEELP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N[C@@H]1C[C@@H]1C ZINC000176383388 329175073 /nfs/dbraw/zinc/17/50/73/329175073.db2.gz HPMQBJALNMWZKG-QWHCGFSZSA-N 2 2 282.432 1.061 10 30 CDEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423092481 330169533 /nfs/dbraw/zinc/16/95/33/330169533.db2.gz CAGNDJQRLRWAJA-WCVJEAGWSA-N 2 2 280.412 1.324 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001269481531 1160061352 /nfs/dbraw/zinc/06/13/52/1160061352.db2.gz AUOWNDMJCAAXOT-QWHCGFSZSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001269481531 1160061357 /nfs/dbraw/zinc/06/13/57/1160061357.db2.gz AUOWNDMJCAAXOT-QWHCGFSZSA-N 2 2 278.400 1.649 10 30 CDEELP CC#CC[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482879216 1160639413 /nfs/dbraw/zinc/63/94/13/1160639413.db2.gz PVWHBIFVHCTZFT-KBPBESRZSA-N 2 2 276.384 1.342 10 30 CDEELP CC#CC[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482879218 1160639486 /nfs/dbraw/zinc/63/94/86/1160639486.db2.gz PVWHBIFVHCTZFT-UONOGXRCSA-N 2 2 276.384 1.342 10 30 CDEELP CC#CC[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486449754 1161455624 /nfs/dbraw/zinc/45/56/24/1161455624.db2.gz OTSOBZPKAQFVHB-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP CCCN(CC[NH+](C)C)C[C@](C#N)([NH2+]CC)C1CC1 ZINC000069081385 521656367 /nfs/dbraw/zinc/65/63/67/521656367.db2.gz FMMTUPARXDQZJN-HNNXBMFYSA-N 2 2 266.433 1.542 10 30 CDEELP C[C@@H]1C[NH+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@@H](C)O1 ZINC000049608456 524994979 /nfs/dbraw/zinc/99/49/79/524994979.db2.gz SVIWMFPBOGBFGJ-CHWSQXEVSA-N 2 2 276.355 1.745 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742859 617605667 /nfs/dbraw/zinc/60/56/67/617605667.db2.gz HUKMJOSKHKOCFQ-YQQAZPJKSA-N 2 2 291.439 1.459 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742859 617605669 /nfs/dbraw/zinc/60/56/69/617605669.db2.gz HUKMJOSKHKOCFQ-YQQAZPJKSA-N 2 2 291.439 1.459 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933742859 617605672 /nfs/dbraw/zinc/60/56/72/617605672.db2.gz HUKMJOSKHKOCFQ-YQQAZPJKSA-N 2 2 291.439 1.459 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933742859 617605676 /nfs/dbraw/zinc/60/56/76/617605676.db2.gz HUKMJOSKHKOCFQ-YQQAZPJKSA-N 2 2 291.439 1.459 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001568000302 1169113695 /nfs/dbraw/zinc/11/36/95/1169113695.db2.gz NHGRYVDHBARKDO-UHFFFAOYSA-N 2 2 276.384 1.547 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001568000302 1169113699 /nfs/dbraw/zinc/11/36/99/1169113699.db2.gz NHGRYVDHBARKDO-UHFFFAOYSA-N 2 2 276.384 1.547 10 30 CDEELP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001569386927 1169840448 /nfs/dbraw/zinc/84/04/48/1169840448.db2.gz YDBUHJSVKIBUCM-IAGOWNOFSA-N 2 2 299.418 1.503 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001569386927 1169840460 /nfs/dbraw/zinc/84/04/60/1169840460.db2.gz YDBUHJSVKIBUCM-IAGOWNOFSA-N 2 2 299.418 1.503 10 30 CDEELP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001675533615 1174125277 /nfs/dbraw/zinc/12/52/77/1174125277.db2.gz QPZWWNWCSZJVBE-QKDCVEJESA-N 2 2 288.395 1.143 10 30 CDEELP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001675533615 1174125282 /nfs/dbraw/zinc/12/52/82/1174125282.db2.gz QPZWWNWCSZJVBE-QKDCVEJESA-N 2 2 288.395 1.143 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001692226337 1175708218 /nfs/dbraw/zinc/70/82/18/1175708218.db2.gz MILQCOFXKDPUAW-OCCSQVGLSA-N 2 2 276.384 1.118 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001692226337 1175708224 /nfs/dbraw/zinc/70/82/24/1175708224.db2.gz MILQCOFXKDPUAW-OCCSQVGLSA-N 2 2 276.384 1.118 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001698574735 1175851161 /nfs/dbraw/zinc/85/11/61/1175851161.db2.gz JBHKMIDWVGPDOL-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001698574735 1175851164 /nfs/dbraw/zinc/85/11/64/1175851164.db2.gz JBHKMIDWVGPDOL-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001698990468 1176019682 /nfs/dbraw/zinc/01/96/82/1176019682.db2.gz FCUJWRZJHKNPJH-ZDUSSCGKSA-N 2 2 276.384 1.022 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001698990468 1176019694 /nfs/dbraw/zinc/01/96/94/1176019694.db2.gz FCUJWRZJHKNPJH-ZDUSSCGKSA-N 2 2 276.384 1.022 10 30 CDEELP C#CCC[NH2+][C@H](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001700714119 1177087857 /nfs/dbraw/zinc/08/78/57/1177087857.db2.gz QERKHCNZXKSIOY-CYBMUJFWSA-N 2 2 276.384 1.096 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001707072205 1177939033 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CDEELP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542446 1180730647 /nfs/dbraw/zinc/73/06/47/1180730647.db2.gz DPFXLVWPBPWLQI-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542446 1180730653 /nfs/dbraw/zinc/73/06/53/1180730653.db2.gz DPFXLVWPBPWLQI-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001724611512 1181704525 /nfs/dbraw/zinc/70/45/25/1181704525.db2.gz ZHMHLXSSMQACHH-CABCVRRESA-N 2 2 290.411 1.533 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001731520939 1182433001 /nfs/dbraw/zinc/43/30/01/1182433001.db2.gz DXWRHNXGMLORKX-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001731837848 1182618497 /nfs/dbraw/zinc/61/84/97/1182618497.db2.gz UYMVFCIQUIVQHW-CYBMUJFWSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001731837848 1182618499 /nfs/dbraw/zinc/61/84/99/1182618499.db2.gz 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ZINC001734270257 1183708702 /nfs/dbraw/zinc/70/87/02/1183708702.db2.gz BSTZHWYCGFJODF-UHFFFAOYSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742568 737706433 /nfs/dbraw/zinc/70/64/33/737706433.db2.gz GIYXGFFOKAYVMJ-HLLBOEOZSA-N 2 2 293.455 1.683 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742568 737706435 /nfs/dbraw/zinc/70/64/35/737706435.db2.gz GIYXGFFOKAYVMJ-HLLBOEOZSA-N 2 2 293.455 1.683 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933742568 737706442 /nfs/dbraw/zinc/70/64/42/737706442.db2.gz GIYXGFFOKAYVMJ-HLLBOEOZSA-N 2 2 293.455 1.683 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933742568 737706448 /nfs/dbraw/zinc/70/64/48/737706448.db2.gz GIYXGFFOKAYVMJ-HLLBOEOZSA-N 2 2 293.455 1.683 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)nc1 ZINC000925894482 737891054 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C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001567420959 1168746254 /nfs/dbraw/zinc/74/62/54/1168746254.db2.gz HASQDYLNHCFLFH-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001567420959 1168746262 /nfs/dbraw/zinc/74/62/62/1168746262.db2.gz HASQDYLNHCFLFH-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)Cc1c[nH]c[nH+]1 ZINC001282648388 894638413 /nfs/dbraw/zinc/63/84/13/894638413.db2.gz VKYTYEGYWRAAPC-CYBMUJFWSA-N 2 2 276.384 1.240 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267204873 897142048 /nfs/dbraw/zinc/14/20/48/897142048.db2.gz OESMKFLDOXJTGY-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267204873 897142057 /nfs/dbraw/zinc/14/20/57/897142057.db2.gz OESMKFLDOXJTGY-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001267672821 899231333 /nfs/dbraw/zinc/23/13/33/899231333.db2.gz 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290.411 1.991 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335984 905102412 /nfs/dbraw/zinc/10/24/12/905102412.db2.gz QTBTYDADTSYNJM-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372876 905229914 /nfs/dbraw/zinc/22/99/14/905229914.db2.gz FBYZCUXMKPDODY-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001482499094 906672693 /nfs/dbraw/zinc/67/26/93/906672693.db2.gz OTSPIVSWNAUESH-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001483436079 911120097 /nfs/dbraw/zinc/12/00/97/911120097.db2.gz AMTIESGPGKAMHE-UKRRQHHQSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001483436079 911120109 /nfs/dbraw/zinc/12/01/09/911120109.db2.gz AMTIESGPGKAMHE-UKRRQHHQSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001484072330 915396424 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C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001488865688 926727223 /nfs/dbraw/zinc/72/72/23/926727223.db2.gz RFIFHDJQXFPBBI-IHRRRGAJSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001488865688 926727231 /nfs/dbraw/zinc/72/72/31/926727231.db2.gz RFIFHDJQXFPBBI-IHRRRGAJSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490209169 927008160 /nfs/dbraw/zinc/00/81/60/927008160.db2.gz UUFNMJJWNOKINE-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490209169 927008172 /nfs/dbraw/zinc/00/81/72/927008172.db2.gz UUFNMJJWNOKINE-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490209169 927008185 /nfs/dbraw/zinc/00/81/85/927008185.db2.gz UUFNMJJWNOKINE-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490209169 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/nfs/dbraw/zinc/83/97/73/1169839773.db2.gz YKRWPQHJFFYOIP-JKSUJKDBSA-N 2 2 291.439 1.321 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001569614332 1169937981 /nfs/dbraw/zinc/93/79/81/1169937981.db2.gz RPHSXGCCFSPNTN-HNNXBMFYSA-N 2 2 288.395 1.158 10 30 CDEELP C=C(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001519438156 970084262 /nfs/dbraw/zinc/08/42/62/970084262.db2.gz XQJLTCWKVLFNQZ-OAHLLOKOSA-N 2 2 293.455 1.873 10 30 CDEELP C=C(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001519438156 970084272 /nfs/dbraw/zinc/08/42/72/970084272.db2.gz XQJLTCWKVLFNQZ-OAHLLOKOSA-N 2 2 293.455 1.873 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)c1cc(C[NH+](C)C)on1 ZINC001467727563 970092572 /nfs/dbraw/zinc/09/25/72/970092572.db2.gz LGDWSXSQPGZIIK-UHFFFAOYSA-N 2 2 294.399 1.316 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496091240 972789586 /nfs/dbraw/zinc/78/95/86/972789586.db2.gz BLVZMBUQKPSGMA-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001506991965 975285832 /nfs/dbraw/zinc/28/58/32/975285832.db2.gz NYEJFHLTJSWJCI-UKRRQHHQSA-N 2 2 290.411 1.342 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001506991965 975285836 /nfs/dbraw/zinc/28/58/36/975285836.db2.gz NYEJFHLTJSWJCI-UKRRQHHQSA-N 2 2 290.411 1.342 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001507420249 975461976 /nfs/dbraw/zinc/46/19/76/975461976.db2.gz DRBYLQXPAYJHMD-KBPBESRZSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001571409397 1170417106 /nfs/dbraw/zinc/41/71/06/1170417106.db2.gz MJBJUXCBPLKCFB-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602537685 344471516 /nfs/dbraw/zinc/47/15/16/344471516.db2.gz CFJVGIGFEWMZHH-UHFFFAOYSA-N 2 2 291.395 1.850 10 30 CDEELP C=CC(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763561 345961283 /nfs/dbraw/zinc/96/12/83/345961283.db2.gz UZXNJQDZYNWQBB-UHFFFAOYSA-N 2 2 255.406 1.198 10 30 CDEELP C=CC(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763561 345961286 /nfs/dbraw/zinc/96/12/86/345961286.db2.gz UZXNJQDZYNWQBB-UHFFFAOYSA-N 2 2 255.406 1.198 10 30 CDEELP C[N@H+](CCCn1cc[nH+]c1)Cc1ccnc(C#N)c1 ZINC000611374359 346772284 /nfs/dbraw/zinc/77/22/84/346772284.db2.gz SSIZPHZTMCKJMI-UHFFFAOYSA-N 2 2 255.325 1.672 10 30 CDEELP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnc(C#N)c1 ZINC000611374359 346772286 /nfs/dbraw/zinc/77/22/86/346772286.db2.gz SSIZPHZTMCKJMI-UHFFFAOYSA-N 2 2 255.325 1.672 10 30 CDEELP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620585 347675611 /nfs/dbraw/zinc/67/56/11/347675611.db2.gz UPZCHBQRRRESMY-KFWWJZLASA-N 2 2 279.428 1.661 10 30 CDEELP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620585 347675615 /nfs/dbraw/zinc/67/56/15/347675615.db2.gz UPZCHBQRRRESMY-KFWWJZLASA-N 2 2 279.428 1.661 10 30 CDEELP N#CCc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000563153632 359133212 /nfs/dbraw/zinc/13/32/12/359133212.db2.gz CMFSJNBGEJTCME-SJORKVTESA-N 2 2 285.391 1.609 10 30 CDEELP C#CCCCCCC[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001660748237 1172271774 /nfs/dbraw/zinc/27/17/74/1172271774.db2.gz BNMMYCMQEKSWRQ-CVEARBPZSA-N 2 2 265.445 1.794 10 30 CDEELP C#CCCCCCC[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001660748237 1172271780 /nfs/dbraw/zinc/27/17/80/1172271780.db2.gz BNMMYCMQEKSWRQ-CVEARBPZSA-N 2 2 265.445 1.794 10 30 CDEELP C=C(C)C[NH+]1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001660776125 1172276533 /nfs/dbraw/zinc/27/65/33/1172276533.db2.gz PEJHCCHLOMVMEC-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[NH+]1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001660776125 1172276552 /nfs/dbraw/zinc/27/65/52/1172276552.db2.gz PEJHCCHLOMVMEC-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134102661 375612450 /nfs/dbraw/zinc/61/24/50/375612450.db2.gz YQIBDWKFUNVJAE-UHFFFAOYSA-N 2 2 275.400 1.631 10 30 CDEELP CC#CCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000155466503 390918818 /nfs/dbraw/zinc/91/88/18/390918818.db2.gz SHTRELLYUMUYRB-QGZVFWFLSA-N 2 2 293.455 1.127 10 30 CDEELP CC#CCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000155466503 390918820 /nfs/dbraw/zinc/91/88/20/390918820.db2.gz SHTRELLYUMUYRB-QGZVFWFLSA-N 2 2 293.455 1.127 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040490866 174292087 /nfs/dbraw/zinc/29/20/87/174292087.db2.gz GBBYJBYQHFSFKD-KKUMJFAQSA-N 2 2 277.412 1.237 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000044517816 175190716 /nfs/dbraw/zinc/19/07/16/175190716.db2.gz SAVCCZYWPOUNFA-UHFFFAOYSA-N 3 2 263.429 1.406 10 30 CDEELP CN1CC[N@H+](CCC[C@@](C)([NH3+])C#N)[C@@H](c2ccccc2)C1 ZINC000045305413 175355986 /nfs/dbraw/zinc/35/59/86/175355986.db2.gz ZOJAJPZESBRXGM-IAGOWNOFSA-N 2 2 286.423 1.996 10 30 CDEELP CN1CC[N@@H+](CCC[C@@](C)([NH3+])C#N)[C@@H](c2ccccc2)C1 ZINC000045305413 175355988 /nfs/dbraw/zinc/35/59/88/175355988.db2.gz ZOJAJPZESBRXGM-IAGOWNOFSA-N 2 2 286.423 1.996 10 30 CDEELP C[N@@H+]1CCN(CCC[C@@](C)([NH3+])C#N)[C@@H](c2ccccc2)C1 ZINC000045305413 175355989 /nfs/dbraw/zinc/35/59/89/175355989.db2.gz ZOJAJPZESBRXGM-IAGOWNOFSA-N 2 2 286.423 1.996 10 30 CDEELP C[N@H+]1CCN(CCC[C@@](C)([NH3+])C#N)[C@@H](c2ccccc2)C1 ZINC000045305413 175355991 /nfs/dbraw/zinc/35/59/91/175355991.db2.gz ZOJAJPZESBRXGM-IAGOWNOFSA-N 2 2 286.423 1.996 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(OC)CC1 ZINC000045310296 175356192 /nfs/dbraw/zinc/35/61/92/175356192.db2.gz PFIIDJJUNJLNJE-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP CC(C)[NH+]1CCN(CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045311496 175356824 /nfs/dbraw/zinc/35/68/24/175356824.db2.gz DMXJDOYVZIPPJQ-CQSZACIVSA-N 2 2 252.406 1.424 10 30 CDEELP C[N@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000045316617 175357739 /nfs/dbraw/zinc/35/77/39/175357739.db2.gz RYXQDQRZXNVINK-GJZGRUSLSA-N 2 2 265.401 1.912 10 30 CDEELP C[N@@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000045316617 175357740 /nfs/dbraw/zinc/35/77/40/175357740.db2.gz RYXQDQRZXNVINK-GJZGRUSLSA-N 2 2 265.401 1.912 10 30 CDEELP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CC[NH+](C)C1 ZINC000071190477 176067165 /nfs/dbraw/zinc/06/71/65/176067165.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 3 2 289.398 1.519 10 30 CDEELP C[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CC[NH+](C)C1 ZINC000071190477 176067167 /nfs/dbraw/zinc/06/71/67/176067167.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 3 2 289.398 1.519 10 30 CDEELP C[NH+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071190477 176067168 /nfs/dbraw/zinc/06/71/68/176067168.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 3 2 289.398 1.519 10 30 CDEELP C[NH+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000071190477 176067170 /nfs/dbraw/zinc/06/71/70/176067170.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 3 2 289.398 1.519 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190764 176067644 /nfs/dbraw/zinc/06/76/44/176067644.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 3 2 252.406 1.152 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190764 176067645 /nfs/dbraw/zinc/06/76/45/176067645.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 3 2 252.406 1.152 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190764 176067647 /nfs/dbraw/zinc/06/76/47/176067647.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 3 2 252.406 1.152 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190764 176067648 /nfs/dbraw/zinc/06/76/48/176067648.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 3 2 252.406 1.152 10 30 CDEELP C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071311306 176118407 /nfs/dbraw/zinc/11/84/07/176118407.db2.gz IMVGLZRNHPWXBP-LLVKDONJSA-N 2 2 278.381 1.242 10 30 CDEELP C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071311306 176118408 /nfs/dbraw/zinc/11/84/08/176118408.db2.gz IMVGLZRNHPWXBP-LLVKDONJSA-N 2 2 278.381 1.242 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001666026734 1173102109 /nfs/dbraw/zinc/10/21/09/1173102109.db2.gz PMNGAVRWRMJTCV-WBMJQRKESA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001666026734 1173102116 /nfs/dbraw/zinc/10/21/16/1173102116.db2.gz PMNGAVRWRMJTCV-WBMJQRKESA-N 2 2 290.411 1.649 10 30 CDEELP Cc1nc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc[nH+]1 ZINC000294638166 263165471 /nfs/dbraw/zinc/16/54/71/263165471.db2.gz PTPLZRYSDSZWIT-UONOGXRCSA-N 2 2 271.368 1.599 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415037934 263257162 /nfs/dbraw/zinc/25/71/62/263257162.db2.gz LNGMHDZDAXLARM-HNNXBMFYSA-N 2 2 276.380 1.720 10 30 CDEELP CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262421690 330009213 /nfs/dbraw/zinc/00/92/13/330009213.db2.gz BENBSHPFBGBXTE-ZIAGYGMSSA-N 2 2 294.443 1.157 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000424291181 330334911 /nfs/dbraw/zinc/33/49/11/330334911.db2.gz DEIZMPNTUAGWJP-OSRDXIQISA-N 2 2 250.386 1.650 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000424291181 330334912 /nfs/dbraw/zinc/33/49/12/330334912.db2.gz DEIZMPNTUAGWJP-OSRDXIQISA-N 2 2 250.386 1.650 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000252652460 334383997 /nfs/dbraw/zinc/38/39/97/334383997.db2.gz QPQWOEUBOLLDRD-JKSUJKDBSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000252652460 334383998 /nfs/dbraw/zinc/38/39/98/334383998.db2.gz QPQWOEUBOLLDRD-JKSUJKDBSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000252652460 334383999 /nfs/dbraw/zinc/38/39/99/334383999.db2.gz QPQWOEUBOLLDRD-JKSUJKDBSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000252652460 334384000 /nfs/dbraw/zinc/38/40/00/334384000.db2.gz QPQWOEUBOLLDRD-JKSUJKDBSA-N 2 2 293.455 1.849 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001699152745 1176114556 /nfs/dbraw/zinc/11/45/56/1176114556.db2.gz BXJRHISEWXIJKS-LLVKDONJSA-N 2 2 264.373 1.321 10 30 CDEELP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001482112578 1159983079 /nfs/dbraw/zinc/98/30/79/1159983079.db2.gz VYYCCUUMYUGLJL-HUUCEWRRSA-N 2 2 290.411 1.445 10 30 CDEELP CCN[C@H](C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000062435588 520160441 /nfs/dbraw/zinc/16/04/41/520160441.db2.gz BEOPAZMTSKQYAD-HNNXBMFYSA-N 2 2 278.444 1.828 10 30 CDEELP C[NH+](C)CCN1CC[NH+]([C@H]2CCCC[C@@H]2C#N)CC1 ZINC000061644284 521767082 /nfs/dbraw/zinc/76/70/82/521767082.db2.gz HWIOHHYHRSTHBS-CABCVRRESA-N 2 2 264.417 1.248 10 30 CDEELP C=CC[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352739336 527209859 /nfs/dbraw/zinc/20/98/59/527209859.db2.gz YBDYXYWNVISTJH-SNVBAGLBSA-N 2 2 255.387 1.231 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001690181877 1175397839 /nfs/dbraw/zinc/39/78/39/1175397839.db2.gz IWTIKBLIWKRAOI-AWEZNQCLSA-N 2 2 276.384 1.334 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670697072 1158697191 /nfs/dbraw/zinc/69/71/91/1158697191.db2.gz UTPQBMJNOSZLPX-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670697072 1158697193 /nfs/dbraw/zinc/69/71/93/1158697193.db2.gz UTPQBMJNOSZLPX-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670697072 1158697196 /nfs/dbraw/zinc/69/71/96/1158697196.db2.gz UTPQBMJNOSZLPX-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670697072 1158697198 /nfs/dbraw/zinc/69/71/98/1158697198.db2.gz UTPQBMJNOSZLPX-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691100196 1158908649 /nfs/dbraw/zinc/90/86/49/1158908649.db2.gz OZRSNQNPYNKRME-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691100196 1158908651 /nfs/dbraw/zinc/90/86/51/1158908651.db2.gz OZRSNQNPYNKRME-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C#CC[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001270469371 1160110507 /nfs/dbraw/zinc/11/05/07/1160110507.db2.gz KHARRDZYQPFVSP-CQSZACIVSA-N 2 2 296.374 1.461 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001271679258 1160347003 /nfs/dbraw/zinc/34/70/03/1160347003.db2.gz WYPSHXITEMMDSY-ZIAGYGMSSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001568649588 1169413983 /nfs/dbraw/zinc/41/39/83/1169413983.db2.gz NWMCBRNLIRKTEK-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568649587 1169414299 /nfs/dbraw/zinc/41/42/99/1169414299.db2.gz NWMCBRNLIRKTEK-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001570109944 1170083674 /nfs/dbraw/zinc/08/36/74/1170083674.db2.gz YKCQXRBGQHKBER-CYBMUJFWSA-N 2 2 288.395 1.260 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001571409397 1170417104 /nfs/dbraw/zinc/41/71/04/1170417104.db2.gz MJBJUXCBPLKCFB-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571488917 1170451969 /nfs/dbraw/zinc/45/19/69/1170451969.db2.gz KBSILRFRLQAOIU-STQMWFEESA-N 2 2 276.384 1.497 10 30 CDEELP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001656448558 1171825816 /nfs/dbraw/zinc/82/58/16/1171825816.db2.gz RSGSVEKTKBLJGK-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001690370310 1175451626 /nfs/dbraw/zinc/45/16/26/1175451626.db2.gz RJCYBANWUVKSBA-MELADBBJSA-N 2 2 276.384 1.475 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691925685 1175652101 /nfs/dbraw/zinc/65/21/01/1175652101.db2.gz RRCMGUCKUOVZNR-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691925685 1175652105 /nfs/dbraw/zinc/65/21/05/1175652105.db2.gz RRCMGUCKUOVZNR-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001698846873 1175961436 /nfs/dbraw/zinc/96/14/36/1175961436.db2.gz DPLWGJIEWMOWOO-QWHCGFSZSA-N 2 2 278.400 1.743 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001698901706 1175981773 /nfs/dbraw/zinc/98/17/73/1175981773.db2.gz PQTWKGWAYYLBLE-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699850281 1176655621 /nfs/dbraw/zinc/65/56/21/1176655621.db2.gz YCOMOFPXSVYYBC-GOEBONIOSA-N 2 2 290.411 1.848 10 30 CDEELP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001713409898 1178544088 /nfs/dbraw/zinc/54/40/88/1178544088.db2.gz CDPRNZUYTGJIGU-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001713606638 1178678783 /nfs/dbraw/zinc/67/87/83/1178678783.db2.gz JRHNMEKGYHCELO-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713932254 1178859405 /nfs/dbraw/zinc/85/94/05/1178859405.db2.gz FNBAKFQIYGIMJR-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001714047640 1178945548 /nfs/dbraw/zinc/94/55/48/1178945548.db2.gz DUJLMTWEBJYFHC-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001714047640 1178945555 /nfs/dbraw/zinc/94/55/55/1178945555.db2.gz DUJLMTWEBJYFHC-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714614132 1179267543 /nfs/dbraw/zinc/26/75/43/1179267543.db2.gz WGYGJNWJGSULCG-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714614132 1179267549 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C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001715414716 1179661520 /nfs/dbraw/zinc/66/15/20/1179661520.db2.gz PLSVSVMBOPZZNY-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001715506298 1179687101 /nfs/dbraw/zinc/68/71/01/1179687101.db2.gz LZLDKIVYTYXSQF-OAHLLOKOSA-N 2 2 292.427 1.957 10 30 CDEELP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001716875230 1180450150 /nfs/dbraw/zinc/45/01/50/1180450150.db2.gz JJDQOIXEYPUZKS-ZBFHGGJFSA-N 2 2 288.395 1.296 10 30 CDEELP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001716993629 1180495144 /nfs/dbraw/zinc/49/51/44/1180495144.db2.gz LZTJEYBAKPTWFS-OLZOCXBDSA-N 2 2 290.411 1.557 10 30 CDEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001724950252 1181805547 /nfs/dbraw/zinc/80/55/47/1181805547.db2.gz SITLXPJCRLVMOK-DZGCQCFKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001731450885 1182394764 /nfs/dbraw/zinc/39/47/64/1182394764.db2.gz QQNYSNOOFKARPO-RBSFLKMASA-N 2 2 290.411 1.865 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001731600666 1182472681 /nfs/dbraw/zinc/47/26/81/1182472681.db2.gz KTBPDIAAZRDRBB-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732077223 1182753996 /nfs/dbraw/zinc/75/39/96/1182753996.db2.gz AFSSFHWRSAFNQK-CYBMUJFWSA-N 2 2 276.384 1.309 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001732077223 1182754002 /nfs/dbraw/zinc/75/40/02/1182754002.db2.gz AFSSFHWRSAFNQK-CYBMUJFWSA-N 2 2 276.384 1.309 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001732173595 1182831581 /nfs/dbraw/zinc/83/15/81/1182831581.db2.gz QQTCLYZNKZPAIH-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001732173595 1182831590 /nfs/dbraw/zinc/83/15/90/1182831590.db2.gz QQTCLYZNKZPAIH-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001732569407 1183014482 /nfs/dbraw/zinc/01/44/82/1183014482.db2.gz YFVKSNFNIFSWRL-DZGCQCFKSA-N 2 2 290.411 1.342 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001732569407 1183014488 /nfs/dbraw/zinc/01/44/88/1183014488.db2.gz YFVKSNFNIFSWRL-DZGCQCFKSA-N 2 2 290.411 1.342 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001733185028 1183322900 /nfs/dbraw/zinc/32/29/00/1183322900.db2.gz NSYYHTXOPOWKHQ-FZMZJTMJSA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001733185028 1183322907 /nfs/dbraw/zinc/32/29/07/1183322907.db2.gz NSYYHTXOPOWKHQ-FZMZJTMJSA-N 2 2 276.384 1.259 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001733230329 1183357626 /nfs/dbraw/zinc/35/76/26/1183357626.db2.gz GCVYYFOVFXSDTG-OCCSQVGLSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001733230329 1183357633 /nfs/dbraw/zinc/35/76/33/1183357633.db2.gz GCVYYFOVFXSDTG-OCCSQVGLSA-N 2 2 290.411 1.806 10 30 CDEELP C=CC[NH+]1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001733316432 1183393351 /nfs/dbraw/zinc/39/33/51/1183393351.db2.gz AUFKPZGYPYQSEY-UHFFFAOYSA-N 2 2 279.428 1.581 10 30 CDEELP C=CCC[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001733360204 1183409543 /nfs/dbraw/zinc/40/95/43/1183409543.db2.gz PVGUPXNJFXJRFB-UHFFFAOYSA-N 2 2 290.411 1.820 10 30 CDEELP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733426554 1183430134 /nfs/dbraw/zinc/43/01/34/1183430134.db2.gz HPCQXLUQJRSFDA-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733426554 1183430136 /nfs/dbraw/zinc/43/01/36/1183430136.db2.gz HPCQXLUQJRSFDA-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001733556950 1183465624 /nfs/dbraw/zinc/46/56/24/1183465624.db2.gz LELVFAYVGBBTBI-KGLIPLIRSA-N 2 2 290.411 1.603 10 30 CDEELP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001733998851 1183609542 /nfs/dbraw/zinc/60/95/42/1183609542.db2.gz QNTOYLFNROTIHI-RYUDHWBXSA-N 2 2 264.373 1.401 10 30 CDEELP C=C(C)C[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001734635277 1183855221 /nfs/dbraw/zinc/85/52/21/1183855221.db2.gz IVKHWMLBZHLVAF-UHFFFAOYSA-N 2 2 274.368 1.277 10 30 CDEELP C=C(C)C[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001734635277 1183855225 /nfs/dbraw/zinc/85/52/25/1183855225.db2.gz IVKHWMLBZHLVAF-UHFFFAOYSA-N 2 2 274.368 1.277 10 30 CDEELP CC[C@]1(C)CCN(C(NC[C@H]2C[N@H+](C)CCO2)=[NH+]C)C1 ZINC000261811769 741726545 /nfs/dbraw/zinc/72/65/45/741726545.db2.gz SQVZFIOWAIIXER-DZGCQCFKSA-N 2 2 282.432 1.014 10 30 CDEELP CC[C@]1(C)CCN(C(NC[C@H]2C[N@@H+](C)CCO2)=[NH+]C)C1 ZINC000261811769 741726550 /nfs/dbraw/zinc/72/65/50/741726550.db2.gz SQVZFIOWAIIXER-DZGCQCFKSA-N 2 2 282.432 1.014 10 30 CDEELP C#CCC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001567041012 1168525033 /nfs/dbraw/zinc/52/50/33/1168525033.db2.gz WUOPRTCHTJBIGW-CYBMUJFWSA-N 2 2 273.380 1.738 10 30 CDEELP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001567176373 1168605435 /nfs/dbraw/zinc/60/54/35/1168605435.db2.gz LEWOIEXMAROFDB-KBPBESRZSA-N 2 2 288.395 1.003 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266344023 894472668 /nfs/dbraw/zinc/47/26/68/894472668.db2.gz BLHLPXHBGCFQFP-UONOGXRCSA-N 2 2 276.384 1.601 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266344023 894472673 /nfs/dbraw/zinc/47/26/73/894472673.db2.gz BLHLPXHBGCFQFP-UONOGXRCSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001567740908 1168943674 /nfs/dbraw/zinc/94/36/74/1168943674.db2.gz GPILLUDYBRKKMU-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001268344017 901892162 /nfs/dbraw/zinc/89/21/62/901892162.db2.gz VFAFLMZPBQVHAV-LBPRGKRZSA-N 2 2 276.384 1.347 10 30 CDEELP C#CC[NH2+]CCN(CC)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001268457608 902155464 /nfs/dbraw/zinc/15/54/64/902155464.db2.gz KAFGWTNNGHYPCH-OAHLLOKOSA-N 2 2 290.411 1.542 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001270143565 904395356 /nfs/dbraw/zinc/39/53/56/904395356.db2.gz LKYBORIJHNPFIW-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001270143565 904395369 /nfs/dbraw/zinc/39/53/69/904395369.db2.gz LKYBORIJHNPFIW-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001482358750 905194890 /nfs/dbraw/zinc/19/48/90/905194890.db2.gz SRMVWYLUNDGOIP-NSHDSACASA-N 2 2 264.373 1.273 10 30 CDEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001271720474 906629904 /nfs/dbraw/zinc/62/99/04/906629904.db2.gz BMHFZFPZILGXDG-KGLIPLIRSA-N 2 2 276.384 1.143 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484338494 915647724 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10 30 CDEELP C=CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001276594302 940395897 /nfs/dbraw/zinc/39/58/97/940395897.db2.gz XNJPJIYWEBLECL-ZDUSSCGKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001276594302 940395898 /nfs/dbraw/zinc/39/58/98/940395898.db2.gz XNJPJIYWEBLECL-ZDUSSCGKSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001281450678 942578231 /nfs/dbraw/zinc/57/82/31/942578231.db2.gz NWYGUVRBQCBWJD-OCCSQVGLSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001277819926 943697110 /nfs/dbraw/zinc/69/71/10/943697110.db2.gz SJOPEYULVYRMSQ-LBPRGKRZSA-N 2 2 286.379 1.879 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001277827374 943725727 /nfs/dbraw/zinc/72/57/27/943725727.db2.gz WGMBMEIVAYTSGZ-CYBMUJFWSA-N 2 2 290.411 1.384 10 30 CDEELP C#CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001264123097 944083585 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CDEELP CC#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001493382692 972038462 /nfs/dbraw/zinc/03/84/62/972038462.db2.gz UNRMXUSIYQIGBG-OAHLLOKOSA-N 2 2 277.412 1.075 10 30 CDEELP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001493382692 972038467 /nfs/dbraw/zinc/03/84/67/972038467.db2.gz UNRMXUSIYQIGBG-OAHLLOKOSA-N 2 2 277.412 1.075 10 30 CDEELP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001493382692 972038472 /nfs/dbraw/zinc/03/84/72/972038472.db2.gz UNRMXUSIYQIGBG-OAHLLOKOSA-N 2 2 277.412 1.075 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001331614603 957167392 /nfs/dbraw/zinc/16/73/92/957167392.db2.gz HXJHBTFPOVXCRW-GFCCVEGCSA-N 2 2 276.384 1.147 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001319207189 958431933 /nfs/dbraw/zinc/43/19/33/958431933.db2.gz HODKZPSQTZBWIG-CYBMUJFWSA-N 2 2 290.411 1.292 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001319663397 958678230 /nfs/dbraw/zinc/67/82/30/958678230.db2.gz MZLUQVBRMQXYQV-HNNXBMFYSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001369426864 959678588 /nfs/dbraw/zinc/67/85/88/959678588.db2.gz HPJHBIDLHYYPBU-OLZOCXBDSA-N 2 2 296.802 1.510 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001369426846 959680186 /nfs/dbraw/zinc/68/01/86/959680186.db2.gz HPJHBIDLHYYPBU-CHWSQXEVSA-N 2 2 296.802 1.510 10 30 CDEELP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001495280807 972462851 /nfs/dbraw/zinc/46/28/51/972462851.db2.gz JXKPCHNVTHQULW-MLGOLLRUSA-N 2 2 288.395 1.096 10 30 CDEELP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001495280807 972462858 /nfs/dbraw/zinc/46/28/58/972462858.db2.gz JXKPCHNVTHQULW-MLGOLLRUSA-N 2 2 288.395 1.096 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001495280479 972464126 /nfs/dbraw/zinc/46/41/26/972464126.db2.gz ICNUQFGPQZLPSE-BBRMVZONSA-N 2 2 290.411 1.895 10 30 CDEELP 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MDKUHZSKPWVPPL-CYBMUJFWSA-N 2 2 292.345 1.767 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322281214 960166384 /nfs/dbraw/zinc/16/63/84/960166384.db2.gz MBBHQTAVJFSWLB-KBPBESRZSA-N 2 2 292.427 1.754 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322281214 960166390 /nfs/dbraw/zinc/16/63/90/960166390.db2.gz MBBHQTAVJFSWLB-KBPBESRZSA-N 2 2 292.427 1.754 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001442653747 965163902 /nfs/dbraw/zinc/16/39/02/965163902.db2.gz HCUFSWRIRVDCRU-UHFFFAOYSA-N 2 2 277.368 1.441 10 30 CDEELP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001497416151 973338542 /nfs/dbraw/zinc/33/85/42/973338542.db2.gz QQVOZFWWZYBDGR-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001498061534 973653681 /nfs/dbraw/zinc/65/36/81/973653681.db2.gz CJPBYMLTBHYHJG-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001499991957 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/nfs/dbraw/zinc/90/66/17/342906617.db2.gz ZRQNZJDOSAFWIW-CYBMUJFWSA-N 2 2 289.383 1.527 10 30 CDEELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C[N@@H+]1C1CC1 ZINC000600729920 342245637 /nfs/dbraw/zinc/24/56/37/342245637.db2.gz JPBKSUNXZJUBRW-YRGRVCCFSA-N 2 2 263.385 1.256 10 30 CDEELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C[N@H+]1C1CC1 ZINC000600729920 342245638 /nfs/dbraw/zinc/24/56/38/342245638.db2.gz JPBKSUNXZJUBRW-YRGRVCCFSA-N 2 2 263.385 1.256 10 30 CDEELP N#CCc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000563153630 359133034 /nfs/dbraw/zinc/13/30/34/359133034.db2.gz CMFSJNBGEJTCME-IAGOWNOFSA-N 2 2 285.391 1.609 10 30 CDEELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836395 374368266 /nfs/dbraw/zinc/36/82/66/374368266.db2.gz SXNUGSBXHOKKHK-SNVBAGLBSA-N 2 2 250.371 1.446 10 30 CDEELP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836395 374368270 /nfs/dbraw/zinc/36/82/70/374368270.db2.gz SXNUGSBXHOKKHK-SNVBAGLBSA-N 2 2 250.371 1.446 10 30 CDEELP C=C1CC(C)(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000631625143 376422038 /nfs/dbraw/zinc/42/20/38/376422038.db2.gz KJMUWESIBRHAAZ-UHFFFAOYSA-N 2 2 279.428 1.485 10 30 CDEELP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069596928 378382826 /nfs/dbraw/zinc/38/28/26/378382826.db2.gz DVBARXGXGABDIX-MRXNPFEDSA-N 2 2 293.455 1.877 10 30 CDEELP C=CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069596928 378382831 /nfs/dbraw/zinc/38/28/31/378382831.db2.gz DVBARXGXGABDIX-MRXNPFEDSA-N 2 2 293.455 1.877 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292113481 378488806 /nfs/dbraw/zinc/48/88/06/378488806.db2.gz JJMCQFCGYXOJGB-DOTOQJQBSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292113481 378488809 /nfs/dbraw/zinc/48/88/09/378488809.db2.gz JJMCQFCGYXOJGB-DOTOQJQBSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292113481 378488812 /nfs/dbraw/zinc/48/88/12/378488812.db2.gz JJMCQFCGYXOJGB-DOTOQJQBSA-N 2 2 291.439 1.603 10 30 CDEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292113481 378488815 /nfs/dbraw/zinc/48/88/15/378488815.db2.gz JJMCQFCGYXOJGB-DOTOQJQBSA-N 2 2 291.439 1.603 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045314330 175357489 /nfs/dbraw/zinc/35/74/89/175357489.db2.gz HHQYQTDTCMUVPZ-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000045314330 175357490 /nfs/dbraw/zinc/35/74/90/175357490.db2.gz HHQYQTDTCMUVPZ-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[NH+](CCOC)CCOC ZINC000045318568 175358695 /nfs/dbraw/zinc/35/86/95/175358695.db2.gz NOUNFDJNFLQUJB-OAHLLOKOSA-N 2 2 285.432 1.643 10 30 CDEELP C[N@@H+](CC(=O)Nc1ccccc1C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071189113 176065040 /nfs/dbraw/zinc/06/50/40/176065040.db2.gz GDAKXYWFSMLCOL-CYBMUJFWSA-N 2 2 286.379 1.380 10 30 CDEELP C[N@H+](CC(=O)Nc1ccccc1C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071189113 176065041 /nfs/dbraw/zinc/06/50/41/176065041.db2.gz GDAKXYWFSMLCOL-CYBMUJFWSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1ccccc1C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000071189113 176065043 /nfs/dbraw/zinc/06/50/43/176065043.db2.gz GDAKXYWFSMLCOL-CYBMUJFWSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1ccccc1C#N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189113 176065044 /nfs/dbraw/zinc/06/50/44/176065044.db2.gz GDAKXYWFSMLCOL-CYBMUJFWSA-N 2 2 286.379 1.380 10 30 CDEELP C[C@@H]1CC[N@H+](CCOCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000293915390 263152170 /nfs/dbraw/zinc/15/21/70/263152170.db2.gz XHSQGRHVDDYNLK-KGLIPLIRSA-N 2 2 262.357 1.696 10 30 CDEELP C[C@@H]1CC[N@@H+](CCOCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000293915390 263152171 /nfs/dbraw/zinc/15/21/71/263152171.db2.gz XHSQGRHVDDYNLK-KGLIPLIRSA-N 2 2 262.357 1.696 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001667210379 1173246183 /nfs/dbraw/zinc/24/61/83/1173246183.db2.gz IAIVBFJKEGGVQY-TZMCWYRMSA-N 2 2 288.395 1.111 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001667346959 1173257575 /nfs/dbraw/zinc/25/75/75/1173257575.db2.gz UFQJJUHFAAJVCG-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001667595985 1173295395 /nfs/dbraw/zinc/29/53/95/1173295395.db2.gz MFEXZHSILPZGKE-UHFFFAOYSA-N 2 2 286.379 1.914 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001667595985 1173295398 /nfs/dbraw/zinc/29/53/98/1173295398.db2.gz MFEXZHSILPZGKE-UHFFFAOYSA-N 2 2 286.379 1.914 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001669328395 1173536644 /nfs/dbraw/zinc/53/66/44/1173536644.db2.gz AZOQTNMEPNEUIB-GFCCVEGCSA-N 2 2 277.368 1.303 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000677133054 482469253 /nfs/dbraw/zinc/46/92/53/482469253.db2.gz FTGHMAGXSHYXKN-AWEZNQCLSA-N 2 2 260.385 1.340 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609198 524040333 /nfs/dbraw/zinc/04/03/33/524040333.db2.gz RWAHZIPUYUPWJF-UHFFFAOYSA-N 3 2 271.408 1.523 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000756903124 577014028 /nfs/dbraw/zinc/01/40/28/577014028.db2.gz KMZKDHPNMJWMAS-CJNGLKHVSA-N 2 2 258.365 1.738 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000756903124 577014030 /nfs/dbraw/zinc/01/40/30/577014030.db2.gz KMZKDHPNMJWMAS-CJNGLKHVSA-N 2 2 258.365 1.738 10 30 CDEELP C#CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941187432 613259652 /nfs/dbraw/zinc/25/96/52/613259652.db2.gz XARAJVMHYGCVDJ-AWEZNQCLSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941187432 613259654 /nfs/dbraw/zinc/25/96/54/613259654.db2.gz XARAJVMHYGCVDJ-AWEZNQCLSA-N 2 2 288.395 1.111 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924983747 618538825 /nfs/dbraw/zinc/53/88/25/618538825.db2.gz FOQCXMPSMADHIR-HOCLYGCPSA-N 2 2 263.429 1.711 10 30 CDEELP CC(C)C[C@H](C(=O)NCC#CC[NH+](C)C)n1cc[nH+]c1 ZINC000913523730 630515907 /nfs/dbraw/zinc/51/59/07/630515907.db2.gz JXTZIYUYCGRBPT-CQSZACIVSA-N 2 2 276.384 1.152 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001266988512 1159070079 /nfs/dbraw/zinc/07/00/79/1159070079.db2.gz BIBJELRTZDZLTP-ZDUSSCGKSA-N 2 2 278.400 1.413 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267558499 1159459735 /nfs/dbraw/zinc/45/97/35/1159459735.db2.gz BOQALYFQYANXTE-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267558499 1159459737 /nfs/dbraw/zinc/45/97/37/1159459737.db2.gz BOQALYFQYANXTE-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267558499 1159459727 /nfs/dbraw/zinc/45/97/27/1159459727.db2.gz BOQALYFQYANXTE-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267558499 1159459730 /nfs/dbraw/zinc/45/97/30/1159459730.db2.gz BOQALYFQYANXTE-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001272289028 1161064147 /nfs/dbraw/zinc/06/41/47/1161064147.db2.gz FYZFLMRRJPGECX-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565835807 1168178614 /nfs/dbraw/zinc/17/86/14/1168178614.db2.gz VECZHNAVSUWDQT-IAGOWNOFSA-N 2 2 299.418 1.455 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565835807 1168178619 /nfs/dbraw/zinc/17/86/19/1168178619.db2.gz VECZHNAVSUWDQT-IAGOWNOFSA-N 2 2 299.418 1.455 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001567740908 1168943664 /nfs/dbraw/zinc/94/36/64/1168943664.db2.gz GPILLUDYBRKKMU-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001662646990 1172575221 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30 CDEELP C=CC[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001690156831 1175390642 /nfs/dbraw/zinc/39/06/42/1175390642.db2.gz QUJSJMJIMRZIGU-CQSZACIVSA-N 2 2 290.411 1.597 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690342059 1175443116 /nfs/dbraw/zinc/44/31/16/1175443116.db2.gz YLLCVAADXWHEOA-AEGPPILISA-N 2 2 290.411 1.934 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690342059 1175443120 /nfs/dbraw/zinc/44/31/20/1175443120.db2.gz YLLCVAADXWHEOA-AEGPPILISA-N 2 2 290.411 1.934 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001690407920 1175465476 /nfs/dbraw/zinc/46/54/76/1175465476.db2.gz TZLUKYFBLBKBMP-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001690407920 1175465482 /nfs/dbraw/zinc/46/54/82/1175465482.db2.gz TZLUKYFBLBKBMP-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690436734 1175470066 /nfs/dbraw/zinc/47/00/66/1175470066.db2.gz PDBLWSVETJKAML-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690760051 1175565753 /nfs/dbraw/zinc/56/57/53/1175565753.db2.gz MNCYDKGPCLXGCN-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001692381369 1175756161 /nfs/dbraw/zinc/75/61/61/1175756161.db2.gz WCWCIUCTPIFQKJ-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001692381369 1175756166 /nfs/dbraw/zinc/75/61/66/1175756166.db2.gz WCWCIUCTPIFQKJ-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[NH+]1CCC(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001698724082 1175903740 /nfs/dbraw/zinc/90/37/40/1175903740.db2.gz FLBBESUIPURNKB-UHFFFAOYSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@@H+](C)CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001700972467 1177219773 /nfs/dbraw/zinc/21/97/73/1177219773.db2.gz JENNHWSDYAJRCN-UHFFFAOYSA-N 2 2 278.400 1.628 10 30 CDEELP C=CC[N@H+](C)CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001700972467 1177219783 /nfs/dbraw/zinc/21/97/83/1177219783.db2.gz JENNHWSDYAJRCN-UHFFFAOYSA-N 2 2 278.400 1.628 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707064635 1177935821 /nfs/dbraw/zinc/93/58/21/1177935821.db2.gz YOJDLUVXWHGLNM-HZPDHXFCSA-N 2 2 291.439 1.273 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707064635 1177935828 /nfs/dbraw/zinc/93/58/28/1177935828.db2.gz YOJDLUVXWHGLNM-HZPDHXFCSA-N 2 2 291.439 1.273 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713193573 1178423350 /nfs/dbraw/zinc/42/33/50/1178423350.db2.gz BDQDYSJTNTVHJM-BETUJISGSA-N 2 2 262.357 1.155 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713193573 1178423353 /nfs/dbraw/zinc/42/33/53/1178423353.db2.gz BDQDYSJTNTVHJM-BETUJISGSA-N 2 2 262.357 1.155 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001713265078 1178459456 /nfs/dbraw/zinc/45/94/56/1178459456.db2.gz QRXMAKDYLZXRFL-CQSZACIVSA-N 2 2 296.374 1.552 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713359614 1178519543 /nfs/dbraw/zinc/51/95/43/1178519543.db2.gz YPHNOKJMZNKQFS-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001714433475 1179138320 /nfs/dbraw/zinc/13/83/20/1179138320.db2.gz DELYQNAMXUUQRF-LBPRGKRZSA-N 2 2 264.373 1.260 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715154089 1179565395 /nfs/dbraw/zinc/56/53/95/1179565395.db2.gz KDOITBUDCQXDKJ-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001715390322 1179654176 /nfs/dbraw/zinc/65/41/76/1179654176.db2.gz GRZGSONDJGMIAH-CYBMUJFWSA-N 2 2 278.400 1.567 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001715455959 1179671574 /nfs/dbraw/zinc/67/15/74/1179671574.db2.gz NOYNSLMWPIDXET-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP 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/nfs/dbraw/zinc/82/37/25/943823725.db2.gz GLVWITWBXLODRY-QJPTWQEYSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001277853443 943823731 /nfs/dbraw/zinc/82/37/31/943823731.db2.gz GLVWITWBXLODRY-QJPTWQEYSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279039147 948631891 /nfs/dbraw/zinc/63/18/91/948631891.db2.gz RZWXJWDMBRPOHS-DGCLKSJQSA-N 2 2 276.384 1.273 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001569021424 1169599533 /nfs/dbraw/zinc/59/95/33/1169599533.db2.gz YJVMRLBQBNSUKF-VXGBXAGGSA-N 2 2 250.346 1.115 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480255505 971649856 /nfs/dbraw/zinc/64/98/56/971649856.db2.gz YDPGRQDOVOMFBE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480255505 971649860 /nfs/dbraw/zinc/64/98/60/971649860.db2.gz YDPGRQDOVOMFBE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480255505 971649864 /nfs/dbraw/zinc/64/98/64/971649864.db2.gz YDPGRQDOVOMFBE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480255505 971649868 /nfs/dbraw/zinc/64/98/68/971649868.db2.gz YDPGRQDOVOMFBE-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480578587 971793284 /nfs/dbraw/zinc/79/32/84/971793284.db2.gz BASUGMNKDRIZBZ-NSHDSACASA-N 2 2 264.373 1.321 10 30 CDEELP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001324961469 953656224 /nfs/dbraw/zinc/65/62/24/953656224.db2.gz RNPXDPBZAHFJNX-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001324961469 953656233 /nfs/dbraw/zinc/65/62/33/953656233.db2.gz RNPXDPBZAHFJNX-INIZCTEOSA-N 2 2 288.395 1.194 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001326855610 954592206 /nfs/dbraw/zinc/59/22/06/954592206.db2.gz KSMMGXPMDNGTII-UHFFFAOYSA-N 2 2 282.347 1.210 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001327228853 954785842 /nfs/dbraw/zinc/78/58/42/954785842.db2.gz BABOTENOQJUUJF-UHFFFAOYSA-N 2 2 298.390 1.752 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001327228853 954785854 /nfs/dbraw/zinc/78/58/54/954785854.db2.gz BABOTENOQJUUJF-UHFFFAOYSA-N 2 2 298.390 1.752 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001330611366 956515469 /nfs/dbraw/zinc/51/54/69/956515469.db2.gz YAIKFBHUGSXBSV-MQMHXKEQSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001330611366 956515478 /nfs/dbraw/zinc/51/54/78/956515478.db2.gz YAIKFBHUGSXBSV-MQMHXKEQSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001423945750 957049547 /nfs/dbraw/zinc/04/95/47/957049547.db2.gz HRNFIXKTBPFLTC-AAEUAGOBSA-N 2 2 296.802 1.320 10 30 CDEELP C=CC[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001494502716 972242743 /nfs/dbraw/zinc/24/27/43/972242743.db2.gz ZNLWSPLBUUCJLP-UHFFFAOYSA-N 2 2 265.401 1.239 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001331631300 957176466 /nfs/dbraw/zinc/17/64/66/957176466.db2.gz XIPGARIBPOYNNI-LBPRGKRZSA-N 2 2 278.400 1.663 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001318529406 958158710 /nfs/dbraw/zinc/15/87/10/958158710.db2.gz LNBCJJJUNUDQKU-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001318529406 958158718 /nfs/dbraw/zinc/15/87/18/958158718.db2.gz LNBCJJJUNUDQKU-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001318538504 958160618 /nfs/dbraw/zinc/16/06/18/958160618.db2.gz UJTRBYCCMCITCP-MGPQQGTHSA-N 2 2 290.411 1.964 10 30 CDEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001318538504 958160624 /nfs/dbraw/zinc/16/06/24/958160624.db2.gz UJTRBYCCMCITCP-MGPQQGTHSA-N 2 2 290.411 1.964 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001319708534 958696414 /nfs/dbraw/zinc/69/64/14/958696414.db2.gz DDZOSBJJXUSAOU-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001495303756 972468461 /nfs/dbraw/zinc/46/84/61/972468461.db2.gz RIFUWVODSMANAS-OAHLLOKOSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001323358066 960680219 /nfs/dbraw/zinc/68/02/19/960680219.db2.gz RCSBTAWTGSRYOH-JKSUJKDBSA-N 2 2 293.455 1.873 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001323358066 960680233 /nfs/dbraw/zinc/68/02/33/960680233.db2.gz RCSBTAWTGSRYOH-JKSUJKDBSA-N 2 2 293.455 1.873 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001324235007 961250364 /nfs/dbraw/zinc/25/03/64/961250364.db2.gz KGJQDQDUZMXKLJ-ZFWWWQNUSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001324340687 961315897 /nfs/dbraw/zinc/31/58/97/961315897.db2.gz XSCNTGMASBAMTE-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[C@H]([NH3+])C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001340947225 963207294 /nfs/dbraw/zinc/20/72/94/963207294.db2.gz QOKUDGUGZBMWOL-LBPRGKRZSA-N 2 2 296.440 1.505 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325614 963724508 /nfs/dbraw/zinc/72/45/08/963724508.db2.gz LETGEIRAAJOJLD-GXTWGEPZSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325614 963724511 /nfs/dbraw/zinc/72/45/11/963724511.db2.gz LETGEIRAAJOJLD-GXTWGEPZSA-N 2 2 299.846 1.517 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1snc(OC)c1Cl ZINC001474163340 969860317 /nfs/dbraw/zinc/86/03/17/969860317.db2.gz QFLQOXAQJHJVDE-UHFFFAOYSA-N 2 2 287.816 1.850 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1snc(OC)c1Cl ZINC001474163340 969860325 /nfs/dbraw/zinc/86/03/25/969860325.db2.gz QFLQOXAQJHJVDE-UHFFFAOYSA-N 2 2 287.816 1.850 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001496182502 972828580 /nfs/dbraw/zinc/82/85/80/972828580.db2.gz FKEQTKJOOVQBKL-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001496182502 972828586 /nfs/dbraw/zinc/82/85/86/972828586.db2.gz FKEQTKJOOVQBKL-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001501715249 974629370 /nfs/dbraw/zinc/62/93/70/974629370.db2.gz ACWXLHZKCXMLGI-HDJSIYSDSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001505948581 975056187 /nfs/dbraw/zinc/05/61/87/975056187.db2.gz QVVGQFPVZHOSIR-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001505948581 975056191 /nfs/dbraw/zinc/05/61/91/975056191.db2.gz QVVGQFPVZHOSIR-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001506026951 975092870 /nfs/dbraw/zinc/09/28/70/975092870.db2.gz BEPGRWRPHAPPKO-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001506026951 975092877 /nfs/dbraw/zinc/09/28/77/975092877.db2.gz BEPGRWRPHAPPKO-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 CDEELP C=C(C)C[NH2+][C@H](CCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001506996367 975289241 /nfs/dbraw/zinc/28/92/41/975289241.db2.gz ZQVKJIHKWFOKSY-OAHLLOKOSA-N 2 2 292.427 1.659 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001507422481 975464468 /nfs/dbraw/zinc/46/44/68/975464468.db2.gz TXCBBSLYHZYFGN-KBPBESRZSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001569815303 1170003820 /nfs/dbraw/zinc/00/38/20/1170003820.db2.gz DTOVHZPICCZESN-UONOGXRCSA-N 2 2 276.384 1.286 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C\Cl ZINC001674943711 1174041218 /nfs/dbraw/zinc/04/12/18/1174041218.db2.gz NMZFCUFUQLNPDN-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C\Cl ZINC001674943711 1174041224 /nfs/dbraw/zinc/04/12/24/1174041224.db2.gz NMZFCUFUQLNPDN-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)C/C=C\Cl ZINC001674943711 1174041231 /nfs/dbraw/zinc/04/12/31/1174041231.db2.gz NMZFCUFUQLNPDN-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)C/C=C\Cl ZINC001674943711 1174041237 /nfs/dbraw/zinc/04/12/37/1174041237.db2.gz NMZFCUFUQLNPDN-KQYOJSHESA-N 2 2 297.830 1.273 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571278376 1170359013 /nfs/dbraw/zinc/35/90/13/1170359013.db2.gz YKVMICJAPAPHKL-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571488914 1170452164 /nfs/dbraw/zinc/45/21/64/1170452164.db2.gz KBSILRFRLQAOIU-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000594437202 342905675 /nfs/dbraw/zinc/90/56/75/342905675.db2.gz JESSUBNDFFZITK-GFCCVEGCSA-N 2 2 271.324 1.684 10 30 CDEELP CCC1([NH+]2CCOCC2)CC[NH+](CC#CCOC)CC1 ZINC000626088486 342301064 /nfs/dbraw/zinc/30/10/64/342301064.db2.gz AMONSPSSCZXTKJ-UHFFFAOYSA-N 2 2 280.412 1.213 10 30 CDEELP C#CCC[NH+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000091480615 342404380 /nfs/dbraw/zinc/40/43/80/342404380.db2.gz IRIAXLGLLXOEMZ-UHFFFAOYSA-N 2 2 296.378 1.116 10 30 CDEELP C[C@H](CC#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597213289 343476483 /nfs/dbraw/zinc/47/64/83/343476483.db2.gz JNFSSYCCKJONBM-HIFRSBDPSA-N 2 2 292.427 1.163 10 30 CDEELP C[C@H](CC#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597213289 343476485 /nfs/dbraw/zinc/47/64/85/343476485.db2.gz JNFSSYCCKJONBM-HIFRSBDPSA-N 2 2 292.427 1.163 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000610994392 346566045 /nfs/dbraw/zinc/56/60/45/346566045.db2.gz GCTAVEKPGJBUNT-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1C ZINC000610994392 346566048 /nfs/dbraw/zinc/56/60/48/346566048.db2.gz GCTAVEKPGJBUNT-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994392 346566051 /nfs/dbraw/zinc/56/60/51/346566051.db2.gz GCTAVEKPGJBUNT-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994392 346566055 /nfs/dbraw/zinc/56/60/55/346566055.db2.gz GCTAVEKPGJBUNT-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261939742 359097397 /nfs/dbraw/zinc/09/73/97/359097397.db2.gz MPWPLEPQQFRHED-BBWFWOEESA-N 3 2 293.455 1.384 10 30 CDEELP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C#N ZINC000433284457 361227180 /nfs/dbraw/zinc/22/71/80/361227180.db2.gz GAPLNWDQMPQKML-UHFFFAOYSA-N 2 2 292.427 1.211 10 30 CDEELP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C#N ZINC000433284457 361227181 /nfs/dbraw/zinc/22/71/81/361227181.db2.gz GAPLNWDQMPQKML-UHFFFAOYSA-N 2 2 292.427 1.211 10 30 CDEELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000386384370 366986914 /nfs/dbraw/zinc/98/69/14/366986914.db2.gz SFNAZWSJURSOHE-NSHDSACASA-N 2 2 264.398 1.835 10 30 CDEELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000386384370 366986916 /nfs/dbraw/zinc/98/69/16/366986916.db2.gz SFNAZWSJURSOHE-NSHDSACASA-N 2 2 264.398 1.835 10 30 CDEELP C#CC[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001661739249 1172438415 /nfs/dbraw/zinc/43/84/15/1172438415.db2.gz OFUSAIDEAGINET-LSDHHAIUSA-N 2 2 288.395 1.296 10 30 CDEELP C#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001661739249 1172438418 /nfs/dbraw/zinc/43/84/18/1172438418.db2.gz OFUSAIDEAGINET-LSDHHAIUSA-N 2 2 288.395 1.296 10 30 CDEELP N#Cc1ccc2ncc(C[NH2+]CCCn3cc[nH+]c3)n2c1 ZINC000123138166 373982100 /nfs/dbraw/zinc/98/21/00/373982100.db2.gz VJCOMEXNUXDOFR-UHFFFAOYSA-N 2 2 280.335 1.582 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001661938477 1172469718 /nfs/dbraw/zinc/46/97/18/1172469718.db2.gz ULBKQMWCOCKJRU-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328598634 375918965 /nfs/dbraw/zinc/91/89/65/375918965.db2.gz BHOPYQYUFPUEET-QWHCGFSZSA-N 2 2 291.399 1.358 10 30 CDEELP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328598634 375918970 /nfs/dbraw/zinc/91/89/70/375918970.db2.gz BHOPYQYUFPUEET-QWHCGFSZSA-N 2 2 291.399 1.358 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001662224887 1172510998 /nfs/dbraw/zinc/51/09/98/1172510998.db2.gz KMAYKDRRPRVRPB-GFCCVEGCSA-N 2 2 276.384 1.042 10 30 CDEELP C=C(C)CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001663769885 1172759081 /nfs/dbraw/zinc/75/90/81/1172759081.db2.gz ZGAJFNFVDIEGLO-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001663769885 1172759087 /nfs/dbraw/zinc/75/90/87/1172759087.db2.gz ZGAJFNFVDIEGLO-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000662691551 413323899 /nfs/dbraw/zinc/32/38/99/413323899.db2.gz SWAVXUDGINCLNH-HNNXBMFYSA-N 2 2 276.384 1.478 10 30 CDEELP N#Cc1ccsc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513289 175189022 /nfs/dbraw/zinc/18/90/22/175189022.db2.gz FHDXJANPQUVEMT-UHFFFAOYSA-N 2 2 278.381 1.229 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306074 175355743 /nfs/dbraw/zinc/35/57/43/175355743.db2.gz BKRKIWPNXSXCNI-HNNXBMFYSA-N 2 2 280.416 1.246 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCCC[NH+]1CCOCC1 ZINC000045306743 175355875 /nfs/dbraw/zinc/35/58/75/175355875.db2.gz VVJVWLUISRMEFD-AWEZNQCLSA-N 2 2 253.390 1.771 10 30 CDEELP CCC[NH+]1CCN(CCC[C@](C)(C#N)[NH2+]CC)CC1 ZINC000045306441 175355918 /nfs/dbraw/zinc/35/59/18/175355918.db2.gz CYVKABOSJOZZEG-OAHLLOKOSA-N 2 2 266.433 1.686 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(OC)CC1 ZINC000045310323 175356831 /nfs/dbraw/zinc/35/68/31/175356831.db2.gz VKVDACFUHOXWPO-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[NH+](CCOC)CCOC ZINC000045318609 175359060 /nfs/dbraw/zinc/35/90/60/175359060.db2.gz WPANIEBVWBVJKY-OAHLLOKOSA-N 2 2 285.432 1.643 10 30 CDEELP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1ccc(F)cc1 ZINC000073781578 264299178 /nfs/dbraw/zinc/29/91/78/264299178.db2.gz UKCRPKKVXOSFBZ-UHFFFAOYSA-N 2 2 289.358 1.730 10 30 CDEELP C=CC[C@@]1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000662933192 424564770 /nfs/dbraw/zinc/56/47/70/424564770.db2.gz IEGCGKQVWVCDQQ-RISCZKNCSA-N 2 2 262.357 1.296 10 30 CDEELP C=CCOCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000370357824 267311354 /nfs/dbraw/zinc/31/13/54/267311354.db2.gz MMLNGPZXMTXJEG-UHFFFAOYSA-N 2 2 275.396 1.838 10 30 CDEELP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1C#N ZINC000530242895 271178227 /nfs/dbraw/zinc/17/82/27/271178227.db2.gz DXLHZDBQFSLALL-OAHLLOKOSA-N 2 2 271.364 1.941 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001668474507 1173417498 /nfs/dbraw/zinc/41/74/98/1173417498.db2.gz ZIOORTBUKMNBKG-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP CN(C)C(=[NH+]CCc1[nH+]ccn1Cc1ccccc1)N(C)C ZINC000262353407 330007627 /nfs/dbraw/zinc/00/76/27/330007627.db2.gz UTNRFJAWFIEGJP-UHFFFAOYSA-N 2 2 299.422 1.953 10 30 CDEELP C[NH+]=C(NC1CCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262772530 330030546 /nfs/dbraw/zinc/03/05/46/330030546.db2.gz IDVJFGISXOPWQN-UHFFFAOYSA-N 2 2 287.411 1.768 10 30 CDEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423092480 330169502 /nfs/dbraw/zinc/16/95/02/330169502.db2.gz CAGNDJQRLRWAJA-UGUYLWEFSA-N 2 2 280.412 1.324 10 30 CDEELP CC(C)(CCC#N)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423123021 330171362 /nfs/dbraw/zinc/17/13/62/330171362.db2.gz KRAFEARCZOMAKK-UONOGXRCSA-N 2 2 265.401 1.673 10 30 CDEELP C(#CC[N@H+]1C[C@@H]2C[C@H]1CS2)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459794716 331301379 /nfs/dbraw/zinc/30/13/79/331301379.db2.gz NKEOVFHNKINNGR-XUXIUFHCSA-N 2 2 280.462 1.369 10 30 CDEELP C=CC[NH2+]CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001481241520 1159591707 /nfs/dbraw/zinc/59/17/07/1159591707.db2.gz AOTXMCQEKBVZTG-CQSZACIVSA-N 2 2 278.400 1.704 10 30 CDEELP CCC[NH2+][C@H](C#N)CCN1CC[NH+](C(C)C)CC1 ZINC000062435070 520060483 /nfs/dbraw/zinc/06/04/83/520060483.db2.gz DAEYNFPBDJAMEJ-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP C[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C1CC[NH+](C)CC1 ZINC000049608603 523239976 /nfs/dbraw/zinc/23/99/76/523239976.db2.gz AIAAYJYTNJUQDH-UHFFFAOYSA-N 3 2 289.398 1.662 10 30 CDEELP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C1CC[NH+](C)CC1 ZINC000049608603 523239985 /nfs/dbraw/zinc/23/99/85/523239985.db2.gz AIAAYJYTNJUQDH-UHFFFAOYSA-N 3 2 289.398 1.662 10 30 CDEELP C[C@@H]1C[NH+](Cc2ccc(F)cc2C#CC[NH3+])C[C@@H](C)O1 ZINC000049608453 524995612 /nfs/dbraw/zinc/99/56/12/524995612.db2.gz PJTMKIZSRLZTRK-CHWSQXEVSA-N 2 2 276.355 1.745 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001671554287 1158659420 /nfs/dbraw/zinc/65/94/20/1158659420.db2.gz NKBYSWQAOBHIDP-OAHLLOKOSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001566725478 1168402151 /nfs/dbraw/zinc/40/21/51/1168402151.db2.gz GEKQJWWGVQUDFN-ZDUSSCGKSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001568639364 1169410332 /nfs/dbraw/zinc/41/03/32/1169410332.db2.gz PYQFUDSUMZCPIN-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001568639364 1169410342 /nfs/dbraw/zinc/41/03/42/1169410342.db2.gz PYQFUDSUMZCPIN-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571480557 1170448642 /nfs/dbraw/zinc/44/86/42/1170448642.db2.gz FIWZMYMYNPRGKF-TZMCWYRMSA-N 2 2 296.374 1.779 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001571629007 1170502299 /nfs/dbraw/zinc/50/22/99/1170502299.db2.gz BRTIAWPRLCBZCY-CYBMUJFWSA-N 2 2 290.411 1.106 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001664592379 1172873198 /nfs/dbraw/zinc/87/31/98/1172873198.db2.gz JIGBTNGGGWRLOF-MRXNPFEDSA-N 2 2 296.374 1.423 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692091221 1175674430 /nfs/dbraw/zinc/67/44/30/1175674430.db2.gz JHCICLOGYVAKSH-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001692091221 1175674436 /nfs/dbraw/zinc/67/44/36/1175674436.db2.gz JHCICLOGYVAKSH-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692091221 1175674448 /nfs/dbraw/zinc/67/44/48/1175674448.db2.gz JHCICLOGYVAKSH-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001692091221 1175674454 /nfs/dbraw/zinc/67/44/54/1175674454.db2.gz JHCICLOGYVAKSH-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001698790777 1175936204 /nfs/dbraw/zinc/93/62/04/1175936204.db2.gz OIORUPBCJLCTLT-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001698790777 1175936207 /nfs/dbraw/zinc/93/62/07/1175936207.db2.gz OIORUPBCJLCTLT-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001698969539 1176001833 /nfs/dbraw/zinc/00/18/33/1176001833.db2.gz LJHAQZBLTKRENJ-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823661 1176643471 /nfs/dbraw/zinc/64/34/71/1176643471.db2.gz IWLCHKSYRZEHOH-OAHLLOKOSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823661 1176643474 /nfs/dbraw/zinc/64/34/74/1176643474.db2.gz IWLCHKSYRZEHOH-OAHLLOKOSA-N 2 2 276.384 1.430 10 30 CDEELP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001700902852 1177189196 /nfs/dbraw/zinc/18/91/96/1177189196.db2.gz UOCRMELDQSFRQW-UONOGXRCSA-N 2 2 296.374 1.456 10 30 CDEELP C#CC[N@@H+](C)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001700975635 1177220142 /nfs/dbraw/zinc/22/01/42/1177220142.db2.gz SKBZELIFKTXHBH-OAHLLOKOSA-N 2 2 290.411 1.636 10 30 CDEELP C#CC[N@H+](C)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001700975635 1177220154 /nfs/dbraw/zinc/22/01/54/1177220154.db2.gz SKBZELIFKTXHBH-OAHLLOKOSA-N 2 2 290.411 1.636 10 30 CDEELP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001707147612 1177956972 /nfs/dbraw/zinc/95/69/72/1177956972.db2.gz ZUGSLJLRCJVEJJ-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[N@H+](CC)CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001707452590 1178053833 /nfs/dbraw/zinc/05/38/33/1178053833.db2.gz SPYQBZBXDWEFQI-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C#CC[N@@H+](CC)CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001707452590 1178053843 /nfs/dbraw/zinc/05/38/43/1178053843.db2.gz SPYQBZBXDWEFQI-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=C)Cl ZINC001712953004 1178265315 /nfs/dbraw/zinc/26/53/15/1178265315.db2.gz WPMZDQJMMYNVII-AWEZNQCLSA-N 2 2 297.830 1.275 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=C)Cl ZINC001712953004 1178265321 /nfs/dbraw/zinc/26/53/21/1178265321.db2.gz WPMZDQJMMYNVII-AWEZNQCLSA-N 2 2 297.830 1.275 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=C)Cl ZINC001712953004 1178265327 /nfs/dbraw/zinc/26/53/27/1178265327.db2.gz WPMZDQJMMYNVII-AWEZNQCLSA-N 2 2 297.830 1.275 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=C)Cl ZINC001712953004 1178265332 /nfs/dbraw/zinc/26/53/32/1178265332.db2.gz WPMZDQJMMYNVII-AWEZNQCLSA-N 2 2 297.830 1.275 10 30 CDEELP C=CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001714668533 1179312571 /nfs/dbraw/zinc/31/25/71/1179312571.db2.gz ONCHXONMCWIZNA-UHFFFAOYSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001714668533 1179312575 /nfs/dbraw/zinc/31/25/75/1179312575.db2.gz ONCHXONMCWIZNA-UHFFFAOYSA-N 2 2 262.357 1.040 10 30 CDEELP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001715156108 1179566640 /nfs/dbraw/zinc/56/66/40/1179566640.db2.gz NCWOINQDGIGVOD-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001715414717 1179661483 /nfs/dbraw/zinc/66/14/83/1179661483.db2.gz PLSVSVMBOPZZNY-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001715414717 1179661489 /nfs/dbraw/zinc/66/14/89/1179661489.db2.gz PLSVSVMBOPZZNY-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001715457606 1179672550 /nfs/dbraw/zinc/67/25/50/1179672550.db2.gz HZJRASNKXNHLMY-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001715524896 1179699564 /nfs/dbraw/zinc/69/95/64/1179699564.db2.gz YEOQJKATQQEICZ-UHFFFAOYSA-N 2 2 284.363 1.361 10 30 CDEELP C#CCC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001715524896 1179699567 /nfs/dbraw/zinc/69/95/67/1179699567.db2.gz YEOQJKATQQEICZ-UHFFFAOYSA-N 2 2 284.363 1.361 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001715587351 1179725997 /nfs/dbraw/zinc/72/59/97/1179725997.db2.gz MBTAQPXBQRGLIC-MGPQQGTHSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001715587351 1179725999 /nfs/dbraw/zinc/72/59/99/1179725999.db2.gz MBTAQPXBQRGLIC-MGPQQGTHSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001716555398 1180283104 /nfs/dbraw/zinc/28/31/04/1180283104.db2.gz SMGINRFURQYFPO-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C#CC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001717237725 1180587615 /nfs/dbraw/zinc/58/76/15/1180587615.db2.gz VUJOWNNDKWUETO-UHFFFAOYSA-N 2 2 288.395 1.336 10 30 CDEELP C#CC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001717237725 1180587620 /nfs/dbraw/zinc/58/76/20/1180587620.db2.gz VUJOWNNDKWUETO-UHFFFAOYSA-N 2 2 288.395 1.336 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001717386797 1180642554 /nfs/dbraw/zinc/64/25/54/1180642554.db2.gz VBHSIEFTNHFAQS-UHFFFAOYSA-N 2 2 290.411 1.597 10 30 CDEELP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001717555439 1180739106 /nfs/dbraw/zinc/73/91/06/1180739106.db2.gz VSZJAZDFEXLBEB-CYBMUJFWSA-N 2 2 276.384 1.286 10 30 CDEELP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001731540002 1182441083 /nfs/dbraw/zinc/44/10/83/1182441083.db2.gz YFEIVMYUPSUIQW-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001731540002 1182441088 /nfs/dbraw/zinc/44/10/88/1182441088.db2.gz YFEIVMYUPSUIQW-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731680787 1182515653 /nfs/dbraw/zinc/51/56/53/1182515653.db2.gz ZGTKDZLQQIFKOG-CQSZACIVSA-N 2 2 290.411 1.665 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001731779701 1182571977 /nfs/dbraw/zinc/57/19/77/1182571977.db2.gz JZVICJSBVJCOLM-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001731779701 1182571983 /nfs/dbraw/zinc/57/19/83/1182571983.db2.gz JZVICJSBVJCOLM-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731861326 1182633205 /nfs/dbraw/zinc/63/32/05/1182633205.db2.gz INENMUVAUXRTCL-CYBMUJFWSA-N 2 2 276.384 1.275 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731861326 1182633209 /nfs/dbraw/zinc/63/32/09/1182633209.db2.gz INENMUVAUXRTCL-CYBMUJFWSA-N 2 2 276.384 1.275 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001732210229 1182858781 /nfs/dbraw/zinc/85/87/81/1182858781.db2.gz YZJDYHHEPYBDOS-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001732210225 1182858794 /nfs/dbraw/zinc/85/87/94/1182858794.db2.gz YZJDYHHEPYBDOS-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001732468212 1182980685 /nfs/dbraw/zinc/98/06/85/1182980685.db2.gz KBVNKMVBXPVEKX-CQSZACIVSA-N 2 2 290.411 1.106 10 30 CDEELP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001732515725 1182993641 /nfs/dbraw/zinc/99/36/41/1182993641.db2.gz BNBGAZNKFBZDNA-CQSZACIVSA-N 2 2 288.395 1.255 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)CCCn1cc[nH+]c1)C(C)C ZINC001732572898 1183016365 /nfs/dbraw/zinc/01/63/65/1183016365.db2.gz LHUNJQRNXTVPPK-OAHLLOKOSA-N 2 2 290.411 1.417 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001734044594 1183632108 /nfs/dbraw/zinc/63/21/08/1183632108.db2.gz OVKIZSUVZYGJQJ-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001734044594 1183632110 /nfs/dbraw/zinc/63/21/10/1183632110.db2.gz OVKIZSUVZYGJQJ-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001734600331 1183841365 /nfs/dbraw/zinc/84/13/65/1183841365.db2.gz DXILDWXTTPYJDB-DNOWBOINSA-N 2 2 288.395 1.191 10 30 CDEELP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001734600331 1183841369 /nfs/dbraw/zinc/84/13/69/1183841369.db2.gz DXILDWXTTPYJDB-DNOWBOINSA-N 2 2 288.395 1.191 10 30 CDEELP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000863570817 755201604 /nfs/dbraw/zinc/20/16/04/755201604.db2.gz KVVMCTLWGFJHOS-HNNXBMFYSA-N 2 2 277.412 1.123 10 30 CDEELP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000863570817 755201611 /nfs/dbraw/zinc/20/16/11/755201611.db2.gz KVVMCTLWGFJHOS-HNNXBMFYSA-N 2 2 277.412 1.123 10 30 CDEELP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3C#N)C[C@@H]2C1 ZINC000931442191 755495938 /nfs/dbraw/zinc/49/59/38/755495938.db2.gz XIEDODCKDXTKEY-HIFRSBDPSA-N 2 2 256.353 1.337 10 30 CDEELP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3C#N)C[C@@H]2C1 ZINC000931442191 755495948 /nfs/dbraw/zinc/49/59/48/755495948.db2.gz XIEDODCKDXTKEY-HIFRSBDPSA-N 2 2 256.353 1.337 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3C#N)C[C@@H]2C1 ZINC000931442191 755495956 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291.439 1.602 10 30 CDEELP C=CCC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001267838377 899847147 /nfs/dbraw/zinc/84/71/47/899847147.db2.gz FLOPDWHLPCJUOR-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=CCC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001267838377 899847156 /nfs/dbraw/zinc/84/71/56/899847156.db2.gz FLOPDWHLPCJUOR-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C#CCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]ccc1OC ZINC001268070311 901097364 /nfs/dbraw/zinc/09/73/64/901097364.db2.gz GCXIYTXFGDPYTJ-ZDUSSCGKSA-N 2 2 289.379 1.093 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284218991 902888991 /nfs/dbraw/zinc/88/89/91/902888991.db2.gz HHXWRZBEKLKUGU-STQMWFEESA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268670850 902935211 /nfs/dbraw/zinc/93/52/11/902935211.db2.gz LIKPQHUOOIUNDU-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC ZINC001269182622 903510855 /nfs/dbraw/zinc/51/08/55/903510855.db2.gz PMRFKLZTSVIAGK-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484759529 916147177 /nfs/dbraw/zinc/14/71/77/916147177.db2.gz GYBGZIIQEBUTHA-CYBMUJFWSA-N 2 2 278.400 1.555 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484759529 916147183 /nfs/dbraw/zinc/14/71/83/916147183.db2.gz GYBGZIIQEBUTHA-CYBMUJFWSA-N 2 2 278.400 1.555 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484759529 916147191 /nfs/dbraw/zinc/14/71/91/916147191.db2.gz GYBGZIIQEBUTHA-CYBMUJFWSA-N 2 2 278.400 1.555 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484759529 916147196 /nfs/dbraw/zinc/14/71/96/916147196.db2.gz GYBGZIIQEBUTHA-CYBMUJFWSA-N 2 2 278.400 1.555 10 30 CDEELP C#CCC[N@H+]1CC=C(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001486520013 921094881 /nfs/dbraw/zinc/09/48/81/921094881.db2.gz ZRCSIAGKYPVBDF-UHFFFAOYSA-N 2 2 286.379 1.032 10 30 CDEELP C#CCC[N@@H+]1CC=C(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001486520013 921094890 /nfs/dbraw/zinc/09/48/90/921094890.db2.gz ZRCSIAGKYPVBDF-UHFFFAOYSA-N 2 2 286.379 1.032 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001494907002 926075422 /nfs/dbraw/zinc/07/54/22/926075422.db2.gz PVSXNXKGTDGINV-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001494907002 926075427 /nfs/dbraw/zinc/07/54/27/926075427.db2.gz PVSXNXKGTDGINV-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683173 926647830 /nfs/dbraw/zinc/64/78/30/926647830.db2.gz ADPJVNYWXQMHHY-CYBMUJFWSA-N 2 2 290.411 1.796 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683173 926647835 /nfs/dbraw/zinc/64/78/35/926647835.db2.gz ADPJVNYWXQMHHY-CYBMUJFWSA-N 2 2 290.411 1.796 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001284613877 943226370 /nfs/dbraw/zinc/22/63/70/943226370.db2.gz JXWLEWOMKUOVSF-CQSZACIVSA-N 2 2 292.427 1.970 10 30 CDEELP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001284726138 943248682 /nfs/dbraw/zinc/24/86/82/943248682.db2.gz REMLRLWRQFVOSJ-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001264383073 944121259 /nfs/dbraw/zinc/12/12/59/944121259.db2.gz ULEJALFBLTXUTI-QGZVFWFLSA-N 2 2 299.418 1.284 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001264383073 944121262 /nfs/dbraw/zinc/12/12/62/944121262.db2.gz ULEJALFBLTXUTI-QGZVFWFLSA-N 2 2 299.418 1.284 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001264383073 944121264 /nfs/dbraw/zinc/12/12/64/944121264.db2.gz ULEJALFBLTXUTI-QGZVFWFLSA-N 2 2 299.418 1.284 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001264383073 944121267 /nfs/dbraw/zinc/12/12/67/944121267.db2.gz ULEJALFBLTXUTI-QGZVFWFLSA-N 2 2 299.418 1.284 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001265998337 944622119 /nfs/dbraw/zinc/62/21/19/944622119.db2.gz SBSMLBOOTSLPEW-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001265998337 944622124 /nfs/dbraw/zinc/62/21/24/944622124.db2.gz SBSMLBOOTSLPEW-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001479915532 971484109 /nfs/dbraw/zinc/48/41/09/971484109.db2.gz ALSWBZLZNJDOMK-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001479915532 971484111 /nfs/dbraw/zinc/48/41/11/971484111.db2.gz ALSWBZLZNJDOMK-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001479915533 971485759 /nfs/dbraw/zinc/48/57/59/971485759.db2.gz ALSWBZLZNJDOMK-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001479915533 971485763 /nfs/dbraw/zinc/48/57/63/971485763.db2.gz ALSWBZLZNJDOMK-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001480053557 971556076 /nfs/dbraw/zinc/55/60/76/971556076.db2.gz NPCGRIDAEPMCSF-RISCZKNCSA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001480053557 971556083 /nfs/dbraw/zinc/55/60/83/971556083.db2.gz NPCGRIDAEPMCSF-RISCZKNCSA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH+]1CCC(C)(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001278636854 950782151 /nfs/dbraw/zinc/78/21/51/950782151.db2.gz LQSIQQZYORGDBP-UHFFFAOYSA-N 2 2 290.411 1.665 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001324510942 953420565 /nfs/dbraw/zinc/42/05/65/953420565.db2.gz WFLCGMHTHVUDNJ-OAHLLOKOSA-N 2 2 290.411 1.711 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001492304808 955788430 /nfs/dbraw/zinc/78/84/30/955788430.db2.gz ZHYBXMRMXLJCBL-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001492304808 955788438 /nfs/dbraw/zinc/78/84/38/955788438.db2.gz ZHYBXMRMXLJCBL-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001492304808 955788445 /nfs/dbraw/zinc/78/84/45/955788445.db2.gz ZHYBXMRMXLJCBL-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001492304808 955788450 /nfs/dbraw/zinc/78/84/50/955788450.db2.gz ZHYBXMRMXLJCBL-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001330609784 956513591 /nfs/dbraw/zinc/51/35/91/956513591.db2.gz HYYJGQSVHBECRM-AAVRWANBSA-N 2 2 288.395 1.574 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001330609784 956513599 /nfs/dbraw/zinc/51/35/99/956513599.db2.gz HYYJGQSVHBECRM-AAVRWANBSA-N 2 2 288.395 1.574 10 30 CDEELP CC#CC[N@H+](CC)CCCNC(=O)CCc1c[nH+]cn1C ZINC001316906137 957112234 /nfs/dbraw/zinc/11/22/34/957112234.db2.gz PVHULILURKKYFQ-UHFFFAOYSA-N 2 2 290.411 1.204 10 30 CDEELP CC#CC[N@@H+](CC)CCCNC(=O)CCc1c[nH+]cn1C ZINC001316906137 957112238 /nfs/dbraw/zinc/11/22/38/957112238.db2.gz PVHULILURKKYFQ-UHFFFAOYSA-N 2 2 290.411 1.204 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001317728145 957648077 /nfs/dbraw/zinc/64/80/77/957648077.db2.gz DNOIMBXEGYPZRK-MRXNPFEDSA-N 2 2 296.374 1.354 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001319538572 958619584 /nfs/dbraw/zinc/61/95/84/958619584.db2.gz ANUCOFRXGOLXQN-KGLIPLIRSA-N 2 2 278.400 1.847 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320147246 958966469 /nfs/dbraw/zinc/96/64/69/958966469.db2.gz OUTSOJAARLOVEO-JSGCOSHPSA-N 2 2 296.374 1.684 10 30 CDEELP CC#CC[NH2+]C/C=C/CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001321065648 959568676 /nfs/dbraw/zinc/56/86/76/959568676.db2.gz VIUYVRMFYLWKOO-AATRIKPKSA-N 2 2 296.374 1.542 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322247611 960149228 /nfs/dbraw/zinc/14/92/28/960149228.db2.gz FKTFHFVCHGCTGP-YNEHKIRRSA-N 2 2 276.384 1.146 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322247609 960150430 /nfs/dbraw/zinc/15/04/30/960150430.db2.gz FKTFHFVCHGCTGP-JHJVBQTASA-N 2 2 276.384 1.146 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001496095920 972792514 /nfs/dbraw/zinc/79/25/14/972792514.db2.gz HNDNFUBXOKBEAR-CQSZACIVSA-N 2 2 292.427 1.939 10 30 CDEELP C#CC[NH+]1CCC(C)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001569700631 1169969451 /nfs/dbraw/zinc/96/94/51/1169969451.db2.gz HVHLHNFOVYDAIV-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C#CC[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001569700631 1169969455 /nfs/dbraw/zinc/96/94/55/1169969455.db2.gz HVHLHNFOVYDAIV-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001499430441 974254117 /nfs/dbraw/zinc/25/41/17/974254117.db2.gz LSJIBIVWMKLNRH-UHFFFAOYSA-N 2 2 262.357 1.075 10 30 CDEELP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001376586546 974692521 /nfs/dbraw/zinc/69/25/21/974692521.db2.gz YBPXANARZDRWGX-CYBMUJFWSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001376586546 974692524 /nfs/dbraw/zinc/69/25/24/974692524.db2.gz YBPXANARZDRWGX-CYBMUJFWSA-N 2 2 287.835 1.661 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001507419172 975462603 /nfs/dbraw/zinc/46/26/03/975462603.db2.gz OWSCDSNYAYBTAN-ZIAGYGMSSA-N 2 2 290.411 1.413 10 30 CDEELP C#CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001674140694 1173916961 /nfs/dbraw/zinc/91/69/61/1173916961.db2.gz IBVGNLVTLKCURG-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001674140694 1173916966 /nfs/dbraw/zinc/91/69/66/1173916966.db2.gz IBVGNLVTLKCURG-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001676767199 1174269940 /nfs/dbraw/zinc/26/99/40/1174269940.db2.gz MRFGCPUIPLTYQL-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001571397381 1170410680 /nfs/dbraw/zinc/41/06/80/1170410680.db2.gz YNGRFIRLRHSUGC-GFCCVEGCSA-N 2 2 272.352 1.570 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccnc(C#N)c1)CCO2 ZINC000592184229 342679810 /nfs/dbraw/zinc/67/98/10/342679810.db2.gz HGDOSGRHDFURKI-UHFFFAOYSA-N 2 2 286.379 1.250 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccnc(C#N)c1)CCO2 ZINC000592184229 342679812 /nfs/dbraw/zinc/67/98/12/342679812.db2.gz HGDOSGRHDFURKI-UHFFFAOYSA-N 2 2 286.379 1.250 10 30 CDEELP C[C@H]1CCC[N@H+](Cc2ccncc2C#N)[C@H]1CC[NH3+] ZINC000593735022 342830926 /nfs/dbraw/zinc/83/09/26/342830926.db2.gz UPQCYDLMDDYNIR-WFASDCNBSA-N 2 2 258.369 1.903 10 30 CDEELP C[C@H]1CCC[N@@H+](Cc2ccncc2C#N)[C@H]1CC[NH3+] ZINC000593735022 342830927 /nfs/dbraw/zinc/83/09/27/342830927.db2.gz UPQCYDLMDDYNIR-WFASDCNBSA-N 2 2 258.369 1.903 10 30 CDEELP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)Cn1cc[nH+]c1 ZINC000594440298 342907107 /nfs/dbraw/zinc/90/71/07/342907107.db2.gz BONLWYDDGDJATA-STQMWFEESA-N 2 2 277.372 1.047 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000594446332 342908690 /nfs/dbraw/zinc/90/86/90/342908690.db2.gz QVLFWDUUKIOGKW-ZDUSSCGKSA-N 2 2 285.351 1.362 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600758916 342247774 /nfs/dbraw/zinc/24/77/74/342247774.db2.gz XOFIVTITQQEMJL-GJZGRUSLSA-N 2 2 279.428 1.894 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600758916 342247775 /nfs/dbraw/zinc/24/77/75/342247775.db2.gz XOFIVTITQQEMJL-GJZGRUSLSA-N 2 2 279.428 1.894 10 30 CDEELP C=CCC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617764909 345960873 /nfs/dbraw/zinc/96/08/73/345960873.db2.gz LKBQBCRKZXKGKQ-UHFFFAOYSA-N 2 2 281.444 1.733 10 30 CDEELP C=CCC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617764909 345960874 /nfs/dbraw/zinc/96/08/74/345960874.db2.gz LKBQBCRKZXKGKQ-UHFFFAOYSA-N 2 2 281.444 1.733 10 30 CDEELP C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765153 345963955 /nfs/dbraw/zinc/96/39/55/345963955.db2.gz VUCWPLMIZIXFPV-OAHLLOKOSA-N 2 2 269.433 1.588 10 30 CDEELP C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765153 345963957 /nfs/dbraw/zinc/96/39/57/345963957.db2.gz VUCWPLMIZIXFPV-OAHLLOKOSA-N 2 2 269.433 1.588 10 30 CDEELP C=CC[NH+]1CCC([NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638524072 370717058 /nfs/dbraw/zinc/71/70/58/370717058.db2.gz KMDQEYXFEFFLRV-UHFFFAOYSA-N 2 2 260.385 1.827 10 30 CDEELP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000528485428 367858202 /nfs/dbraw/zinc/85/82/02/367858202.db2.gz NATPLKCHZDPZFY-DZGCQCFKSA-N 2 2 287.363 1.589 10 30 CDEELP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000528485428 367858208 /nfs/dbraw/zinc/85/82/08/367858208.db2.gz NATPLKCHZDPZFY-DZGCQCFKSA-N 2 2 287.363 1.589 10 30 CDEELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000422986668 374366947 /nfs/dbraw/zinc/36/69/47/374366947.db2.gz DCXJNKNWJNTAOL-SWLSCSKDSA-N 2 2 259.353 1.525 10 30 CDEELP N#Cc1ccc2[nH+]cc(CN3CC[N@@H+]4CCCC[C@H]4C3)n2c1 ZINC000245559657 378477561 /nfs/dbraw/zinc/47/75/61/378477561.db2.gz LVVDXBUWVVLOAE-HNNXBMFYSA-N 2 2 295.390 1.876 10 30 CDEELP N#Cc1ccc2[nH+]cc(CN3CC[N@H+]4CCCC[C@H]4C3)n2c1 ZINC000245559657 378477568 /nfs/dbraw/zinc/47/75/68/378477568.db2.gz LVVDXBUWVVLOAE-HNNXBMFYSA-N 2 2 295.390 1.876 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001665663836 1173032561 /nfs/dbraw/zinc/03/25/61/1173032561.db2.gz FOZRBQGZYGPEDE-CABCVRRESA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001665663836 1173032565 /nfs/dbraw/zinc/03/25/65/1173032565.db2.gz FOZRBQGZYGPEDE-CABCVRRESA-N 2 2 290.411 1.943 10 30 CDEELP C=CCNC(=O)[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020361943 171160103 /nfs/dbraw/zinc/16/01/03/171160103.db2.gz KAMCYWJLKZIQFN-OAHLLOKOSA-N 2 2 289.423 1.789 10 30 CDEELP C=CCNC(=O)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020361943 171160106 /nfs/dbraw/zinc/16/01/06/171160106.db2.gz KAMCYWJLKZIQFN-OAHLLOKOSA-N 2 2 289.423 1.789 10 30 CDEELP C=CC[N@@H+](Cc1cccs1)C[C@@H]1C[NH2+]CCO1 ZINC000662248405 414583219 /nfs/dbraw/zinc/58/32/19/414583219.db2.gz APMAGQIJDLNBSF-LBPRGKRZSA-N 2 2 252.383 1.725 10 30 CDEELP C[C@]([NH3+])(C#N)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000045181568 175325069 /nfs/dbraw/zinc/32/50/69/175325069.db2.gz QGMLMLNUJIAIMH-OAHLLOKOSA-N 2 2 264.417 1.568 10 30 CDEELP C[C@](N)(C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045181568 175325070 /nfs/dbraw/zinc/32/50/70/175325070.db2.gz QGMLMLNUJIAIMH-OAHLLOKOSA-N 2 2 264.417 1.568 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@H+](CCCOC)CCOC ZINC000045317008 175357998 /nfs/dbraw/zinc/35/79/98/175357998.db2.gz VBEVBENTBPZLIF-HNNXBMFYSA-N 2 2 285.432 1.643 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](CCCOC)CCOC ZINC000045317008 175358000 /nfs/dbraw/zinc/35/80/00/175358000.db2.gz VBEVBENTBPZLIF-HNNXBMFYSA-N 2 2 285.432 1.643 10 30 CDEELP C[N@H+](CCN1CC[NH2+]CC1)[C@H](CC#N)c1ccccc1 ZINC000071150869 176045107 /nfs/dbraw/zinc/04/51/07/176045107.db2.gz LWCUIZQXCUCXQO-MRXNPFEDSA-N 2 2 272.396 1.478 10 30 CDEELP C[N@@H+](CCN1CC[NH2+]CC1)[C@H](CC#N)c1ccccc1 ZINC000071150869 176045109 /nfs/dbraw/zinc/04/51/09/176045109.db2.gz LWCUIZQXCUCXQO-MRXNPFEDSA-N 2 2 272.396 1.478 10 30 CDEELP C[N@H+](CCCC[C@@](C)([NH3+])C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190774 176068056 /nfs/dbraw/zinc/06/80/56/176068056.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 3 2 252.406 1.281 10 30 CDEELP C[N@@H+](CCCC[C@@](C)([NH3+])C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190774 176068058 /nfs/dbraw/zinc/06/80/58/176068058.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 3 2 252.406 1.281 10 30 CDEELP C[NH+](CCCC[C@@](C)([NH3+])C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000071190774 176068059 /nfs/dbraw/zinc/06/80/59/176068059.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 3 2 252.406 1.281 10 30 CDEELP C[NH+](CCCC[C@@](C)([NH3+])C#N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190774 176068060 /nfs/dbraw/zinc/06/80/60/176068060.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 3 2 252.406 1.281 10 30 CDEELP C=CCC[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001666032046 1173102606 /nfs/dbraw/zinc/10/26/06/1173102606.db2.gz NWDZXVMIHORWES-HNNXBMFYSA-N 2 2 276.384 1.403 10 30 CDEELP N#C[C@H]1CC[C@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000407989959 260153338 /nfs/dbraw/zinc/15/33/38/260153338.db2.gz MEHKJJHABQHVJD-STQMWFEESA-N 2 2 259.357 1.220 10 30 CDEELP C[C@@]1(F)CC[N@H+](CC#CC[NH+]2CC[C@](C)(F)C2)C1 ZINC000341911264 263365996 /nfs/dbraw/zinc/36/59/96/263365996.db2.gz PXNVUZGPYHHMKR-OKILXGFUSA-N 2 2 256.340 1.858 10 30 CDEELP C[C@@]1(F)CC[N@@H+](CC#CC[NH+]2CC[C@](C)(F)C2)C1 ZINC000341911264 263365997 /nfs/dbraw/zinc/36/59/97/263365997.db2.gz PXNVUZGPYHHMKR-OKILXGFUSA-N 2 2 256.340 1.858 10 30 CDEELP C[C@@]1(F)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000341911264 263365999 /nfs/dbraw/zinc/36/59/99/263365999.db2.gz PXNVUZGPYHHMKR-OKILXGFUSA-N 2 2 256.340 1.858 10 30 CDEELP C[C@@]1(F)CC[NH+](CC#CC[N@H+]2CC[C@](C)(F)C2)C1 ZINC000341911264 263366001 /nfs/dbraw/zinc/36/60/01/263366001.db2.gz PXNVUZGPYHHMKR-OKILXGFUSA-N 2 2 256.340 1.858 10 30 CDEELP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000559185429 327145212 /nfs/dbraw/zinc/14/52/12/327145212.db2.gz FHLVTBWTNUAGSW-UONOGXRCSA-N 2 2 286.379 1.904 10 30 CDEELP C[NH+]=C(NC1CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000262807171 330033073 /nfs/dbraw/zinc/03/30/73/330033073.db2.gz TUETURXXPIMVSX-UHFFFAOYSA-N 2 2 292.452 1.994 10 30 CDEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751675 1160014109 /nfs/dbraw/zinc/01/41/09/1160014109.db2.gz MPSYERPKBGEDLU-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751675 1160014114 /nfs/dbraw/zinc/01/41/14/1160014114.db2.gz MPSYERPKBGEDLU-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691544957 1160678504 /nfs/dbraw/zinc/67/85/04/1160678504.db2.gz WBVNJGVGZVXHDB-SHTZXODSSA-N 2 2 288.395 1.171 10 30 CDEELP CCC[NH2+][C@](C#N)(CN(CCC)CC[NH+](C)C)C1CC1 ZINC000069081391 520099379 /nfs/dbraw/zinc/09/93/79/520099379.db2.gz TXESYCNGYAMJBY-MRXNPFEDSA-N 2 2 280.460 1.932 10 30 CDEELP C=C(C)CC[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001712980252 1178282315 /nfs/dbraw/zinc/28/23/15/1178282315.db2.gz SYCLQYSRKJUFJD-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=C(C)CC[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001712980252 1178282320 /nfs/dbraw/zinc/28/23/20/1178282320.db2.gz SYCLQYSRKJUFJD-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716498390 1180254094 /nfs/dbraw/zinc/25/40/94/1180254094.db2.gz QVNTZDZUWBKAOR-NWDGAFQWSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716498390 1180254100 /nfs/dbraw/zinc/25/41/00/1180254100.db2.gz QVNTZDZUWBKAOR-NWDGAFQWSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716498390 1180254107 /nfs/dbraw/zinc/25/41/07/1180254107.db2.gz QVNTZDZUWBKAOR-NWDGAFQWSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716498390 1180254113 /nfs/dbraw/zinc/25/41/13/1180254113.db2.gz QVNTZDZUWBKAOR-NWDGAFQWSA-N 2 2 264.373 1.211 10 30 CDEELP CC(C)[NH2+][C@@](C#N)(CN1CCC([NH+](C)C)CC1)C1CC1 ZINC000069078150 519735324 /nfs/dbraw/zinc/73/53/24/519735324.db2.gz POSXWLOEHDNTQY-INIZCTEOSA-N 2 2 278.444 1.683 10 30 CDEELP CC(C)N[C@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079710 519738698 /nfs/dbraw/zinc/73/86/98/519738698.db2.gz AYSHUFOEHPYQHL-QGZVFWFLSA-N 2 2 292.471 1.930 10 30 CDEELP CCC[N@H+](Cc1cccnc1C#N)C1CC[NH2+]CC1 ZINC000061659564 521690533 /nfs/dbraw/zinc/69/05/33/521690533.db2.gz SAWVIAKAJTWRMS-UHFFFAOYSA-N 2 2 258.369 1.917 10 30 CDEELP CCC[N@@H+](Cc1cccnc1C#N)C1CC[NH2+]CC1 ZINC000061659564 521690537 /nfs/dbraw/zinc/69/05/37/521690537.db2.gz SAWVIAKAJTWRMS-UHFFFAOYSA-N 2 2 258.369 1.917 10 30 CDEELP CC[C@@H]1CC[C@H](C#N)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061644279 523355605 /nfs/dbraw/zinc/35/56/05/523355605.db2.gz YZIWNCYHNWVXOR-BRWVUGGUSA-N 2 2 292.471 1.884 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690293784 1175429489 /nfs/dbraw/zinc/42/94/89/1175429489.db2.gz HADVDJOCBVVZHO-JHJVBQTASA-N 2 2 276.384 1.544 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001270066883 1160086917 /nfs/dbraw/zinc/08/69/17/1160086917.db2.gz OYIDAGNZODVUAV-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001270066883 1160086924 /nfs/dbraw/zinc/08/69/24/1160086924.db2.gz OYIDAGNZODVUAV-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001569021423 1169599387 /nfs/dbraw/zinc/59/93/87/1169599387.db2.gz YJVMRLBQBNSUKF-NEPJUHHUSA-N 2 2 250.346 1.115 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001668474508 1173417099 /nfs/dbraw/zinc/41/70/99/1173417099.db2.gz ZIOORTBUKMNBKG-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C#CCC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001675204591 1174084392 /nfs/dbraw/zinc/08/43/92/1174084392.db2.gz MBSKGNGOLRWTMT-UHFFFAOYSA-N 2 2 288.395 1.384 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001688895183 1175057499 /nfs/dbraw/zinc/05/74/99/1175057499.db2.gz BPJWZHQHBBEKRS-ZDUSSCGKSA-N 2 2 276.384 1.369 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001688895183 1175057506 /nfs/dbraw/zinc/05/75/06/1175057506.db2.gz BPJWZHQHBBEKRS-ZDUSSCGKSA-N 2 2 276.384 1.369 10 30 CDEELP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001690457781 1175476277 /nfs/dbraw/zinc/47/62/77/1175476277.db2.gz RIPRRWBDERYHRA-CYBMUJFWSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001690457781 1175476280 /nfs/dbraw/zinc/47/62/80/1175476280.db2.gz RIPRRWBDERYHRA-CYBMUJFWSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001690777754 1175570800 /nfs/dbraw/zinc/57/08/00/1175570800.db2.gz QZGXIVNVOJZWBN-KBPBESRZSA-N 2 2 290.411 1.556 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001691984796 1175662742 /nfs/dbraw/zinc/66/27/42/1175662742.db2.gz NDMHIRUOUBOSFH-ZIAGYGMSSA-N 2 2 288.395 1.002 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001691984796 1175662744 /nfs/dbraw/zinc/66/27/44/1175662744.db2.gz NDMHIRUOUBOSFH-ZIAGYGMSSA-N 2 2 288.395 1.002 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691984796 1175662750 /nfs/dbraw/zinc/66/27/50/1175662750.db2.gz NDMHIRUOUBOSFH-ZIAGYGMSSA-N 2 2 288.395 1.002 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691984796 1175662751 /nfs/dbraw/zinc/66/27/51/1175662751.db2.gz NDMHIRUOUBOSFH-ZIAGYGMSSA-N 2 2 288.395 1.002 10 30 CDEELP C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001698901049 1175981184 /nfs/dbraw/zinc/98/11/84/1175981184.db2.gz LGBYNRXYQNTLGZ-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699440875 1176403490 /nfs/dbraw/zinc/40/34/90/1176403490.db2.gz HPZAJQRKJKFRQO-ZDUSSCGKSA-N 2 2 290.411 1.384 10 30 CDEELP C=CCCC[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001700381045 1176885695 /nfs/dbraw/zinc/88/56/95/1176885695.db2.gz LVPMCVIUCYALMP-UHFFFAOYSA-N 2 2 290.411 1.413 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001700665516 1177065271 /nfs/dbraw/zinc/06/52/71/1177065271.db2.gz KIWQNTKUZDBOID-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001700855408 1177166604 /nfs/dbraw/zinc/16/66/04/1177166604.db2.gz XTGCTYCYBYUMFQ-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001713879286 1178809903 /nfs/dbraw/zinc/80/99/03/1178809903.db2.gz PQHGLXCIFIZGKG-DOMZBBRYSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001713879286 1178809923 /nfs/dbraw/zinc/80/99/23/1178809923.db2.gz PQHGLXCIFIZGKG-DOMZBBRYSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001713935006 1178862988 /nfs/dbraw/zinc/86/29/88/1178862988.db2.gz NHKCPTQIVVUQGV-GJZGRUSLSA-N 2 2 288.395 1.525 10 30 CDEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001713935006 1178863002 /nfs/dbraw/zinc/86/30/02/1178863002.db2.gz NHKCPTQIVVUQGV-GJZGRUSLSA-N 2 2 288.395 1.525 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714370845 1179108842 /nfs/dbraw/zinc/10/88/42/1179108842.db2.gz ZORQQIVYFSYZRP-KGLIPLIRSA-N 2 2 288.395 1.050 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001714370845 1179108843 /nfs/dbraw/zinc/10/88/43/1179108843.db2.gz ZORQQIVYFSYZRP-KGLIPLIRSA-N 2 2 288.395 1.050 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714641441 1179291731 /nfs/dbraw/zinc/29/17/31/1179291731.db2.gz HJUUMGNWQNWARI-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714641441 1179291737 /nfs/dbraw/zinc/29/17/37/1179291737.db2.gz HJUUMGNWQNWARI-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001715100976 1179550752 /nfs/dbraw/zinc/55/07/52/1179550752.db2.gz BEMSBMYXBLANFK-UHFFFAOYSA-N 2 2 290.411 1.855 10 30 CDEELP C=CC[NH2+]C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@@H]1C ZINC001715151121 1179565362 /nfs/dbraw/zinc/56/53/62/1179565362.db2.gz ZHJMEOPIVKBMDL-XJKSGUPXSA-N 2 2 290.411 1.793 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001715507425 1179687078 /nfs/dbraw/zinc/68/70/78/1179687078.db2.gz WTEDQFFSPTZULN-GJZGRUSLSA-N 2 2 290.411 1.588 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001715589905 1179727484 /nfs/dbraw/zinc/72/74/84/1179727484.db2.gz SIFWTLSPGJEWPN-CYBMUJFWSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001715589905 1179727487 /nfs/dbraw/zinc/72/74/87/1179727487.db2.gz SIFWTLSPGJEWPN-CYBMUJFWSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715860307 1179877012 /nfs/dbraw/zinc/87/70/12/1179877012.db2.gz RVQXSTLSKALFGZ-VXGBXAGGSA-N 2 2 262.357 1.089 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715860307 1179877028 /nfs/dbraw/zinc/87/70/28/1179877028.db2.gz RVQXSTLSKALFGZ-VXGBXAGGSA-N 2 2 262.357 1.089 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716665982 1180352710 /nfs/dbraw/zinc/35/27/10/1180352710.db2.gz XTOIMAVPEHNWLO-GJZGRUSLSA-N 2 2 279.428 1.627 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716665982 1180352718 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10 30 CDEELP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001725266874 1181945866 /nfs/dbraw/zinc/94/58/66/1181945866.db2.gz PXFVPONUBGKDBB-STQMWFEESA-N 2 2 290.411 1.601 10 30 CDEELP C#CCC[NH2+][C@H](CCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001725447596 1182003118 /nfs/dbraw/zinc/00/31/18/1182003118.db2.gz UDXYXSYABIHCTD-CQSZACIVSA-N 2 2 290.411 1.404 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001725674140 1182094832 /nfs/dbraw/zinc/09/48/32/1182094832.db2.gz MAPBONVVWPBZEY-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001731529838 1182436261 /nfs/dbraw/zinc/43/62/61/1182436261.db2.gz IYYVBMUXAWHDMW-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001731542813 1182442884 /nfs/dbraw/zinc/44/28/84/1182442884.db2.gz QFKZSWYDYUTTMN-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001731542813 1182442886 /nfs/dbraw/zinc/44/28/86/1182442886.db2.gz QFKZSWYDYUTTMN-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001731560781 1182448365 /nfs/dbraw/zinc/44/83/65/1182448365.db2.gz BNFGTNXRYHKDOR-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001731560781 1182448368 /nfs/dbraw/zinc/44/83/68/1182448368.db2.gz BNFGTNXRYHKDOR-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731680786 1182516081 /nfs/dbraw/zinc/51/60/81/1182516081.db2.gz ZGTKDZLQQIFKOG-AWEZNQCLSA-N 2 2 290.411 1.665 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001732079364 1182755862 /nfs/dbraw/zinc/75/58/62/1182755862.db2.gz FBZQMBFMHICNIY-CYBMUJFWSA-N 2 2 288.395 1.101 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001732079364 1182755865 /nfs/dbraw/zinc/75/58/65/1182755865.db2.gz FBZQMBFMHICNIY-CYBMUJFWSA-N 2 2 288.395 1.101 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001734056514 1183638712 /nfs/dbraw/zinc/63/87/12/1183638712.db2.gz XUILTJLQINCXSJ-YNEHKIRRSA-N 2 2 276.384 1.146 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001734056514 1183638713 /nfs/dbraw/zinc/63/87/13/1183638713.db2.gz XUILTJLQINCXSJ-YNEHKIRRSA-N 2 2 276.384 1.146 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001734483188 1183796453 /nfs/dbraw/zinc/79/64/53/1183796453.db2.gz LNXWPARXEIRSLL-KGLIPLIRSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001622809096 1165739984 /nfs/dbraw/zinc/73/99/84/1165739984.db2.gz FMNIBQRDGGWUMR-JSGCOSHPSA-N 2 2 276.384 1.410 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000876887869 769405318 /nfs/dbraw/zinc/40/53/18/769405318.db2.gz ITAOHNHDVXQQPT-RYUDHWBXSA-N 2 2 294.786 1.246 10 30 CDEELP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000702376443 770807040 /nfs/dbraw/zinc/80/70/40/770807040.db2.gz TULMCLUBTUJVTG-CVEARBPZSA-N 2 2 255.365 1.942 10 30 CDEELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000702376443 770807038 /nfs/dbraw/zinc/80/70/38/770807038.db2.gz TULMCLUBTUJVTG-CVEARBPZSA-N 2 2 255.365 1.942 10 30 CDEELP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000702376443 770807039 /nfs/dbraw/zinc/80/70/39/770807039.db2.gz TULMCLUBTUJVTG-CVEARBPZSA-N 2 2 255.365 1.942 10 30 CDEELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000702376443 770807041 /nfs/dbraw/zinc/80/70/41/770807041.db2.gz TULMCLUBTUJVTG-CVEARBPZSA-N 2 2 255.365 1.942 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000922147470 771849001 /nfs/dbraw/zinc/84/90/01/771849001.db2.gz XWLDUUNPRUVVLJ-UHFFFAOYSA-N 2 2 273.336 1.578 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000922147470 771849005 /nfs/dbraw/zinc/84/90/05/771849005.db2.gz XWLDUUNPRUVVLJ-UHFFFAOYSA-N 2 2 273.336 1.578 10 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10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001266540812 895287698 /nfs/dbraw/zinc/28/76/98/895287698.db2.gz KVELJCHNZCPMLB-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001266847843 896176934 /nfs/dbraw/zinc/17/69/34/896176934.db2.gz AQBKUBBRHXTNMP-GFCCVEGCSA-N 2 2 284.791 1.635 10 30 CDEELP C#CCC[N@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481002898 898458309 /nfs/dbraw/zinc/45/83/09/898458309.db2.gz UPAOLBJJHJDBCK-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C#CCC[N@@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481002898 898458313 /nfs/dbraw/zinc/45/83/13/898458313.db2.gz UPAOLBJJHJDBCK-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C=CCCC[NH+]1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267650646 899172139 /nfs/dbraw/zinc/17/21/39/899172139.db2.gz QNWAAYWGGJVXEB-UHFFFAOYSA-N 2 2 284.363 1.943 10 30 CDEELP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284610 900061760 /nfs/dbraw/zinc/06/17/60/900061760.db2.gz 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VVQGARNPISJZDS-ZDUSSCGKSA-N 2 2 287.835 1.519 10 30 CDEELP C=C(Cl)C[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001377363030 974988138 /nfs/dbraw/zinc/98/81/38/974988138.db2.gz VVQGARNPISJZDS-ZDUSSCGKSA-N 2 2 287.835 1.519 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001506899388 975251468 /nfs/dbraw/zinc/25/14/68/975251468.db2.gz FBBLGECYKTYLEZ-XYPYZODXSA-N 2 2 282.775 1.189 10 30 CDEELP N#CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000594607325 342925730 /nfs/dbraw/zinc/92/57/30/342925730.db2.gz STZORKCGKFGOEX-HNNXBMFYSA-N 2 2 277.412 1.913 10 30 CDEELP CC#CC[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000641767405 365830899 /nfs/dbraw/zinc/83/08/99/365830899.db2.gz KGQTYOWQXDKCDV-GFCCVEGCSA-N 2 2 275.377 1.798 10 30 CDEELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000395193501 358083392 /nfs/dbraw/zinc/08/33/92/358083392.db2.gz DFJNQTFLZFMJKD-JTQLQIEISA-N 2 2 250.371 1.446 10 30 CDEELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000395193501 358083400 /nfs/dbraw/zinc/08/34/00/358083400.db2.gz DFJNQTFLZFMJKD-JTQLQIEISA-N 2 2 250.371 1.446 10 30 CDEELP C#CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001661739244 1172439348 /nfs/dbraw/zinc/43/93/48/1172439348.db2.gz OFUSAIDEAGINET-CABCVRRESA-N 2 2 288.395 1.296 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001661739244 1172439352 /nfs/dbraw/zinc/43/93/52/1172439352.db2.gz OFUSAIDEAGINET-CABCVRRESA-N 2 2 288.395 1.296 10 30 CDEELP N#Cc1ncn(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000353042259 374532646 /nfs/dbraw/zinc/53/26/46/374532646.db2.gz ADSZWLPCCKSYHB-UHFFFAOYSA-N 2 2 299.363 1.187 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000449398635 374808838 /nfs/dbraw/zinc/80/88/38/374808838.db2.gz YLKBRFPWQQPXGL-HNNXBMFYSA-N 2 2 291.370 1.634 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000449398635 374808844 /nfs/dbraw/zinc/80/88/44/374808844.db2.gz YLKBRFPWQQPXGL-HNNXBMFYSA-N 2 2 291.370 1.634 10 30 CDEELP C=CCCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000662620973 413205476 /nfs/dbraw/zinc/20/54/76/413205476.db2.gz SDKBWLJRSLJBDR-AWEZNQCLSA-N 2 2 281.444 1.908 10 30 CDEELP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000040600051 174350207 /nfs/dbraw/zinc/35/02/07/174350207.db2.gz VMJWGMIPZVBHOL-AWEZNQCLSA-N 2 2 292.427 1.260 10 30 CDEELP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000040600051 174350208 /nfs/dbraw/zinc/35/02/08/174350208.db2.gz VMJWGMIPZVBHOL-AWEZNQCLSA-N 2 2 292.427 1.260 10 30 CDEELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc(OCC#N)c1 ZINC000040639122 174363790 /nfs/dbraw/zinc/36/37/90/174363790.db2.gz NMARYKCPNVSLEV-UHFFFAOYSA-N 2 2 270.336 1.655 10 30 CDEELP C[NH+](C)CC1CC[NH+](CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045315797 175358045 /nfs/dbraw/zinc/35/80/45/175358045.db2.gz MAWJVYXQQPDJER-OAHLLOKOSA-N 3 2 266.433 1.671 10 30 CDEELP C[NH+](C)CCN1C(=O)c2ccc(C[NH+](C)C)cc2[C@H]1C#N ZINC000071680426 176245008 /nfs/dbraw/zinc/24/50/08/176245008.db2.gz XMXRJHYQQQIWME-OAHLLOKOSA-N 2 2 286.379 1.330 10 30 CDEELP C[NH+](C)CCN1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680426 176245010 /nfs/dbraw/zinc/24/50/10/176245010.db2.gz XMXRJHYQQQIWME-OAHLLOKOSA-N 2 2 286.379 1.330 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001669832837 1173617324 /nfs/dbraw/zinc/61/73/24/1173617324.db2.gz JOAHEYRRZQKQJV-ZDUSSCGKSA-N 2 2 291.395 1.645 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001669832837 1173617329 /nfs/dbraw/zinc/61/73/29/1173617329.db2.gz JOAHEYRRZQKQJV-ZDUSSCGKSA-N 2 2 291.395 1.645 10 30 CDEELP CC(C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000261988496 329994747 /nfs/dbraw/zinc/99/47/47/329994747.db2.gz KYTFDFXDKKLLHP-UHFFFAOYSA-N 2 2 258.329 1.080 10 30 CDEELP COc1ccccc1[C@H](CNC1=[NH+]CCN1C)[NH+](C)C ZINC000262672088 330025986 /nfs/dbraw/zinc/02/59/86/330025986.db2.gz RNBZNHAKDSLECA-ZDUSSCGKSA-N 2 2 276.384 1.189 10 30 CDEELP C=CCC(C)(C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423140742 330172317 /nfs/dbraw/zinc/17/23/17/330172317.db2.gz ZKZZZBXXYCQDHI-KBPBESRZSA-N 2 2 252.402 1.945 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000424176939 330317390 /nfs/dbraw/zinc/31/73/90/330317390.db2.gz SGJLWBUTSHSELK-COMQUAJESA-N 2 2 250.386 1.792 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000424176939 330317391 /nfs/dbraw/zinc/31/73/91/330317391.db2.gz SGJLWBUTSHSELK-COMQUAJESA-N 2 2 250.386 1.792 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000495093260 332505725 /nfs/dbraw/zinc/50/57/25/332505725.db2.gz OFDIHRFCGKRSEP-CYBMUJFWSA-N 2 2 265.401 1.284 10 30 CDEELP C=C(C)C[NH+]1CCC(Nc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000676080244 482190780 /nfs/dbraw/zinc/19/07/80/482190780.db2.gz DNDGALUNQFVRHZ-UHFFFAOYSA-N 2 2 290.415 1.698 10 30 CDEELP CC(C)C[NH+]1CCN(CC[C@@H](C#N)[NH2+]C(C)C)CC1 ZINC000062439025 519726086 /nfs/dbraw/zinc/72/60/86/519726086.db2.gz HTNLJYUIVMSVAC-HNNXBMFYSA-N 2 2 266.433 1.540 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CC[C@H](C#N)NC(C)C)CC1 ZINC000062437227 521561508 /nfs/dbraw/zinc/56/15/08/521561508.db2.gz UMUQQUDAWQHEEG-CQSZACIVSA-N 2 2 266.433 1.683 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CC[C@H](C#N)NC(C)C)CC1 ZINC000062437227 521561512 /nfs/dbraw/zinc/56/15/12/521561512.db2.gz UMUQQUDAWQHEEG-CQSZACIVSA-N 2 2 266.433 1.683 10 30 CDEELP N#C[C@@](N)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069082908 526503372 /nfs/dbraw/zinc/50/33/72/526503372.db2.gz KJFYATPHTJQQHD-MRXNPFEDSA-N 2 2 276.428 1.425 10 30 CDEELP N#C[C@@]([NH3+])(CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069082908 526503375 /nfs/dbraw/zinc/50/33/75/526503375.db2.gz KJFYATPHTJQQHD-MRXNPFEDSA-N 2 2 276.428 1.425 10 30 CDEELP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000902796184 625415147 /nfs/dbraw/zinc/41/51/47/625415147.db2.gz KVUZRXANYUJCFJ-TZMCWYRMSA-N 2 2 258.369 1.946 10 30 CDEELP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000902796184 625415150 /nfs/dbraw/zinc/41/51/50/625415150.db2.gz KVUZRXANYUJCFJ-TZMCWYRMSA-N 2 2 258.369 1.946 10 30 CDEELP C=CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000905762354 626967610 /nfs/dbraw/zinc/96/76/10/626967610.db2.gz INKXPPQXTPSRDY-CQSZACIVSA-N 2 2 266.385 1.568 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001691146183 1158932310 /nfs/dbraw/zinc/93/23/10/1158932310.db2.gz PAODNYKJSCCRGY-AWEZNQCLSA-N 2 2 290.411 1.551 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001691146183 1158932317 /nfs/dbraw/zinc/93/23/17/1158932317.db2.gz PAODNYKJSCCRGY-AWEZNQCLSA-N 2 2 290.411 1.551 10 30 CDEELP C#CC[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268409583 1159931185 /nfs/dbraw/zinc/93/11/85/1159931185.db2.gz ZWTDPDGXNFCEBC-CQSZACIVSA-N 2 2 298.390 1.303 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001691544531 1160677445 /nfs/dbraw/zinc/67/74/45/1160677445.db2.gz GGFBTTNQLLXMKU-HDJSIYSDSA-N 2 2 276.384 1.334 10 30 CDEELP C[N@@H+](Cc1cc(C#N)ccn1)C[C@@H]1CCC[NH+](C)C1 ZINC001644681702 1167336464 /nfs/dbraw/zinc/33/64/64/1167336464.db2.gz IWDXGCWCPKHSGX-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C[N@H+](Cc1cc(C#N)ccn1)C[C@@H]1CCC[NH+](C)C1 ZINC001644681702 1167336470 /nfs/dbraw/zinc/33/64/70/1167336470.db2.gz IWDXGCWCPKHSGX-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1cc(C#N)ccn1)C[C@@H]1CCC[N@H+](C)C1 ZINC001644681702 1167336475 /nfs/dbraw/zinc/33/64/75/1167336475.db2.gz IWDXGCWCPKHSGX-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1cc(C#N)ccn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001644681702 1167336481 /nfs/dbraw/zinc/33/64/81/1167336481.db2.gz IWDXGCWCPKHSGX-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C#CCC[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568926396 1169551224 /nfs/dbraw/zinc/55/12/24/1169551224.db2.gz BHRHALNUHJQAOL-GEXIGZQTSA-N 2 2 274.368 1.120 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001571482297 1170448015 /nfs/dbraw/zinc/44/80/15/1170448015.db2.gz BYFYKYVKEYMUEU-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001666323342 1173126215 /nfs/dbraw/zinc/12/62/15/1173126215.db2.gz LRQWGUZXXZHKPQ-SHTZXODSSA-N 2 2 288.395 1.314 10 30 CDEELP C#CC[NH2+]CCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001675921200 1174166140 /nfs/dbraw/zinc/16/61/40/1174166140.db2.gz VPNKBZOVHGEWDO-LBPRGKRZSA-N 2 2 284.363 1.684 10 30 CDEELP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001690211601 1175405820 /nfs/dbraw/zinc/40/58/20/1175405820.db2.gz HFMXLAOGVQHVBZ-XHSDSOJGSA-N 2 2 291.439 1.415 10 30 CDEELP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001690211601 1175405821 /nfs/dbraw/zinc/40/58/21/1175405821.db2.gz HFMXLAOGVQHVBZ-XHSDSOJGSA-N 2 2 291.439 1.415 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001700358921 1176871809 /nfs/dbraw/zinc/87/18/09/1176871809.db2.gz BXSVJXWMTLYWSH-CYBMUJFWSA-N 2 2 262.357 1.061 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001700358921 1176871817 /nfs/dbraw/zinc/87/18/17/1176871817.db2.gz BXSVJXWMTLYWSH-CYBMUJFWSA-N 2 2 262.357 1.061 10 30 CDEELP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001707147610 1177957186 /nfs/dbraw/zinc/95/71/86/1177957186.db2.gz ZUGSLJLRCJVEJJ-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707446309 1178051498 /nfs/dbraw/zinc/05/14/98/1178051498.db2.gz PAFVGGZBSWZQLL-HIFRSBDPSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001714023264 1178932104 /nfs/dbraw/zinc/93/21/04/1178932104.db2.gz YJTFGOACTAGABT-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001714023264 1178932105 /nfs/dbraw/zinc/93/21/05/1178932105.db2.gz YJTFGOACTAGABT-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001714621587 1179274944 /nfs/dbraw/zinc/27/49/44/1179274944.db2.gz HOBHKLCHSKOTII-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001714621587 1179274952 /nfs/dbraw/zinc/27/49/52/1179274952.db2.gz HOBHKLCHSKOTII-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C=C(Cl)C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001714735892 1179366038 /nfs/dbraw/zinc/36/60/38/1179366038.db2.gz DYMQPHKIAFPOAO-UHFFFAOYSA-N 2 2 284.791 1.153 10 30 CDEELP C=CCC[NH2+]C[C@](C)(NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001715118191 1179557844 /nfs/dbraw/zinc/55/78/44/1179557844.db2.gz AXOSLSUCFGNZOL-INIZCTEOSA-N 2 2 290.411 1.711 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715520206 1179696312 /nfs/dbraw/zinc/69/63/12/1179696312.db2.gz KVQMKNLDIWJROP-CHWSQXEVSA-N 2 2 276.384 1.480 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715520206 1179696315 /nfs/dbraw/zinc/69/63/15/1179696315.db2.gz KVQMKNLDIWJROP-CHWSQXEVSA-N 2 2 276.384 1.480 10 30 CDEELP 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CC1(C)C[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)CCO1 ZINC000049609334 520478683 /nfs/dbraw/zinc/47/86/83/520478683.db2.gz AOWDVSPNBDZNOD-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000049609328 523514118 /nfs/dbraw/zinc/51/41/18/523514118.db2.gz DUOHKRFURHCOIK-UHFFFAOYSA-N 2 2 288.391 1.616 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCOC(C)(C)C1 ZINC000049609328 523514126 /nfs/dbraw/zinc/51/41/26/523514126.db2.gz DUOHKRFURHCOIK-UHFFFAOYSA-N 2 2 288.391 1.616 10 30 CDEELP COc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1C#CC[NH3+] ZINC000049609133 524035670 /nfs/dbraw/zinc/03/56/70/524035670.db2.gz DHPBQSZDPFDTFT-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP COc1ccc(C[N@H+]2CCOC[C@H]2C)cc1C#CC[NH3+] ZINC000049609133 524035673 /nfs/dbraw/zinc/03/56/73/524035673.db2.gz DHPBQSZDPFDTFT-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(C#N)cc1F ZINC000062802783 524835667 /nfs/dbraw/zinc/83/56/67/524835667.db2.gz PNIPECLAEAEVHC-JTQLQIEISA-N 2 2 258.300 1.832 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000730105559 574850960 /nfs/dbraw/zinc/85/09/60/574850960.db2.gz KQZZZXLQAFFFBH-CABCVRRESA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000730105559 574850961 /nfs/dbraw/zinc/85/09/61/574850961.db2.gz KQZZZXLQAFFFBH-CABCVRRESA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC000730105559 574850962 /nfs/dbraw/zinc/85/09/62/574850962.db2.gz KQZZZXLQAFFFBH-CABCVRRESA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC000730105559 574850964 /nfs/dbraw/zinc/85/09/64/574850964.db2.gz KQZZZXLQAFFFBH-CABCVRRESA-N 2 2 277.412 1.075 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000927168419 622046905 /nfs/dbraw/zinc/04/69/05/622046905.db2.gz SJEBDAICZFZHDX-CVEARBPZSA-N 2 2 299.422 1.972 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000927168419 622046907 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C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001666574122 1173155245 /nfs/dbraw/zinc/15/52/45/1173155245.db2.gz TZRLVWUUNBXVGK-KGLIPLIRSA-N 2 2 290.411 1.364 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001667728974 1173317656 /nfs/dbraw/zinc/31/76/56/1173317656.db2.gz PKSPCVXIVGEYHL-UKRRQHHQSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001667728974 1173317665 /nfs/dbraw/zinc/31/76/65/1173317665.db2.gz PKSPCVXIVGEYHL-UKRRQHHQSA-N 2 2 288.395 1.240 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001669361607 1173540299 /nfs/dbraw/zinc/54/02/99/1173540299.db2.gz RTGSZUNMMZAOCJ-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504861 1175482600 /nfs/dbraw/zinc/48/26/00/1175482600.db2.gz JURZMGOTTVQSKY-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504861 1175482608 /nfs/dbraw/zinc/48/26/08/1175482608.db2.gz JURZMGOTTVQSKY-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690708206 1175553062 /nfs/dbraw/zinc/55/30/62/1175553062.db2.gz LUDHGUWGKUQWQP-AWEZNQCLSA-N 2 2 296.374 1.328 10 30 CDEELP C=CCC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001692339987 1175741881 /nfs/dbraw/zinc/74/18/81/1175741881.db2.gz GUPJBQKVQRKUHN-LBPRGKRZSA-N 2 2 276.384 1.212 10 30 CDEELP C=CCC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001692339987 1175741886 /nfs/dbraw/zinc/74/18/86/1175741886.db2.gz GUPJBQKVQRKUHN-LBPRGKRZSA-N 2 2 276.384 1.212 10 30 CDEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699110067 1176096311 /nfs/dbraw/zinc/09/63/11/1176096311.db2.gz MTGOXODHFSBCAY-BFHYXJOUSA-N 2 2 290.411 1.964 10 30 CDEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699110067 1176096318 /nfs/dbraw/zinc/09/63/18/1176096318.db2.gz MTGOXODHFSBCAY-BFHYXJOUSA-N 2 2 290.411 1.964 10 30 CDEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699110068 1176097870 /nfs/dbraw/zinc/09/78/70/1176097870.db2.gz MTGOXODHFSBCAY-MGPQQGTHSA-N 2 2 290.411 1.964 10 30 CDEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699110068 1176097877 /nfs/dbraw/zinc/09/78/77/1176097877.db2.gz MTGOXODHFSBCAY-MGPQQGTHSA-N 2 2 290.411 1.964 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001715261624 1179601048 /nfs/dbraw/zinc/60/10/48/1179601048.db2.gz WUBGMERHZVBDCB-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001715414719 1179661190 /nfs/dbraw/zinc/66/11/90/1179661190.db2.gz PLSVSVMBOPZZNY-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001715414719 1179661194 /nfs/dbraw/zinc/66/11/94/1179661194.db2.gz PLSVSVMBOPZZNY-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C 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C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001494925694 972338322 /nfs/dbraw/zinc/33/83/22/972338322.db2.gz PHMZYODNIQSYDX-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001319385244 958529316 /nfs/dbraw/zinc/52/93/16/958529316.db2.gz JBOQFKWAEUFITO-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321124443 959605027 /nfs/dbraw/zinc/60/50/27/959605027.db2.gz GIEWQJCSKGQGQT-RDFMZFSFSA-N 2 2 288.395 1.284 10 30 CDEELP C=C1CCC(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001336942064 960768379 /nfs/dbraw/zinc/76/83/79/960768379.db2.gz MNGCDFHHRQTLJV-UHFFFAOYSA-N 2 2 294.443 1.455 10 30 CDEELP C=C[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336963713 960788358 /nfs/dbraw/zinc/78/83/58/960788358.db2.gz RVZMCDZLJNWBNX-AWEZNQCLSA-N 2 2 280.416 1.160 10 30 CDEELP C=C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336963714 960789731 /nfs/dbraw/zinc/78/97/31/960789731.db2.gz RVZMCDZLJNWBNX-CQSZACIVSA-N 2 2 280.416 1.160 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447373138 966769854 /nfs/dbraw/zinc/76/98/54/966769854.db2.gz MABNGMFFHVYCRZ-UHFFFAOYSA-N 2 2 284.791 1.416 10 30 CDEELP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447373138 966769859 /nfs/dbraw/zinc/76/98/59/966769859.db2.gz MABNGMFFHVYCRZ-UHFFFAOYSA-N 2 2 284.791 1.416 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001495677519 972589198 /nfs/dbraw/zinc/58/91/98/972589198.db2.gz PXZLOSSKOHUSDF-LBPRGKRZSA-N 2 2 264.373 1.260 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001495677519 972589204 /nfs/dbraw/zinc/58/92/04/972589204.db2.gz PXZLOSSKOHUSDF-LBPRGKRZSA-N 2 2 264.373 1.260 10 30 CDEELP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001496445518 972926070 /nfs/dbraw/zinc/92/60/70/972926070.db2.gz BYQQOOIFJNOWJI-TZMCWYRMSA-N 2 2 288.395 1.111 10 30 CDEELP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505768721 974986114 /nfs/dbraw/zinc/98/61/14/974986114.db2.gz PQPQIYKGXINBHX-CHWSQXEVSA-N 2 2 264.373 1.332 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001403016230 976664666 /nfs/dbraw/zinc/66/46/66/976664666.db2.gz SSYSEZXACTWJSB-RYUDHWBXSA-N 2 2 298.818 1.588 10 30 CDEELP C=CCC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001677341904 1174352029 /nfs/dbraw/zinc/35/20/29/1174352029.db2.gz GPVVPTDRHNXZKG-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001570436746 1170158917 /nfs/dbraw/zinc/15/89/17/1170158917.db2.gz DJPAVADFFQYYMW-KBPBESRZSA-N 2 2 288.395 1.335 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001570436746 1170158920 /nfs/dbraw/zinc/15/89/20/1170158920.db2.gz DJPAVADFFQYYMW-KBPBESRZSA-N 2 2 288.395 1.335 10 30 CDEELP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001570720207 1170252704 /nfs/dbraw/zinc/25/27/04/1170252704.db2.gz NPLXWJFNUYJVGM-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001570720207 1170252711 /nfs/dbraw/zinc/25/27/11/1170252711.db2.gz NPLXWJFNUYJVGM-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001570718324 1170252822 /nfs/dbraw/zinc/25/28/22/1170252822.db2.gz UGYUDFLNJJPIAS-CYBMUJFWSA-N 2 2 278.400 1.549 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001570718324 1170252827 /nfs/dbraw/zinc/25/28/27/1170252827.db2.gz UGYUDFLNJJPIAS-CYBMUJFWSA-N 2 2 278.400 1.549 10 30 CDEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073550 342663830 /nfs/dbraw/zinc/66/38/30/342663830.db2.gz GVLSZHQHIKUDSX-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073550 342663831 /nfs/dbraw/zinc/66/38/31/342663831.db2.gz GVLSZHQHIKUDSX-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073550 342663832 /nfs/dbraw/zinc/66/38/32/342663832.db2.gz GVLSZHQHIKUDSX-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073550 342663833 /nfs/dbraw/zinc/66/38/33/342663833.db2.gz GVLSZHQHIKUDSX-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP CCO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000405252317 349782394 /nfs/dbraw/zinc/78/23/94/349782394.db2.gz LKANIFMYXJWVDG-HUUCEWRRSA-N 2 2 259.353 1.354 10 30 CDEELP CCO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000405252317 349782399 /nfs/dbraw/zinc/78/23/99/349782399.db2.gz LKANIFMYXJWVDG-HUUCEWRRSA-N 2 2 259.353 1.354 10 30 CDEELP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632872 343113902 /nfs/dbraw/zinc/11/39/02/343113902.db2.gz INNHCZUTFBZMLL-OAHLLOKOSA-N 2 2 275.396 1.696 10 30 CDEELP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632872 343113903 /nfs/dbraw/zinc/11/39/03/343113903.db2.gz INNHCZUTFBZMLL-OAHLLOKOSA-N 2 2 275.396 1.696 10 30 CDEELP C[C@@H](CC#N)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601809906 344256187 /nfs/dbraw/zinc/25/61/87/344256187.db2.gz ZWNARABOYOZLSQ-LBPRGKRZSA-N 2 2 287.367 1.322 10 30 CDEELP C=CCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000095440435 362524241 /nfs/dbraw/zinc/52/42/41/362524241.db2.gz QYYKWEDNFSTBAX-XYPWUTKMSA-N 2 2 291.439 1.722 10 30 CDEELP C=CCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000095440435 362524248 /nfs/dbraw/zinc/52/42/48/362524248.db2.gz QYYKWEDNFSTBAX-XYPWUTKMSA-N 2 2 291.439 1.722 10 30 CDEELP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017124 374005509 /nfs/dbraw/zinc/00/55/09/374005509.db2.gz CHLPZLLIKLMWIA-ZDUSSCGKSA-N 2 2 267.417 1.483 10 30 CDEELP N#Cc1csc(C[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000352855157 374362799 /nfs/dbraw/zinc/36/27/99/374362799.db2.gz SKRWUMPRSJOQMK-UHFFFAOYSA-N 2 2 264.398 1.980 10 30 CDEELP C[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000173359536 378238306 /nfs/dbraw/zinc/23/83/06/378238306.db2.gz VKWAICYCWYPAFC-UHFFFAOYSA-N 2 2 269.352 1.390 10 30 CDEELP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CC2 ZINC000453274438 391415285 /nfs/dbraw/zinc/41/52/85/391415285.db2.gz WGIZOBBOWTVEOK-WMZOPIPTSA-N 2 2 299.418 1.982 10 30 CDEELP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CC2 ZINC000453274438 391415288 /nfs/dbraw/zinc/41/52/88/391415288.db2.gz WGIZOBBOWTVEOK-WMZOPIPTSA-N 2 2 299.418 1.982 10 30 CDEELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000305804693 149166494 /nfs/dbraw/zinc/16/64/94/149166494.db2.gz FYIZYOTYWSEQIJ-GXTWGEPZSA-N 2 2 291.370 1.805 10 30 CDEELP C=CC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000662685698 413310161 /nfs/dbraw/zinc/31/01/61/413310161.db2.gz GOFWQEOPCGXXGQ-OCCSQVGLSA-N 2 2 262.357 1.086 10 30 CDEELP CC1(C)COCC[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684014 175091825 /nfs/dbraw/zinc/09/18/25/175091825.db2.gz FIPVMOOVTDEMRA-UHFFFAOYSA-N 2 2 264.394 1.669 10 30 CDEELP CC1(C)COCC[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684014 175091826 /nfs/dbraw/zinc/09/18/26/175091826.db2.gz FIPVMOOVTDEMRA-UHFFFAOYSA-N 2 2 264.394 1.669 10 30 CDEELP Cn1cc[nH+]c1CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000045134255 175312828 /nfs/dbraw/zinc/31/28/28/175312828.db2.gz PNKJDNHEYSAGPD-CQSZACIVSA-N 2 2 270.336 1.157 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306058 175355483 /nfs/dbraw/zinc/35/54/83/175355483.db2.gz CLWOWSNXLOVQJC-OAHLLOKOSA-N 2 2 280.416 1.246 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190768 176068688 /nfs/dbraw/zinc/06/86/88/176068688.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190768 176068689 /nfs/dbraw/zinc/06/86/89/176068689.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190768 176068690 /nfs/dbraw/zinc/06/86/90/176068690.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190768 176068691 /nfs/dbraw/zinc/06/86/91/176068691.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 3 2 280.460 1.932 10 30 CDEELP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001667392766 1173262580 /nfs/dbraw/zinc/26/25/80/1173262580.db2.gz DHTIIWGDMXFXCH-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001667632186 1173301939 /nfs/dbraw/zinc/30/19/39/1173301939.db2.gz WHBMHDAXGVJCAW-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)CC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001667632186 1173301945 /nfs/dbraw/zinc/30/19/45/1173301945.db2.gz WHBMHDAXGVJCAW-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)NCC1CCC1 ZINC000262026833 329998622 /nfs/dbraw/zinc/99/86/22/329998622.db2.gz ZTECHILDXHUBIK-UHFFFAOYSA-N 2 2 261.373 1.424 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1ccccc1 ZINC000262717228 330028457 /nfs/dbraw/zinc/02/84/57/330028457.db2.gz SNUNRKSTJZRQPO-AWEZNQCLSA-N 2 2 274.368 1.276 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1ccccc1 ZINC000262717228 330028459 /nfs/dbraw/zinc/02/84/59/330028459.db2.gz SNUNRKSTJZRQPO-AWEZNQCLSA-N 2 2 274.368 1.276 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001269481532 1160060769 /nfs/dbraw/zinc/06/07/69/1160060769.db2.gz AUOWNDMJCAAXOT-STQMWFEESA-N 2 2 278.400 1.649 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482879219 1160639032 /nfs/dbraw/zinc/63/90/32/1160639032.db2.gz PVWHBIFVHCTZFT-ZIAGYGMSSA-N 2 2 276.384 1.342 10 30 CDEELP C[NH+](C)CCN1CC[NH+]([C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000061644268 521764146 /nfs/dbraw/zinc/76/41/46/521764146.db2.gz GXIBOPRIJUEROP-HZPDHXFCSA-N 2 2 278.444 1.638 10 30 CDEELP CCC[NH2+][C@@](C#N)(CN1CC[C@H]([NH+](C)C)C1)C1CC1 ZINC000069083259 520028893 /nfs/dbraw/zinc/02/88/93/520028893.db2.gz ZCZRWZFAKIMUIC-GJZGRUSLSA-N 2 2 264.417 1.294 10 30 CDEELP CCC[NH2+][C@H](C#N)CCN1CC[NH+](CC(C)C)CC1 ZINC000062439023 520059930 /nfs/dbraw/zinc/05/99/30/520059930.db2.gz MLTSQYQZKUJILJ-HNNXBMFYSA-N 2 2 266.433 1.542 10 30 CDEELP C[N@@H+]1CCN(C[C@@]([NH3+])(C#N)C2CC2)[C@H](c2ccccc2)C1 ZINC000069075450 523907906 /nfs/dbraw/zinc/90/79/06/523907906.db2.gz GIFOZYYTPPGVGW-IRXDYDNUSA-N 2 2 284.407 1.606 10 30 CDEELP C[N@H+]1CCN(C[C@@]([NH3+])(C#N)C2CC2)[C@H](c2ccccc2)C1 ZINC000069075450 523907908 /nfs/dbraw/zinc/90/79/08/523907908.db2.gz GIFOZYYTPPGVGW-IRXDYDNUSA-N 2 2 284.407 1.606 10 30 CDEELP N#CCC1(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)CC1 ZINC000931286041 617685676 /nfs/dbraw/zinc/68/56/76/617685676.db2.gz RFGPNABPZZDLCA-UHFFFAOYSA-N 2 2 277.412 1.867 10 30 CDEELP N#CCC1(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)CC1 ZINC000931286041 617685682 /nfs/dbraw/zinc/68/56/82/617685682.db2.gz RFGPNABPZZDLCA-UHFFFAOYSA-N 2 2 277.412 1.867 10 30 CDEELP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000895714339 619810970 /nfs/dbraw/zinc/81/09/70/619810970.db2.gz 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CDEELP C#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001700139892 1176766689 /nfs/dbraw/zinc/76/66/89/1176766689.db2.gz YCCHBRIABWAPEE-ZDUSSCGKSA-N 2 2 274.368 1.096 10 30 CDEELP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707273972 1177988951 /nfs/dbraw/zinc/98/89/51/1177988951.db2.gz AQXZBOPQHMHGNG-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707273972 1177988956 /nfs/dbraw/zinc/98/89/56/1177988956.db2.gz AQXZBOPQHMHGNG-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713375789 1178527525 /nfs/dbraw/zinc/52/75/25/1178527525.db2.gz VXDSHSBEBGPMDE-QWHCGFSZSA-N 2 2 276.384 1.545 10 30 CDEELP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713375789 1178527533 /nfs/dbraw/zinc/52/75/33/1178527533.db2.gz VXDSHSBEBGPMDE-QWHCGFSZSA-N 2 2 276.384 1.545 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713398191 1178536755 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C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001715376255 1179648828 /nfs/dbraw/zinc/64/88/28/1179648828.db2.gz PPVXSJJYNLJUND-GFCCVEGCSA-N 2 2 278.400 1.663 10 30 CDEELP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001715390858 1179655073 /nfs/dbraw/zinc/65/50/73/1179655073.db2.gz IRGOASFNGGEZGE-CQSZACIVSA-N 2 2 290.411 1.106 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001717651776 1180775924 /nfs/dbraw/zinc/77/59/24/1180775924.db2.gz QVDXNNGSYWTFQD-JOCQHMNTSA-N 2 2 276.384 1.321 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001717802746 1180862802 /nfs/dbraw/zinc/86/28/02/1180862802.db2.gz PRHHCGLNNRXYTH-ZIAGYGMSSA-N 2 2 290.411 1.806 10 30 CDEELP CC#CC[N@H+](C)CCN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001717951862 1180943303 /nfs/dbraw/zinc/94/33/03/1180943303.db2.gz JQHCYZJLKXMJER-UHFFFAOYSA-N 2 2 290.411 1.453 10 30 CDEELP CC#CC[N@@H+](C)CCN(C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001717951862 1180943306 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ZINC001325451566 953907741 /nfs/dbraw/zinc/90/77/41/953907741.db2.gz XIAWRVNSABFMSO-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001493268614 972001369 /nfs/dbraw/zinc/00/13/69/972001369.db2.gz GATBLZATDLCLHL-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001493268614 972001371 /nfs/dbraw/zinc/00/13/71/972001371.db2.gz GATBLZATDLCLHL-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328253219 955243605 /nfs/dbraw/zinc/24/36/05/955243605.db2.gz ADXVMGYJHQGTON-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328253219 955243612 /nfs/dbraw/zinc/24/36/12/955243612.db2.gz ADXVMGYJHQGTON-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328253219 955243621 /nfs/dbraw/zinc/24/36/21/955243621.db2.gz ADXVMGYJHQGTON-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328253219 955243630 /nfs/dbraw/zinc/24/36/30/955243630.db2.gz ADXVMGYJHQGTON-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C#CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317395696 957451936 /nfs/dbraw/zinc/45/19/36/957451936.db2.gz APPPLJSAGYDTKE-ZDUSSCGKSA-N 2 2 290.411 1.434 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001320572414 959248449 /nfs/dbraw/zinc/24/84/49/959248449.db2.gz GSHMXYANWDMSPA-ZYHUDNBSSA-N 2 2 298.818 1.825 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001320572414 959248464 /nfs/dbraw/zinc/24/84/64/959248464.db2.gz GSHMXYANWDMSPA-ZYHUDNBSSA-N 2 2 298.818 1.825 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001569339855 1169773520 /nfs/dbraw/zinc/77/35/20/1169773520.db2.gz FROCSDDVSNTWML-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322194579 960127389 /nfs/dbraw/zinc/12/73/89/960127389.db2.gz UUNLOZLBZUJAQO-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322194579 960127397 /nfs/dbraw/zinc/12/73/97/960127397.db2.gz UUNLOZLBZUJAQO-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001323022651 960410677 /nfs/dbraw/zinc/41/06/77/960410677.db2.gz QKHSJZARAHCOHZ-KGLIPLIRSA-N 2 2 288.395 1.116 10 30 CDEELP C=CC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001324336004 961312081 /nfs/dbraw/zinc/31/20/81/961312081.db2.gz TZXATUOPARFRRP-AWEZNQCLSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001569566888 1169926989 /nfs/dbraw/zinc/92/69/89/1169926989.db2.gz LJZGUUQLCRSVJZ-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001498503501 973953635 /nfs/dbraw/zinc/95/36/35/973953635.db2.gz LAEYIHQYWSAWMS-HUUCEWRRSA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001505505525 974896612 /nfs/dbraw/zinc/89/66/12/974896612.db2.gz MAXVVFDCJWIFJA-MOKVOYLWSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406532709 976241154 /nfs/dbraw/zinc/24/11/54/976241154.db2.gz YPNPTGPBBUXQOU-QJPTWQEYSA-N 2 2 296.802 1.370 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001676958542 1174301153 /nfs/dbraw/zinc/30/11/53/1174301153.db2.gz KXOZRJMGXWCSGH-RYUDHWBXSA-N 2 2 262.357 1.013 10 30 CDEELP N#Cc1cnccc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000592494424 342696676 /nfs/dbraw/zinc/69/66/76/342696676.db2.gz VHJYSFMKWBKNEE-OAHLLOKOSA-N 2 2 258.369 1.950 10 30 CDEELP C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2c[nH+]cn2C)c1 ZINC000297874123 200296416 /nfs/dbraw/zinc/29/64/16/200296416.db2.gz PYSFZTXPCGBRLS-UHFFFAOYSA-N 2 2 296.374 1.514 10 30 CDEELP C#Cc1cccc(NC(=O)C[N@H+](C)CCc2c[nH+]cn2C)c1 ZINC000297874123 200296417 /nfs/dbraw/zinc/29/64/17/200296417.db2.gz PYSFZTXPCGBRLS-UHFFFAOYSA-N 2 2 296.374 1.514 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001660845048 1172290549 /nfs/dbraw/zinc/29/05/49/1172290549.db2.gz QOMOKUGKNPCEIK-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001660845048 1172290551 /nfs/dbraw/zinc/29/05/51/1172290551.db2.gz QOMOKUGKNPCEIK-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP CC#CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000645262249 364460403 /nfs/dbraw/zinc/46/04/03/364460403.db2.gz HXZXSNBCWLTJHY-INIZCTEOSA-N 2 2 260.381 1.434 10 30 CDEELP CC#CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000645262249 364460406 /nfs/dbraw/zinc/46/04/06/364460406.db2.gz HXZXSNBCWLTJHY-INIZCTEOSA-N 2 2 260.381 1.434 10 30 CDEELP CC#CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645262249 364460408 /nfs/dbraw/zinc/46/04/08/364460408.db2.gz HXZXSNBCWLTJHY-INIZCTEOSA-N 2 2 260.381 1.434 10 30 CDEELP CC#CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000645262249 364460411 /nfs/dbraw/zinc/46/04/11/364460411.db2.gz HXZXSNBCWLTJHY-INIZCTEOSA-N 2 2 260.381 1.434 10 30 CDEELP C[C@H](CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574162306 371699655 /nfs/dbraw/zinc/69/96/55/371699655.db2.gz GHAKUNGNLVMUES-VPSFDDGASA-N 2 2 290.455 1.921 10 30 CDEELP C[C@H](CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000574162306 371699659 /nfs/dbraw/zinc/69/96/59/371699659.db2.gz GHAKUNGNLVMUES-VPSFDDGASA-N 2 2 290.455 1.921 10 30 CDEELP C=CCN1CC[C@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000639983344 373895372 /nfs/dbraw/zinc/89/53/72/373895372.db2.gz DZTPLSCEHLHQNM-HNNXBMFYSA-N 2 2 291.439 1.724 10 30 CDEELP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000228725113 375799854 /nfs/dbraw/zinc/79/98/54/375799854.db2.gz QOPQRJNUPNMNRX-CQSZACIVSA-N 2 2 265.332 1.100 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001662263058 1172517907 /nfs/dbraw/zinc/51/79/07/1172517907.db2.gz OEGRERDAQRAMIL-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278649 378550933 /nfs/dbraw/zinc/55/09/33/378550933.db2.gz DYYWDYAKVXAYEH-MRXNPFEDSA-N 2 2 257.381 1.859 10 30 CDEELP CC#CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278649 378550937 /nfs/dbraw/zinc/55/09/37/378550937.db2.gz DYYWDYAKVXAYEH-MRXNPFEDSA-N 2 2 257.381 1.859 10 30 CDEELP CC#CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278649 378550941 /nfs/dbraw/zinc/55/09/41/378550941.db2.gz DYYWDYAKVXAYEH-MRXNPFEDSA-N 2 2 257.381 1.859 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)nn1 ZINC000655939702 412952825 /nfs/dbraw/zinc/95/28/25/412952825.db2.gz UAQNCCHWCHOESN-GXTWGEPZSA-N 2 2 263.389 1.413 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)nn1 ZINC000655939702 412952830 /nfs/dbraw/zinc/95/28/30/412952830.db2.gz UAQNCCHWCHOESN-GXTWGEPZSA-N 2 2 263.389 1.413 10 30 CDEELP CC[N@H+](CCC[NH+](C)C)Cc1cnc2ccc(C#N)cn12 ZINC000349374751 154102844 /nfs/dbraw/zinc/10/28/44/154102844.db2.gz ZEZGSDDZAQNXFQ-UHFFFAOYSA-N 2 2 285.395 1.980 10 30 CDEELP CC[N@@H+](CCC[NH+](C)C)Cc1cnc2ccc(C#N)cn12 ZINC000349374751 154102847 /nfs/dbraw/zinc/10/28/47/154102847.db2.gz ZEZGSDDZAQNXFQ-UHFFFAOYSA-N 2 2 285.395 1.980 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306060 175355853 /nfs/dbraw/zinc/35/58/53/175355853.db2.gz PCFBFBZGDMLLNY-HNNXBMFYSA-N 2 2 280.416 1.244 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000071146540 176042843 /nfs/dbraw/zinc/04/28/43/176042843.db2.gz DWUBQHDZAPOACP-ZDUSSCGKSA-N 2 2 268.364 1.852 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000071146540 176042845 /nfs/dbraw/zinc/04/28/45/176042845.db2.gz DWUBQHDZAPOACP-ZDUSSCGKSA-N 2 2 268.364 1.852 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001672240181 1173755140 /nfs/dbraw/zinc/75/51/40/1173755140.db2.gz FOCQEICKUUXIEC-KBPBESRZSA-N 2 2 290.411 1.365 10 30 CDEELP CN[C@@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079709 522403394 /nfs/dbraw/zinc/40/33/94/522403394.db2.gz HMCIWDAPEVCRDZ-HNNXBMFYSA-N 2 2 264.417 1.152 10 30 CDEELP CCN1CC[NH+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608712 521684060 /nfs/dbraw/zinc/68/40/60/521684060.db2.gz HRJBYULGHWPSLI-UHFFFAOYSA-N 2 2 287.407 1.013 10 30 CDEELP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1C#N ZINC000414909033 538269450 /nfs/dbraw/zinc/26/94/50/538269450.db2.gz BTCGSCWSQYJQDT-SMDDNHRTSA-N 2 2 259.353 1.654 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689909866 1175301921 /nfs/dbraw/zinc/30/19/21/1175301921.db2.gz UPPCLYGCZNSJLY-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP N#Cc1cccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903970405 626167690 /nfs/dbraw/zinc/16/76/90/626167690.db2.gz WQPYFPGIASOXMZ-MRXNPFEDSA-N 2 2 285.391 1.807 10 30 CDEELP C=CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(=O)OC ZINC000905767885 626971215 /nfs/dbraw/zinc/97/12/15/626971215.db2.gz PFRZXWWJIRBVAJ-LBPRGKRZSA-N 2 2 286.441 1.521 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691061512 1158865205 /nfs/dbraw/zinc/86/52/05/1158865205.db2.gz HMRUVMMFQKYQLA-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691061512 1158865210 /nfs/dbraw/zinc/86/52/10/1158865210.db2.gz HMRUVMMFQKYQLA-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001269988470 1160081926 /nfs/dbraw/zinc/08/19/26/1160081926.db2.gz AXCOGEJECOSFLI-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000876742979 1165907029 /nfs/dbraw/zinc/90/70/29/1165907029.db2.gz WLGOQNBCADLENI-GFCCVEGCSA-N 2 2 282.775 1.517 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001565822705 1168173417 /nfs/dbraw/zinc/17/34/17/1168173417.db2.gz LEVXBLWXUMKUOW-OAHLLOKOSA-N 2 2 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CDEELP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001667728975 1173317832 /nfs/dbraw/zinc/31/78/32/1173317832.db2.gz PKSPCVXIVGEYHL-ZFWWWQNUSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001669330430 1173537658 /nfs/dbraw/zinc/53/76/58/1173537658.db2.gz AQXKVOBCFXQSRX-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001698572384 1175849866 /nfs/dbraw/zinc/84/98/66/1175849866.db2.gz GNMWGJCSUFOLRM-CQSZACIVSA-N 2 2 276.384 1.071 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001698572384 1175849878 /nfs/dbraw/zinc/84/98/78/1175849878.db2.gz GNMWGJCSUFOLRM-CQSZACIVSA-N 2 2 276.384 1.071 10 30 CDEELP C#CC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001700546616 1177009253 /nfs/dbraw/zinc/00/92/53/1177009253.db2.gz RTCSSRVURBZKAY-CYBMUJFWSA-N 2 2 288.395 1.076 10 30 CDEELP C=C(C)CC[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713906367 1178836392 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1.745 10 30 CDEELP C=CC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001714813246 1179407289 /nfs/dbraw/zinc/40/72/89/1179407289.db2.gz FXCWLMGRNNULHI-CYBMUJFWSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001714882113 1179435704 /nfs/dbraw/zinc/43/57/04/1179435704.db2.gz MCNOXSSWYKGGBS-HUUCEWRRSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001714882113 1179435707 /nfs/dbraw/zinc/43/57/07/1179435707.db2.gz MCNOXSSWYKGGBS-HUUCEWRRSA-N 2 2 290.411 1.848 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001714979158 1179488504 /nfs/dbraw/zinc/48/85/04/1179488504.db2.gz VDPHDCUQWWYAQU-UHFFFAOYSA-N 2 2 287.835 1.519 10 30 CDEELP C#CC[NH2+][C@H](CC)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715066937 1179537529 /nfs/dbraw/zinc/53/75/29/1179537529.db2.gz FVWNLGZKRFWLNM-OAHLLOKOSA-N 2 2 296.374 1.604 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001715096371 1179549742 /nfs/dbraw/zinc/54/97/42/1179549742.db2.gz FKTQVFMIKKHQKM-GXTWGEPZSA-N 2 2 288.395 1.111 10 30 CDEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001715395036 1179656018 /nfs/dbraw/zinc/65/60/18/1179656018.db2.gz RKAPKKUBXLNRGU-CYBMUJFWSA-N 2 2 264.373 1.190 10 30 CDEELP C=CC[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716443121 1180212844 /nfs/dbraw/zinc/21/28/44/1180212844.db2.gz MEIBWADVWICWKZ-JTQLQIEISA-N 2 2 258.325 1.457 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716455317 1180220035 /nfs/dbraw/zinc/22/00/35/1180220035.db2.gz XUOIBCPAMZIUEW-KBPBESRZSA-N 2 2 278.400 1.895 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001716503593 1180258805 /nfs/dbraw/zinc/25/88/05/1180258805.db2.gz SYPUMEWNFXVMON-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001716503593 1180258807 /nfs/dbraw/zinc/25/88/07/1180258807.db2.gz SYPUMEWNFXVMON-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001716881396 1180451817 /nfs/dbraw/zinc/45/18/17/1180451817.db2.gz IHZCUUBPJWQHEI-MRXNPFEDSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001724026515 1181631478 /nfs/dbraw/zinc/63/14/78/1181631478.db2.gz VXZPDCYDMFAILA-UHFFFAOYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001725494079 1182023525 /nfs/dbraw/zinc/02/35/25/1182023525.db2.gz GXTDDRWZDDNXBL-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731515293 1182430768 /nfs/dbraw/zinc/43/07/68/1182430768.db2.gz CKVWSMOTOPPULS-CYBMUJFWSA-N 2 2 296.374 1.638 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001732496612 1182989629 /nfs/dbraw/zinc/98/96/29/1182989629.db2.gz UIAQKOABFNSEAN-ZFWWWQNUSA-N 2 2 290.411 1.365 10 30 CDEELP C#CC[N@H+](C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001732550826 1183003799 /nfs/dbraw/zinc/00/37/99/1183003799.db2.gz HNRRWSRJUYMLHC-UHFFFAOYSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001732550826 1183003806 /nfs/dbraw/zinc/00/38/06/1183003806.db2.gz HNRRWSRJUYMLHC-UHFFFAOYSA-N 2 2 288.395 1.146 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001732569410 1183013863 /nfs/dbraw/zinc/01/38/63/1183013863.db2.gz YFVKSNFNIFSWRL-ZFWWWQNUSA-N 2 2 290.411 1.342 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001732569410 1183013868 /nfs/dbraw/zinc/01/38/68/1183013868.db2.gz YFVKSNFNIFSWRL-ZFWWWQNUSA-N 2 2 290.411 1.342 10 30 CDEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001733709921 1183503381 /nfs/dbraw/zinc/50/33/81/1183503381.db2.gz XXNRJEDBIIBTPO-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001733709921 1183503383 /nfs/dbraw/zinc/50/33/83/1183503383.db2.gz XXNRJEDBIIBTPO-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733709921 1183503387 /nfs/dbraw/zinc/50/33/87/1183503387.db2.gz XXNRJEDBIIBTPO-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733709921 1183503390 /nfs/dbraw/zinc/50/33/90/1183503390.db2.gz XXNRJEDBIIBTPO-HNNXBMFYSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001733709922 1183503574 /nfs/dbraw/zinc/50/35/74/1183503574.db2.gz XXNRJEDBIIBTPO-OAHLLOKOSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001733709922 1183503575 /nfs/dbraw/zinc/50/35/75/1183503575.db2.gz XXNRJEDBIIBTPO-OAHLLOKOSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733709922 1183503577 /nfs/dbraw/zinc/50/35/77/1183503577.db2.gz XXNRJEDBIIBTPO-OAHLLOKOSA-N 2 2 297.443 1.110 10 30 CDEELP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001733709922 1183503578 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C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001567941645 1169082642 /nfs/dbraw/zinc/08/26/42/1169082642.db2.gz FMKMODRRXBUFKC-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=CC[NH+]1CCC(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001568130089 1169142006 /nfs/dbraw/zinc/14/20/06/1169142006.db2.gz NIUARAUOXHWTER-UHFFFAOYSA-N 2 2 276.384 1.357 10 30 CDEELP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001485162831 916617481 /nfs/dbraw/zinc/61/74/81/916617481.db2.gz LSOPJGOYKWOQHM-OLZOCXBDSA-N 2 2 276.384 1.043 10 30 CDEELP C#CC[N@@H+](C)CCN(C(=O)CCc1[nH+]ccn1C)C(C)C ZINC001486372771 920952535 /nfs/dbraw/zinc/95/25/35/920952535.db2.gz JILRFVHNTZGARV-UHFFFAOYSA-N 2 2 290.411 1.155 10 30 CDEELP C#CC[N@H+](C)CCN(C(=O)CCc1[nH+]ccn1C)C(C)C ZINC001486372771 920952548 /nfs/dbraw/zinc/95/25/48/920952548.db2.gz JILRFVHNTZGARV-UHFFFAOYSA-N 2 2 290.411 1.155 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001491060815 936847867 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CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227604 944289032 /nfs/dbraw/zinc/28/90/32/944289032.db2.gz ZHSNLMTURRLHJS-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001279017704 948603549 /nfs/dbraw/zinc/60/35/49/948603549.db2.gz MYANOEDIAKDVDR-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480143660 971599693 /nfs/dbraw/zinc/59/96/93/971599693.db2.gz HLRRPIGCGFMSBV-KKUMJFAQSA-N 2 2 288.395 1.340 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001480381928 971695556 /nfs/dbraw/zinc/69/55/56/971695556.db2.gz GCZJSKLBBLCOFS-OLZOCXBDSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001480381928 971695561 /nfs/dbraw/zinc/69/55/61/971695561.db2.gz GCZJSKLBBLCOFS-OLZOCXBDSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001326733218 954516496 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CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329031740 955640113 /nfs/dbraw/zinc/64/01/13/955640113.db2.gz CXRYRCXSBVRESE-UONOGXRCSA-N 2 2 298.390 1.762 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329471185 955932783 /nfs/dbraw/zinc/93/27/83/955932783.db2.gz KGHAGSAIDGJUMP-QJPTWQEYSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001329471185 955932787 /nfs/dbraw/zinc/93/27/87/955932787.db2.gz KGHAGSAIDGJUMP-QJPTWQEYSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329471185 955932796 /nfs/dbraw/zinc/93/27/96/955932796.db2.gz KGHAGSAIDGJUMP-QJPTWQEYSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001329471185 955932805 /nfs/dbraw/zinc/93/28/05/955932805.db2.gz KGHAGSAIDGJUMP-QJPTWQEYSA-N 2 2 262.357 1.136 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317123727 957287898 /nfs/dbraw/zinc/28/78/98/957287898.db2.gz SRRNYNNKVUOQBE-TXEJJXNPSA-N 2 2 262.357 1.155 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001317190691 957333886 /nfs/dbraw/zinc/33/38/86/957333886.db2.gz QGELXPKWRCYEEG-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001317190691 957333898 /nfs/dbraw/zinc/33/38/98/957333898.db2.gz QGELXPKWRCYEEG-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317363070 957437622 /nfs/dbraw/zinc/43/76/22/957437622.db2.gz FLNQHDBVRNYISH-HUUCEWRRSA-N 2 2 288.395 1.314 10 30 CDEELP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317396596 957451484 /nfs/dbraw/zinc/45/14/84/957451484.db2.gz PJJPGCLWBXVHEQ-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317396596 957451487 /nfs/dbraw/zinc/45/14/87/957451487.db2.gz PJJPGCLWBXVHEQ-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001332289661 957507404 /nfs/dbraw/zinc/50/74/04/957507404.db2.gz AXSUXXAFUICBEV-KBPBESRZSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001318266971 958007173 /nfs/dbraw/zinc/00/71/73/958007173.db2.gz YESFZWRQKFLCGL-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001318266971 958007187 /nfs/dbraw/zinc/00/71/87/958007187.db2.gz YESFZWRQKFLCGL-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001318576833 958180119 /nfs/dbraw/zinc/18/01/19/958180119.db2.gz OCCPEWKTEXOHCA-MGPQQGTHSA-N 2 2 290.411 1.584 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001319255912 958460084 /nfs/dbraw/zinc/46/00/84/958460084.db2.gz BMLPSTFIRYDJBP-STQMWFEESA-N 2 2 278.400 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001319255912 958460090 /nfs/dbraw/zinc/46/00/90/958460090.db2.gz BMLPSTFIRYDJBP-STQMWFEESA-N 2 2 278.400 1.506 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001323023564 960410156 /nfs/dbraw/zinc/41/01/56/960410156.db2.gz XABSKAUSOZDXJB-ZFWWWQNUSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCOc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC001560289814 960916212 /nfs/dbraw/zinc/91/62/12/960916212.db2.gz SCDDZJCAJXTUCW-MRXNPFEDSA-N 2 2 290.407 1.798 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001339029694 962122562 /nfs/dbraw/zinc/12/25/62/962122562.db2.gz NCGLMBXIYMQMFY-SJORKVTESA-N 2 2 297.402 1.257 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001339029694 962122570 /nfs/dbraw/zinc/12/25/70/962122570.db2.gz NCGLMBXIYMQMFY-SJORKVTESA-N 2 2 297.402 1.257 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496091237 972789895 /nfs/dbraw/zinc/78/98/95/972789895.db2.gz BLVZMBUQKPSGMA-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001496350723 972894500 /nfs/dbraw/zinc/89/45/00/972894500.db2.gz LFNQMGAZIHDPFM-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569649259 1169953327 /nfs/dbraw/zinc/95/33/27/1169953327.db2.gz DTEZDUBCCSLUKC-DOMZBBRYSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569649259 1169953332 /nfs/dbraw/zinc/95/33/32/1169953332.db2.gz DTEZDUBCCSLUKC-DOMZBBRYSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001497417640 973338129 /nfs/dbraw/zinc/33/81/29/973338129.db2.gz XXUGEMFYRYLHCV-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001497459980 973355545 /nfs/dbraw/zinc/35/55/45/973355545.db2.gz IBXQDFFESGRWJC-CQSZACIVSA-N 2 2 278.400 1.848 10 30 CDEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001569690647 1169967658 /nfs/dbraw/zinc/96/76/58/1169967658.db2.gz NKQUZNQONSFUKD-MRXNPFEDSA-N 2 2 290.411 1.367 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001499935750 974339981 /nfs/dbraw/zinc/33/99/81/974339981.db2.gz MBIOGMBEJAAMJO-ZDUSSCGKSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001505887117 975017682 /nfs/dbraw/zinc/01/76/82/975017682.db2.gz NZFXDPWIXILVHC-NEPJUHHUSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001505887117 975017688 /nfs/dbraw/zinc/01/76/88/975017688.db2.gz NZFXDPWIXILVHC-NEPJUHHUSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001505887117 975017694 /nfs/dbraw/zinc/01/76/94/975017694.db2.gz NZFXDPWIXILVHC-NEPJUHHUSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001505887117 975017699 /nfs/dbraw/zinc/01/76/99/975017699.db2.gz NZFXDPWIXILVHC-NEPJUHHUSA-N 2 2 273.808 1.270 10 30 CDEELP CC#CC[NH2+]C[C@H](CCCC)NC(=O)Cn1cc[nH+]c1 ZINC001506554395 975179116 /nfs/dbraw/zinc/17/91/16/975179116.db2.gz WMYLFWKNIJBUHC-AWEZNQCLSA-N 2 2 276.384 1.171 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001507334429 975420499 /nfs/dbraw/zinc/42/04/99/975420499.db2.gz IHRAYYGLCCOBKW-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001402952053 976610353 /nfs/dbraw/zinc/61/03/53/976610353.db2.gz YHLBNISLUNAVCS-RYUDHWBXSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001391580833 976972469 /nfs/dbraw/zinc/97/24/69/976972469.db2.gz WCVSODWWWVDHGE-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001391580833 976972476 /nfs/dbraw/zinc/97/24/76/976972476.db2.gz WCVSODWWWVDHGE-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001391580833 976972484 /nfs/dbraw/zinc/97/24/84/976972484.db2.gz WCVSODWWWVDHGE-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001391580833 976972495 /nfs/dbraw/zinc/97/24/95/976972495.db2.gz WCVSODWWWVDHGE-KGLIPLIRSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001404062107 977325388 /nfs/dbraw/zinc/32/53/88/977325388.db2.gz KPGDXJOGZNKRQQ-ZDUSSCGKSA-N 2 2 296.802 1.382 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001404062107 977325394 /nfs/dbraw/zinc/32/53/94/977325394.db2.gz KPGDXJOGZNKRQQ-ZDUSSCGKSA-N 2 2 296.802 1.382 10 30 CDEELP C=CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001570856180 1170302983 /nfs/dbraw/zinc/30/29/83/1170302983.db2.gz QFBFKWDJHPZVEB-CHWSQXEVSA-N 2 2 276.384 1.457 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001657082688 1171926063 /nfs/dbraw/zinc/92/60/63/1171926063.db2.gz IFTUBEJKCWLUOE-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001657082688 1171926067 /nfs/dbraw/zinc/92/60/67/1171926067.db2.gz IFTUBEJKCWLUOE-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000594436661 342899478 /nfs/dbraw/zinc/89/94/78/342899478.db2.gz PGXBZBPFVCIFHP-CHWSQXEVSA-N 2 2 289.383 1.875 10 30 CDEELP Cc1[nH+]cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)n1C ZINC000597086260 343446534 /nfs/dbraw/zinc/44/65/34/343446534.db2.gz JWAJCAOPQAKTDB-UHFFFAOYSA-N 2 2 296.378 1.317 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601666120 344223222 /nfs/dbraw/zinc/22/32/22/344223222.db2.gz ITIMGOCTQWJUOV-UHFFFAOYSA-N 2 2 292.427 1.070 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601666120 344223225 /nfs/dbraw/zinc/22/32/25/344223225.db2.gz ITIMGOCTQWJUOV-UHFFFAOYSA-N 2 2 292.427 1.070 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584327 363043215 /nfs/dbraw/zinc/04/32/15/363043215.db2.gz OTPZGDVRIZDNSA-IYBDPMFKSA-N 2 2 277.412 1.118 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584327 363043223 /nfs/dbraw/zinc/04/32/23/363043223.db2.gz OTPZGDVRIZDNSA-IYBDPMFKSA-N 2 2 277.412 1.118 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640037282 374108368 /nfs/dbraw/zinc/10/83/68/374108368.db2.gz VUNBTFLPUVUTDE-UHFFFAOYSA-N 2 2 293.455 1.993 10 30 CDEELP C=C(C)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915178 374427482 /nfs/dbraw/zinc/42/74/82/374427482.db2.gz KBTJTMNFTNBMMD-INIZCTEOSA-N 2 2 281.444 1.289 10 30 CDEELP C=C(C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915178 374427486 /nfs/dbraw/zinc/42/74/86/374427486.db2.gz KBTJTMNFTNBMMD-INIZCTEOSA-N 2 2 281.444 1.289 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000655939809 412953280 /nfs/dbraw/zinc/95/32/80/412953280.db2.gz UQBCTOFYXZOMNB-AWEZNQCLSA-N 2 2 263.389 1.558 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000655939809 412953286 /nfs/dbraw/zinc/95/32/86/412953286.db2.gz UQBCTOFYXZOMNB-AWEZNQCLSA-N 2 2 263.389 1.558 10 30 CDEELP C[C@@H](CCC#N)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000411286312 391424000 /nfs/dbraw/zinc/42/40/00/391424000.db2.gz VZEQOEXGGSFJFF-ZDUSSCGKSA-N 2 2 288.399 1.357 10 30 CDEELP N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044558571 175203731 /nfs/dbraw/zinc/20/37/31/175203731.db2.gz HMMFBRUFURBZQH-GFCCVEGCSA-N 2 2 292.408 1.762 10 30 CDEELP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044558571 175203733 /nfs/dbraw/zinc/20/37/33/175203733.db2.gz HMMFBRUFURBZQH-GFCCVEGCSA-N 2 2 292.408 1.762 10 30 CDEELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(CC#N)CC1 ZINC000330851168 264068110 /nfs/dbraw/zinc/06/81/10/264068110.db2.gz WSWHRMQAIKUWAV-UHFFFAOYSA-N 2 2 296.378 1.217 10 30 CDEELP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001667400476 1173263692 /nfs/dbraw/zinc/26/36/92/1173263692.db2.gz JXGPWUDOTBOFPG-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001673407750 1173851982 /nfs/dbraw/zinc/85/19/82/1173851982.db2.gz XNCYNZIQEDXRAP-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001673407750 1173851985 /nfs/dbraw/zinc/85/19/85/1173851985.db2.gz XNCYNZIQEDXRAP-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP CC[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N[C@H]1CC1(C)C ZINC000262287447 330004357 /nfs/dbraw/zinc/00/43/57/330004357.db2.gz XXVLWNZJLKPBQT-ZDUSSCGKSA-N 2 2 296.459 1.451 10 30 CDEELP CC[NH+]=C(NCC1(C)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262358108 330007897 /nfs/dbraw/zinc/00/78/97/330007897.db2.gz GFEBVJQNDIKWNU-CQSZACIVSA-N 2 2 294.443 1.159 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001691479708 1159370145 /nfs/dbraw/zinc/37/01/45/1159370145.db2.gz DHGPQRSVKIMCST-UONOGXRCSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001691479708 1159370154 /nfs/dbraw/zinc/37/01/54/1159370154.db2.gz DHGPQRSVKIMCST-UONOGXRCSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1CC ZINC001691479708 1159370163 /nfs/dbraw/zinc/37/01/63/1159370163.db2.gz DHGPQRSVKIMCST-UONOGXRCSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1CC ZINC001691479708 1159370170 /nfs/dbraw/zinc/37/01/70/1159370170.db2.gz DHGPQRSVKIMCST-UONOGXRCSA-N 2 2 276.384 1.497 10 30 CDEELP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001482112577 1159982361 /nfs/dbraw/zinc/98/23/61/1159982361.db2.gz VYYCCUUMYUGLJL-GJZGRUSLSA-N 2 2 290.411 1.445 10 30 CDEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485751143 1161285126 /nfs/dbraw/zinc/28/51/26/1161285126.db2.gz ITSROXPVYINEBI-CYBMUJFWSA-N 2 2 264.373 1.334 10 30 CDEELP CCCN(CC[NH+](C)C)C[C@@](C#N)([NH2+]CC)C1CC1 ZINC000069081388 521656776 /nfs/dbraw/zinc/65/67/76/521656776.db2.gz FMMTUPARXDQZJN-OAHLLOKOSA-N 2 2 266.433 1.542 10 30 CDEELP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049239607 524957983 /nfs/dbraw/zinc/95/79/83/524957983.db2.gz ZXXUPBGPHGOSRI-NSHDSACASA-N 2 2 288.376 1.073 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247193 613027051 /nfs/dbraw/zinc/02/70/51/613027051.db2.gz FVCXHSHHTZPCBF-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247193 613027052 /nfs/dbraw/zinc/02/70/52/613027052.db2.gz FVCXHSHHTZPCBF-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccsc1C#N ZINC000912386991 629957326 /nfs/dbraw/zinc/95/73/26/629957326.db2.gz MNQFPOMREJHSMP-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccsc1C#N ZINC000912386991 629957327 /nfs/dbraw/zinc/95/73/27/629957327.db2.gz MNQFPOMREJHSMP-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691062635 1158865685 /nfs/dbraw/zinc/86/56/85/1158865685.db2.gz UPTYLCOKTCKSSV-ZIAGYGMSSA-N 2 2 276.384 1.553 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691062635 1158865690 /nfs/dbraw/zinc/86/56/90/1158865690.db2.gz UPTYLCOKTCKSSV-ZIAGYGMSSA-N 2 2 276.384 1.553 10 30 CDEELP CC#CC[N@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001267251237 1159210717 /nfs/dbraw/zinc/21/07/17/1159210717.db2.gz ZHOHGUXDPGFXIR-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP CC#CC[N@@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001267251237 1159210723 /nfs/dbraw/zinc/21/07/23/1159210723.db2.gz ZHOHGUXDPGFXIR-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001482113003 1159983129 /nfs/dbraw/zinc/98/31/29/1159983129.db2.gz FQGGTRQKDZZWEQ-ZDUSSCGKSA-N 2 2 291.395 1.551 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001567029514 1168520437 /nfs/dbraw/zinc/52/04/37/1168520437.db2.gz RMXJYQNOWXVNAX-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C#CCC[NH2+]C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568926397 1169551125 /nfs/dbraw/zinc/55/11/25/1169551125.db2.gz BHRHALNUHJQAOL-GJBLVYBDSA-N 2 2 274.368 1.120 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001571457684 1170437267 /nfs/dbraw/zinc/43/72/67/1170437267.db2.gz ZVIWTHGYAOSLRL-UKRRQHHQSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001571457684 1170437271 /nfs/dbraw/zinc/43/72/71/1170437271.db2.gz ZVIWTHGYAOSLRL-UKRRQHHQSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001663668409 1172743751 /nfs/dbraw/zinc/74/37/51/1172743751.db2.gz SUSAMVBIWRGPAY-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001663668409 1172743757 /nfs/dbraw/zinc/74/37/57/1172743757.db2.gz SUSAMVBIWRGPAY-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690365210 1175449697 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10 30 CDEELP C=CC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001734552406 1183821918 /nfs/dbraw/zinc/82/19/18/1183821918.db2.gz ADZOOTFDUSLNHF-UHFFFAOYSA-N 2 2 264.373 1.238 10 30 CDEELP C=C(C)C[N@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001734636417 1183855467 /nfs/dbraw/zinc/85/54/67/1183855467.db2.gz WWGIKJDOJUXHGX-UHFFFAOYSA-N 2 2 288.395 1.287 10 30 CDEELP C=C(C)C[N@@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001734636417 1183855469 /nfs/dbraw/zinc/85/54/69/1183855469.db2.gz WWGIKJDOJUXHGX-UHFFFAOYSA-N 2 2 288.395 1.287 10 30 CDEELP CC1(C)[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676093 792820725 /nfs/dbraw/zinc/82/07/25/792820725.db2.gz YRARBACVFPVGNR-ILXRZTDVSA-N 2 2 270.380 1.819 10 30 CDEELP C=CC[C@H](C(=O)OC)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172375 794215273 /nfs/dbraw/zinc/21/52/73/794215273.db2.gz GUEOBRJIZCOEIK-CYBMUJFWSA-N 2 2 263.341 1.638 10 30 CDEELP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923428913 795544160 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C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001656098761 1171767439 /nfs/dbraw/zinc/76/74/39/1171767439.db2.gz YQXDHMGAYQZQDZ-HOTGVXAUSA-N 2 2 291.439 1.417 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000600716258 342244151 /nfs/dbraw/zinc/24/41/51/342244151.db2.gz DEOFRIJGWBCTTL-AWEZNQCLSA-N 2 2 284.363 1.521 10 30 CDEELP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)CC2(C#N)CC2)C[C@@H](C)O1 ZINC000600719305 342244671 /nfs/dbraw/zinc/24/46/71/342244671.db2.gz UWKZDTCHIGPNFM-RBSFLKMASA-N 2 2 295.427 1.130 10 30 CDEELP N#CCc1cccc2c1CC[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000600747690 342247589 /nfs/dbraw/zinc/24/75/89/342247589.db2.gz AWAHYUWMENTZSS-OAHLLOKOSA-N 2 2 271.364 1.099 10 30 CDEELP N#CCc1cccc2c1CC[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000600747690 342247590 /nfs/dbraw/zinc/24/75/90/342247590.db2.gz AWAHYUWMENTZSS-OAHLLOKOSA-N 2 2 271.364 1.099 10 30 CDEELP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000595962120 343197245 /nfs/dbraw/zinc/19/72/45/343197245.db2.gz WUBSSGANCDUNOU-CQSZACIVSA-N 2 2 288.395 1.189 10 30 CDEELP C=C[C@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000388622743 346069822 /nfs/dbraw/zinc/06/98/22/346069822.db2.gz IZGMWMVXSXKWEJ-CQSZACIVSA-N 2 2 266.385 1.522 10 30 CDEELP C#CCCCCCC[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001660748239 1172269681 /nfs/dbraw/zinc/26/96/81/1172269681.db2.gz BNMMYCMQEKSWRQ-HOTGVXAUSA-N 2 2 265.445 1.794 10 30 CDEELP C#CCCCCCC[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001660748239 1172269684 /nfs/dbraw/zinc/26/96/84/1172269684.db2.gz BNMMYCMQEKSWRQ-HOTGVXAUSA-N 2 2 265.445 1.794 10 30 CDEELP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352827625 374364943 /nfs/dbraw/zinc/36/49/43/374364943.db2.gz ZGDVTDAJPVDJMV-ZYHUDNBSSA-N 2 2 264.398 1.977 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000344219676 379326952 /nfs/dbraw/zinc/32/69/52/379326952.db2.gz MYFUJRYOUCDDGF-HIFRSBDPSA-N 2 2 251.418 1.567 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001664730871 1172900390 /nfs/dbraw/zinc/90/03/90/1172900390.db2.gz IHGPZDLIHWJBBR-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001664730871 1172900397 /nfs/dbraw/zinc/90/03/97/1172900397.db2.gz IHGPZDLIHWJBBR-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C=CC[C@@]1(C(=O)NCc2cn3c(cccc3C)[nH+]2)CCC[NH2+]1 ZINC000662726889 413389092 /nfs/dbraw/zinc/38/90/92/413389092.db2.gz JBNWLRVGBAWMAI-KRWDZBQOSA-N 2 2 298.390 1.957 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001665663838 1173032601 /nfs/dbraw/zinc/03/26/01/1173032601.db2.gz FOZRBQGZYGPEDE-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001665663838 1173032605 /nfs/dbraw/zinc/03/26/05/1173032605.db2.gz FOZRBQGZYGPEDE-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040490867 174291907 /nfs/dbraw/zinc/29/19/07/174291907.db2.gz GBBYJBYQHFSFKD-SOUVJXGZSA-N 2 2 277.412 1.237 10 30 CDEELP CCC[NH+]1CCN(CCC[C@@](C)(C#N)[NH2+]C)CC1 ZINC000045306436 175355771 /nfs/dbraw/zinc/35/57/71/175355771.db2.gz IELDARDHHQYFEF-AWEZNQCLSA-N 2 2 252.406 1.296 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306084 175356014 /nfs/dbraw/zinc/35/60/14/175356014.db2.gz XJERJIMOIGZWPD-MRXNPFEDSA-N 2 2 294.443 1.634 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307869 175356771 /nfs/dbraw/zinc/35/67/71/175356771.db2.gz CUWAUQISJISVGE-HNNXBMFYSA-N 3 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307869 175356772 /nfs/dbraw/zinc/35/67/72/175356772.db2.gz CUWAUQISJISVGE-HNNXBMFYSA-N 3 2 266.433 1.684 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175721378 261242442 /nfs/dbraw/zinc/24/24/42/261242442.db2.gz QPQWOEUBOLLDRD-CVEARBPZSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175721378 261242443 /nfs/dbraw/zinc/24/24/43/261242443.db2.gz QPQWOEUBOLLDRD-CVEARBPZSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175721378 261242446 /nfs/dbraw/zinc/24/24/46/261242446.db2.gz QPQWOEUBOLLDRD-CVEARBPZSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175721378 261242447 /nfs/dbraw/zinc/24/24/47/261242447.db2.gz QPQWOEUBOLLDRD-CVEARBPZSA-N 2 2 293.455 1.849 10 30 CDEELP C[C@@H]1CN(c2cccnc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377989310 274365868 /nfs/dbraw/zinc/36/58/68/274365868.db2.gz PHFBFTNUHGKWGB-CQSZACIVSA-N 2 2 299.422 1.558 10 30 CDEELP C[C@@H]1CN(c2cccnc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377989310 274365869 /nfs/dbraw/zinc/36/58/69/274365869.db2.gz PHFBFTNUHGKWGB-CQSZACIVSA-N 2 2 299.422 1.558 10 30 CDEELP C=C(C)C[NH+]1CCC(C)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001671858018 1173716736 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C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643466 613349954 /nfs/dbraw/zinc/34/99/54/613349954.db2.gz TVEDTTPGIMTWFV-DZGCQCFKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCC[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001566990689 1168489973 /nfs/dbraw/zinc/48/99/73/1168489973.db2.gz QXWXQKZSZAYLPJ-UHFFFAOYSA-N 2 2 290.411 1.556 10 30 CDEELP C#CCC[N@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001567333210 1168686874 /nfs/dbraw/zinc/68/68/74/1168686874.db2.gz MSFFWYNGAMRSGQ-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C#CCC[N@@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001567333210 1168686876 /nfs/dbraw/zinc/68/68/76/1168686876.db2.gz MSFFWYNGAMRSGQ-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568922266 1169549122 /nfs/dbraw/zinc/54/91/22/1169549122.db2.gz SEOLLIPYYMGABF-UUSXEQNQSA-N 2 2 288.395 1.362 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001665355065 1172984997 /nfs/dbraw/zinc/98/49/97/1172984997.db2.gz WCAZDOPAAKAQPD-GFCCVEGCSA-N 2 2 290.411 1.663 10 30 CDEELP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001675368940 1174107807 /nfs/dbraw/zinc/10/78/07/1174107807.db2.gz CHDXARKAEKLASR-YOEHRIQHSA-N 2 2 299.418 1.359 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001699155711 1176115608 /nfs/dbraw/zinc/11/56/08/1176115608.db2.gz DIZBFGPURMWFBJ-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001699367886 1176322456 /nfs/dbraw/zinc/32/24/56/1176322456.db2.gz UXVOIDWVFJPTTI-ZIAGYGMSSA-N 2 2 278.400 1.751 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001699638265 1176539191 /nfs/dbraw/zinc/53/91/91/1176539191.db2.gz FWEXTKFFVJJUNR-AWEZNQCLSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001699638265 1176539197 /nfs/dbraw/zinc/53/91/97/1176539197.db2.gz FWEXTKFFVJJUNR-AWEZNQCLSA-N 2 2 276.384 1.119 10 30 CDEELP CC#CC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001699866686 1176660086 /nfs/dbraw/zinc/66/00/86/1176660086.db2.gz GFGOALQLPPMJRP-UHFFFAOYSA-N 2 2 288.395 1.125 10 30 CDEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713135085 1178389264 /nfs/dbraw/zinc/38/92/64/1178389264.db2.gz BEXRLLYHKWRERJ-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713135085 1178389270 /nfs/dbraw/zinc/38/92/70/1178389270.db2.gz BEXRLLYHKWRERJ-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001713376903 1178527863 /nfs/dbraw/zinc/52/78/63/1178527863.db2.gz KUVFCTMJNAFBHK-KBPBESRZSA-N 2 2 288.395 1.003 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001714499734 1179172287 /nfs/dbraw/zinc/17/22/87/1179172287.db2.gz CYZSHBLJLVTJTR-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001716312226 1180150802 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C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492373840 955838358 /nfs/dbraw/zinc/83/83/58/955838358.db2.gz YZQJSGDGUWXFDI-QGZVFWFLSA-N 2 2 299.418 1.180 10 30 CDEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492373840 955838369 /nfs/dbraw/zinc/83/83/69/955838369.db2.gz YZQJSGDGUWXFDI-QGZVFWFLSA-N 2 2 299.418 1.180 10 30 CDEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001492373840 955838386 /nfs/dbraw/zinc/83/83/86/955838386.db2.gz YZQJSGDGUWXFDI-QGZVFWFLSA-N 2 2 299.418 1.180 10 30 CDEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001492373840 955838400 /nfs/dbraw/zinc/83/84/00/955838400.db2.gz YZQJSGDGUWXFDI-QGZVFWFLSA-N 2 2 299.418 1.180 10 30 CDEELP C#CC[NH2+]CCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001330868572 956674919 /nfs/dbraw/zinc/67/49/19/956674919.db2.gz YNHDKYOIFDERHK-ZDUSSCGKSA-N 2 2 284.363 1.456 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317092898 957264592 /nfs/dbraw/zinc/26/45/92/957264592.db2.gz JXZMCDLIGCLJET-SHTZXODSSA-N 2 2 290.411 1.866 10 30 CDEELP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001317667381 957630804 /nfs/dbraw/zinc/63/08/04/957630804.db2.gz ONQUACQMNACHPS-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C=C(C)CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001333149796 958110518 /nfs/dbraw/zinc/11/05/18/958110518.db2.gz BKFMHPYOQXETHC-UHFFFAOYSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001323305201 960635664 /nfs/dbraw/zinc/63/56/64/960635664.db2.gz ZTNJTIMYQYCMDZ-CJNGLKHVSA-N 2 2 297.418 1.575 10 30 CDEELP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001323305201 960635673 /nfs/dbraw/zinc/63/56/73/960635673.db2.gz ZTNJTIMYQYCMDZ-CJNGLKHVSA-N 2 2 297.418 1.575 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323305201 960635684 /nfs/dbraw/zinc/63/56/84/960635684.db2.gz ZTNJTIMYQYCMDZ-CJNGLKHVSA-N 2 2 297.418 1.575 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323305201 960635696 /nfs/dbraw/zinc/63/56/96/960635696.db2.gz ZTNJTIMYQYCMDZ-CJNGLKHVSA-N 2 2 297.418 1.575 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001439858068 963883026 /nfs/dbraw/zinc/88/30/26/963883026.db2.gz SEEJKBFJLNSJTK-CQSZACIVSA-N 2 2 296.802 1.525 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001439858068 963883034 /nfs/dbraw/zinc/88/30/34/963883034.db2.gz SEEJKBFJLNSJTK-CQSZACIVSA-N 2 2 296.802 1.525 10 30 CDEELP C#CC[NH2+]CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001344557432 964356165 /nfs/dbraw/zinc/35/61/65/964356165.db2.gz NAMYUGZDSXNZDL-UHFFFAOYSA-N 2 2 282.347 1.855 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)Cl)CC1 ZINC001569404321 1169858944 /nfs/dbraw/zinc/85/89/44/1169858944.db2.gz KSHUKGYSUGJADY-ZDUSSCGKSA-N 2 2 295.814 1.075 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)Cl)CC1 ZINC001569404321 1169858952 /nfs/dbraw/zinc/85/89/52/1169858952.db2.gz KSHUKGYSUGJADY-ZDUSSCGKSA-N 2 2 295.814 1.075 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001496357636 972899052 /nfs/dbraw/zinc/89/90/52/972899052.db2.gz MDFIQJRUHLKUIF-OCCSQVGLSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001496886489 973134670 /nfs/dbraw/zinc/13/46/70/973134670.db2.gz GHPMDZYSFWQDPG-ZFWWWQNUSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001496886489 973134675 /nfs/dbraw/zinc/13/46/75/973134675.db2.gz GHPMDZYSFWQDPG-ZFWWWQNUSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001496914379 973143436 /nfs/dbraw/zinc/14/34/36/973143436.db2.gz IWRXWQRLTUBQOV-OCCSQVGLSA-N 2 2 276.384 1.023 10 30 CDEELP C#CCC[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001507105429 975337589 /nfs/dbraw/zinc/33/75/89/975337589.db2.gz VJWYPEDOBSYYSK-CYBMUJFWSA-N 2 2 284.363 1.408 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001674939106 1174041594 /nfs/dbraw/zinc/04/15/94/1174041594.db2.gz RGCLTLNTGYGNNF-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001674939106 1174041601 /nfs/dbraw/zinc/04/16/01/1174041601.db2.gz RGCLTLNTGYGNNF-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001674939106 1174041607 /nfs/dbraw/zinc/04/16/07/1174041607.db2.gz RGCLTLNTGYGNNF-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001674939106 1174041611 /nfs/dbraw/zinc/04/16/11/1174041611.db2.gz RGCLTLNTGYGNNF-CYBMUJFWSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001571519560 1170463434 /nfs/dbraw/zinc/46/34/34/1170463434.db2.gz UCNYGVNYZUWHML-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001571519560 1170463438 /nfs/dbraw/zinc/46/34/38/1170463438.db2.gz UCNYGVNYZUWHML-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001571519560 1170463441 /nfs/dbraw/zinc/46/34/41/1170463441.db2.gz UCNYGVNYZUWHML-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001571519560 1170463444 /nfs/dbraw/zinc/46/34/44/1170463444.db2.gz UCNYGVNYZUWHML-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600744460 342247144 /nfs/dbraw/zinc/24/71/44/342247144.db2.gz CJWUXAXTWWTXKV-OLZOCXBDSA-N 2 2 251.374 1.115 10 30 CDEELP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600744460 342247145 /nfs/dbraw/zinc/24/71/45/342247145.db2.gz CJWUXAXTWWTXKV-OLZOCXBDSA-N 2 2 251.374 1.115 10 30 CDEELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)cc1F ZINC000600711363 349877127 /nfs/dbraw/zinc/87/71/27/349877127.db2.gz SITVTIBBIQRNQB-NSHDSACASA-N 2 2 277.343 1.856 10 30 CDEELP CO[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)[C@@](C)(C[NH3+])C1 ZINC000600885095 349889168 /nfs/dbraw/zinc/88/91/68/349889168.db2.gz KVJXRBQPJMLPNQ-JKSUJKDBSA-N 2 2 273.380 1.805 10 30 CDEELP CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)[C@@](C)(C[NH3+])C1 ZINC000600885095 349889170 /nfs/dbraw/zinc/88/91/70/349889170.db2.gz KVJXRBQPJMLPNQ-JKSUJKDBSA-N 2 2 273.380 1.805 10 30 CDEELP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000617574349 345861929 /nfs/dbraw/zinc/86/19/29/345861929.db2.gz BFIJEAYYRAGEQC-OAHLLOKOSA-N 2 2 258.369 1.869 10 30 CDEELP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000617574349 345861931 /nfs/dbraw/zinc/86/19/31/345861931.db2.gz BFIJEAYYRAGEQC-OAHLLOKOSA-N 2 2 258.369 1.869 10 30 CDEELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809508 346440933 /nfs/dbraw/zinc/44/09/33/346440933.db2.gz DVDZZZAKORASID-BBRMVZONSA-N 2 2 299.422 1.462 10 30 CDEELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809508 346440936 /nfs/dbraw/zinc/44/09/36/346440936.db2.gz DVDZZZAKORASID-BBRMVZONSA-N 2 2 299.422 1.462 10 30 CDEELP C[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C[NH3+])C1 ZINC000226625916 346521775 /nfs/dbraw/zinc/52/17/75/346521775.db2.gz SYNKRUWULVRODY-JTQLQIEISA-N 2 2 299.300 1.051 10 30 CDEELP C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C[NH3+])C1 ZINC000226625916 346521777 /nfs/dbraw/zinc/52/17/77/346521777.db2.gz SYNKRUWULVRODY-JTQLQIEISA-N 2 2 299.300 1.051 10 30 CDEELP C#C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001659753434 1172134658 /nfs/dbraw/zinc/13/46/58/1172134658.db2.gz FOMHHDIVBGORCC-MRXNPFEDSA-N 2 2 290.382 1.416 10 30 CDEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641235 360203238 /nfs/dbraw/zinc/20/32/38/360203238.db2.gz OSSPTQAFQFLIAK-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641235 360203243 /nfs/dbraw/zinc/20/32/43/360203243.db2.gz OSSPTQAFQFLIAK-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641235 360203247 /nfs/dbraw/zinc/20/32/47/360203247.db2.gz OSSPTQAFQFLIAK-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC000166641235 360203252 /nfs/dbraw/zinc/20/32/52/360203252.db2.gz OSSPTQAFQFLIAK-ZBFHGGJFSA-N 2 2 270.380 1.869 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])nn1 ZINC000655942018 412954700 /nfs/dbraw/zinc/95/47/00/412954700.db2.gz IUPGRWKUZJLMIC-UKRRQHHQSA-N 2 2 277.416 1.804 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])nn1 ZINC000655942018 412954702 /nfs/dbraw/zinc/95/47/02/412954702.db2.gz IUPGRWKUZJLMIC-UKRRQHHQSA-N 2 2 277.416 1.804 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000649353904 392088038 /nfs/dbraw/zinc/08/80/38/392088038.db2.gz NOILQJPLMREEPA-CQSZACIVSA-N 2 2 261.369 1.449 10 30 CDEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193821054 392066798 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RYLJIWFGCXLTDO-LSDHHAIUSA-N 2 2 264.417 1.293 10 30 CDEELP CC[NH2+][C@@](C#N)(CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069079237 520125898 /nfs/dbraw/zinc/12/58/98/520125898.db2.gz IDXUSZXCUULXLQ-INIZCTEOSA-N 2 2 280.460 1.788 10 30 CDEELP C#CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000763957533 575042932 /nfs/dbraw/zinc/04/29/32/575042932.db2.gz BXEVFSQGMIJLLD-QGZVFWFLSA-N 2 2 272.392 1.577 10 30 CDEELP C#CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000763957533 575042934 /nfs/dbraw/zinc/04/29/34/575042934.db2.gz BXEVFSQGMIJLLD-QGZVFWFLSA-N 2 2 272.392 1.577 10 30 CDEELP C#CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000763957533 575042936 /nfs/dbraw/zinc/04/29/36/575042936.db2.gz BXEVFSQGMIJLLD-QGZVFWFLSA-N 2 2 272.392 1.577 10 30 CDEELP C#CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000763957533 575042938 /nfs/dbraw/zinc/04/29/38/575042938.db2.gz BXEVFSQGMIJLLD-QGZVFWFLSA-N 2 2 272.392 1.577 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941128964 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C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000900540571 623220396 /nfs/dbraw/zinc/22/03/96/623220396.db2.gz MDSQVZNMSVPSDD-CYBMUJFWSA-N 2 2 276.384 1.624 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000900785804 623481034 /nfs/dbraw/zinc/48/10/34/623481034.db2.gz GELMYGMAQBEZBB-LBPRGKRZSA-N 2 2 264.373 1.143 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266820170 1158861957 /nfs/dbraw/zinc/86/19/57/1158861957.db2.gz JDOBICGPLRSFLN-AWEZNQCLSA-N 2 2 290.411 1.665 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691259051 1158982763 /nfs/dbraw/zinc/98/27/63/1158982763.db2.gz XTEXAIREKICTTR-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267012831 1159079121 /nfs/dbraw/zinc/07/91/21/1159079121.db2.gz IAPOKGNXHIBTRW-KBPBESRZSA-N 2 2 288.395 1.212 10 30 CDEELP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866231324 1164755788 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C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001700762413 1177120026 /nfs/dbraw/zinc/12/00/26/1177120026.db2.gz XLMUXBXIRHRCIA-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714415873 1179130258 /nfs/dbraw/zinc/13/02/58/1179130258.db2.gz MIDWYCPIOYIBOU-GFCCVEGCSA-N 2 2 287.407 1.986 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714894255 1179441978 /nfs/dbraw/zinc/44/19/78/1179441978.db2.gz FPTQGVWYHCDIOR-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714894255 1179441981 /nfs/dbraw/zinc/44/19/81/1179441981.db2.gz FPTQGVWYHCDIOR-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714894255 1179441985 /nfs/dbraw/zinc/44/19/85/1179441985.db2.gz FPTQGVWYHCDIOR-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714894255 1179441990 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C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001725150556 1181883472 /nfs/dbraw/zinc/88/34/72/1181883472.db2.gz SMHLBHCGDVJHCD-AWEZNQCLSA-N 2 2 290.411 1.542 10 30 CDEELP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001725470393 1182011954 /nfs/dbraw/zinc/01/19/54/1182011954.db2.gz ZYIRNASJSYPPTP-CYBMUJFWSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)CC[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001725826629 1182143844 /nfs/dbraw/zinc/14/38/44/1182143844.db2.gz PXFZLDITGYOKGL-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP C=C(C)CC[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001725826629 1182143845 /nfs/dbraw/zinc/14/38/45/1182143845.db2.gz PXFZLDITGYOKGL-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001731529840 1182435999 /nfs/dbraw/zinc/43/59/99/1182435999.db2.gz IYYVBMUXAWHDMW-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001731596641 1182471275 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CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282431755 942713500 /nfs/dbraw/zinc/71/35/00/942713500.db2.gz UFGSMHBBPJBKQM-GFCCVEGCSA-N 2 2 272.352 1.570 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282431755 942713505 /nfs/dbraw/zinc/71/35/05/942713505.db2.gz UFGSMHBBPJBKQM-GFCCVEGCSA-N 2 2 272.352 1.570 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001284613876 943225934 /nfs/dbraw/zinc/22/59/34/943225934.db2.gz JXWLEWOMKUOVSF-AWEZNQCLSA-N 2 2 292.427 1.970 10 30 CDEELP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001277785253 943590550 /nfs/dbraw/zinc/59/05/50/943590550.db2.gz GVROAHNPEGSJQG-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C#CCC[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265931894 944578721 /nfs/dbraw/zinc/57/87/21/944578721.db2.gz ZSGGEDLNMBYPBP-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C#CCC[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265931894 944578726 /nfs/dbraw/zinc/57/87/26/944578726.db2.gz ZSGGEDLNMBYPBP-AWEZNQCLSA-N 2 2 276.384 1.296 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278450587 948202397 /nfs/dbraw/zinc/20/23/97/948202397.db2.gz RFUYGLPUQQAQDE-HOCLYGCPSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278450587 948202404 /nfs/dbraw/zinc/20/24/04/948202404.db2.gz RFUYGLPUQQAQDE-HOCLYGCPSA-N 2 2 290.411 1.818 10 30 CDEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC=C)CC1 ZINC001324427428 953385129 /nfs/dbraw/zinc/38/51/29/953385129.db2.gz YSLBENHJIBEKND-UHFFFAOYSA-N 2 2 286.379 1.064 10 30 CDEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325451567 953907971 /nfs/dbraw/zinc/90/79/71/953907971.db2.gz XIAWRVNSABFMSO-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001425060879 957459781 /nfs/dbraw/zinc/45/97/81/957459781.db2.gz VGAOMXALAXMXCT-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425060879 957459785 /nfs/dbraw/zinc/45/97/85/957459785.db2.gz VGAOMXALAXMXCT-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001425060879 957459790 /nfs/dbraw/zinc/45/97/90/957459790.db2.gz VGAOMXALAXMXCT-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001425060879 957459794 /nfs/dbraw/zinc/45/97/94/957459794.db2.gz VGAOMXALAXMXCT-STQMWFEESA-N 2 2 287.835 1.517 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317433634 957468513 /nfs/dbraw/zinc/46/85/13/957468513.db2.gz FXOBYPWPLJGNRB-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317433634 957468514 /nfs/dbraw/zinc/46/85/14/957468514.db2.gz FXOBYPWPLJGNRB-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001318482660 958125185 /nfs/dbraw/zinc/12/51/85/958125185.db2.gz LHEJSVKSUFPQOC-CABCVRRESA-N 2 2 288.395 1.390 10 30 CDEELP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001318482660 958125192 /nfs/dbraw/zinc/12/51/92/958125192.db2.gz LHEJSVKSUFPQOC-CABCVRRESA-N 2 2 288.395 1.390 10 30 CDEELP C=CCC[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001333419083 958325268 /nfs/dbraw/zinc/32/52/68/958325268.db2.gz CBLQYXWJAUWNEW-UHFFFAOYSA-N 2 2 274.368 1.277 10 30 CDEELP C=CCC[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001333419083 958325281 /nfs/dbraw/zinc/32/52/81/958325281.db2.gz CBLQYXWJAUWNEW-UHFFFAOYSA-N 2 2 274.368 1.277 10 30 CDEELP C=CCCCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336100828 960199961 /nfs/dbraw/zinc/19/99/61/960199961.db2.gz QBHUOAIMMHHOEY-UHFFFAOYSA-N 2 2 296.459 1.845 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001443655624 965550612 /nfs/dbraw/zinc/55/06/12/965550612.db2.gz YWAXZVPYYWZIMK-CHWSQXEVSA-N 2 2 299.846 1.660 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC001444337515 965800166 /nfs/dbraw/zinc/80/01/66/965800166.db2.gz JAIGTHOLGRCOSJ-INIZCTEOSA-N 2 2 289.423 1.171 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001444337515 965800175 /nfs/dbraw/zinc/80/01/75/965800175.db2.gz JAIGTHOLGRCOSJ-INIZCTEOSA-N 2 2 289.423 1.171 10 30 CDEELP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC001444337515 965800183 /nfs/dbraw/zinc/80/01/83/965800183.db2.gz JAIGTHOLGRCOSJ-INIZCTEOSA-N 2 2 289.423 1.171 10 30 CDEELP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC001444337515 965800189 /nfs/dbraw/zinc/80/01/89/965800189.db2.gz JAIGTHOLGRCOSJ-INIZCTEOSA-N 2 2 289.423 1.171 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)Cc1[nH]c(C)c(C)[nH+]1 ZINC001460034318 969468781 /nfs/dbraw/zinc/46/87/81/969468781.db2.gz ZVRRTJLCKDRSDJ-UHFFFAOYSA-N 2 2 250.390 1.966 10 30 CDEELP C=CC[N@H+](C)CCN(CC)Cc1[nH]c(C)c(C)[nH+]1 ZINC001460034318 969468784 /nfs/dbraw/zinc/46/87/84/969468784.db2.gz ZVRRTJLCKDRSDJ-UHFFFAOYSA-N 2 2 250.390 1.966 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498062409 973656421 /nfs/dbraw/zinc/65/64/21/973656421.db2.gz HHEGLQHXAXXTKV-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569687619 1169966496 /nfs/dbraw/zinc/96/64/96/1169966496.db2.gz YFSMJELDWTVVNG-BBRMVZONSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001501848101 974649652 /nfs/dbraw/zinc/64/96/52/974649652.db2.gz GKBGZIVKQGPGRI-OAHLLOKOSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001501848101 974649657 /nfs/dbraw/zinc/64/96/57/974649657.db2.gz GKBGZIVKQGPGRI-OAHLLOKOSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001501848101 974649659 /nfs/dbraw/zinc/64/96/59/974649659.db2.gz GKBGZIVKQGPGRI-OAHLLOKOSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001501848101 974649662 /nfs/dbraw/zinc/64/96/62/974649662.db2.gz GKBGZIVKQGPGRI-OAHLLOKOSA-N 2 2 297.443 1.110 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001378078320 975233035 /nfs/dbraw/zinc/23/30/35/975233035.db2.gz XPDVFKALSVPKBG-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001378078320 975233041 /nfs/dbraw/zinc/23/30/41/975233041.db2.gz XPDVFKALSVPKBG-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001378078320 975233046 /nfs/dbraw/zinc/23/30/46/975233046.db2.gz XPDVFKALSVPKBG-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001378078320 975233051 /nfs/dbraw/zinc/23/30/51/975233051.db2.gz XPDVFKALSVPKBG-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001507419169 975462430 /nfs/dbraw/zinc/46/24/30/975462430.db2.gz OWSCDSNYAYBTAN-KBPBESRZSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001400508800 977067897 /nfs/dbraw/zinc/06/78/97/977067897.db2.gz CIBQJWFIDUXUIU-UHFFFAOYSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001394064147 978044968 /nfs/dbraw/zinc/04/49/68/978044968.db2.gz ZGDSCQXWDOXDGF-JHJVBQTASA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001394064147 978044979 /nfs/dbraw/zinc/04/49/79/978044979.db2.gz ZGDSCQXWDOXDGF-JHJVBQTASA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001394064147 978044987 /nfs/dbraw/zinc/04/49/87/978044987.db2.gz ZGDSCQXWDOXDGF-JHJVBQTASA-N 2 2 287.835 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001394064147 978044993 /nfs/dbraw/zinc/04/49/93/978044993.db2.gz ZGDSCQXWDOXDGF-JHJVBQTASA-N 2 2 287.835 1.516 10 30 CDEELP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001570718325 1170252872 /nfs/dbraw/zinc/25/28/72/1170252872.db2.gz UGYUDFLNJJPIAS-ZDUSSCGKSA-N 2 2 278.400 1.549 10 30 CDEELP C=CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001570718325 1170252877 /nfs/dbraw/zinc/25/28/77/1170252877.db2.gz UGYUDFLNJJPIAS-ZDUSSCGKSA-N 2 2 278.400 1.549 10 30 CDEELP C=CC[NH+]1CC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001570856182 1170302925 /nfs/dbraw/zinc/30/29/25/1170302925.db2.gz QFBFKWDJHPZVEB-QWHCGFSZSA-N 2 2 276.384 1.457 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001571633468 1170502868 /nfs/dbraw/zinc/50/28/68/1170502868.db2.gz OURPWLSHUZGLTE-KGLIPLIRSA-N 2 2 290.411 1.588 10 30 CDEELP C[NH+](C)C1CC[NH+](CCNC(=O)CCCCC#N)CC1 ZINC000594305415 342885988 /nfs/dbraw/zinc/88/59/88/342885988.db2.gz BVPDQEOYDOGOGD-UHFFFAOYSA-N 2 2 280.416 1.213 10 30 CDEELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729468 342245634 /nfs/dbraw/zinc/24/56/34/342245634.db2.gz HGOOQPZQFZCOGY-BNOWGMLFSA-N 2 2 263.385 1.113 10 30 CDEELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729468 342245635 /nfs/dbraw/zinc/24/56/35/342245635.db2.gz HGOOQPZQFZCOGY-BNOWGMLFSA-N 2 2 263.385 1.113 10 30 CDEELP N#Cc1cccc2c1C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000595895919 343183284 /nfs/dbraw/zinc/18/32/84/343183284.db2.gz BPLUKSGAWJUDBK-AWEZNQCLSA-N 2 2 269.348 1.395 10 30 CDEELP N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000595895919 343183285 /nfs/dbraw/zinc/18/32/85/343183285.db2.gz BPLUKSGAWJUDBK-AWEZNQCLSA-N 2 2 269.348 1.395 10 30 CDEELP C#C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001660384532 1172207322 /nfs/dbraw/zinc/20/73/22/1172207322.db2.gz IFRYNFUQJDVPSP-DJIMGWMZSA-N 2 2 272.392 1.623 10 30 CDEELP C#C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001660384532 1172207326 /nfs/dbraw/zinc/20/73/26/1172207326.db2.gz IFRYNFUQJDVPSP-DJIMGWMZSA-N 2 2 272.392 1.623 10 30 CDEELP N#CCC[C@H](C#N)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000565417650 370441890 /nfs/dbraw/zinc/44/18/90/370441890.db2.gz XBLBDDNFBBWNLN-GFCCVEGCSA-N 2 2 253.309 1.867 10 30 CDEELP Cc1cc(NCCC[NH+]2CCC(O)CC2)c(C#N)c(C)[nH+]1 ZINC000301760379 392745846 /nfs/dbraw/zinc/74/58/46/392745846.db2.gz FRUCMPYGZYFZHU-UHFFFAOYSA-N 2 2 288.395 1.829 10 30 CDEELP N#Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1F ZINC000423160742 392958550 /nfs/dbraw/zinc/95/85/50/392958550.db2.gz HTQPMAAWZYHVJH-HZPDHXFCSA-N 2 2 289.354 1.554 10 30 CDEELP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCC[NH+](C)C1 ZINC000092253571 147004791 /nfs/dbraw/zinc/00/47/91/147004791.db2.gz ONTVGZRTEMDALE-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCC[NH+](C)C1 ZINC000092253571 147004799 /nfs/dbraw/zinc/00/47/99/147004799.db2.gz ONTVGZRTEMDALE-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253571 147004805 /nfs/dbraw/zinc/00/48/05/147004805.db2.gz ONTVGZRTEMDALE-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253571 147004809 /nfs/dbraw/zinc/00/48/09/147004809.db2.gz ONTVGZRTEMDALE-OAHLLOKOSA-N 2 2 297.406 1.980 10 30 CDEELP C=CC[C@@]1(C(=O)NCCCNc2cccc[nH+]2)CCC[NH2+]1 ZINC000662681898 413301439 /nfs/dbraw/zinc/30/14/39/413301439.db2.gz NCDPZSPBRQYFAO-INIZCTEOSA-N 2 2 288.395 1.698 10 30 CDEELP C#CCNC(=O)[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020368371 171166208 /nfs/dbraw/zinc/16/62/08/171166208.db2.gz XVZKSWKJZATLDY-HNNXBMFYSA-N 2 2 287.407 1.236 10 30 CDEELP C#CCNC(=O)[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020368371 171166210 /nfs/dbraw/zinc/16/62/10/171166210.db2.gz XVZKSWKJZATLDY-HNNXBMFYSA-N 2 2 287.407 1.236 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000040736309 174389244 /nfs/dbraw/zinc/38/92/44/174389244.db2.gz CUXGQHRWAPFBKX-UHFFFAOYSA-N 2 2 258.365 1.622 10 30 CDEELP [NH3+]CC#Cc1ccc(C[NH+]2CCN(C3CC3)CC2)s1 ZINC000043684044 175091870 /nfs/dbraw/zinc/09/18/70/175091870.db2.gz SGGRAAFBOAGDFQ-UHFFFAOYSA-N 2 2 275.421 1.338 10 30 CDEELP C[C@@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683683 175091945 /nfs/dbraw/zinc/09/19/45/175091945.db2.gz YTULBHPCLVFJIY-LLVKDONJSA-N 2 2 250.367 1.279 10 30 CDEELP C[C@@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683683 175091947 /nfs/dbraw/zinc/09/19/47/175091947.db2.gz YTULBHPCLVFJIY-LLVKDONJSA-N 2 2 250.367 1.279 10 30 CDEELP CC[NH+]1CCN(CC[C@@](C)(C#N)[NH2+]C(C)C)CC1 ZINC000045178789 175324171 /nfs/dbraw/zinc/32/41/71/175324171.db2.gz MIIAISPJCYVMHA-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCC#N)CC1 ZINC000109753866 262256209 /nfs/dbraw/zinc/25/62/09/262256209.db2.gz QBARSGQULZRCSR-HNNXBMFYSA-N 2 2 264.417 1.392 10 30 CDEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCC#N)CC1 ZINC000109753866 262256210 /nfs/dbraw/zinc/25/62/10/262256210.db2.gz QBARSGQULZRCSR-HNNXBMFYSA-N 2 2 264.417 1.392 10 30 CDEELP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCCCCC1 ZINC000125959545 264072518 /nfs/dbraw/zinc/07/25/18/264072518.db2.gz SMYJTZFCHAQUQJ-UHFFFAOYSA-N 2 2 298.394 1.958 10 30 CDEELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000408157532 327141672 /nfs/dbraw/zinc/14/16/72/327141672.db2.gz DFJFSIPMMUOWSY-CQSZACIVSA-N 2 2 292.427 1.165 10 30 CDEELP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(CC#N)cc2)n1C ZINC000582359715 328970582 /nfs/dbraw/zinc/97/05/82/328970582.db2.gz FZAQGRBGQHLFEL-UHFFFAOYSA-N 2 2 283.379 1.842 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268751591 1160014864 /nfs/dbraw/zinc/01/48/64/1160014864.db2.gz VAKHSAYGOKWDPC-UONOGXRCSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268751591 1160014872 /nfs/dbraw/zinc/01/48/72/1160014872.db2.gz VAKHSAYGOKWDPC-UONOGXRCSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268751591 1160014880 /nfs/dbraw/zinc/01/48/80/1160014880.db2.gz VAKHSAYGOKWDPC-UONOGXRCSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268751591 1160014888 /nfs/dbraw/zinc/01/48/88/1160014888.db2.gz VAKHSAYGOKWDPC-UONOGXRCSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001691665078 1161471062 /nfs/dbraw/zinc/47/10/62/1161471062.db2.gz SAOIDTMCKFLVRZ-UONOGXRCSA-N 2 2 290.411 1.711 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055081136 522511308 /nfs/dbraw/zinc/51/13/08/522511308.db2.gz MDNQWJDCNJVLRB-INIZCTEOSA-N 2 2 280.460 1.932 10 30 CDEELP N#CCc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925709202 617801875 /nfs/dbraw/zinc/80/18/75/617801875.db2.gz UAIQLSYNFVOIES-VIQHNZTISA-N 2 2 267.376 1.839 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000924990022 618553028 /nfs/dbraw/zinc/55/30/28/618553028.db2.gz XARUQBOJWZMILZ-CQSZACIVSA-N 2 2 268.401 1.768 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc(OC)c1F ZINC000894639446 619000887 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C=C[C@@H](O)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001633803477 1166452263 /nfs/dbraw/zinc/45/22/63/1166452263.db2.gz ZVBOOIIRUXBXKB-GFCCVEGCSA-N 2 2 258.281 1.061 10 30 CDEELP CN(C)c1ccc(C=[NH+]NCCCn2cc[nH+]c2)cc1 ZINC000848420100 819309556 /nfs/dbraw/zinc/30/95/56/819309556.db2.gz PBUPGFSJRHGXBT-UHFFFAOYSA-N 2 2 271.368 1.963 10 30 CDEELP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000852860360 822258032 /nfs/dbraw/zinc/25/80/32/822258032.db2.gz CLILKHHUKRGLMQ-CQSZACIVSA-N 2 2 286.379 1.119 10 30 CDEELP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001570636951 1167580427 /nfs/dbraw/zinc/58/04/27/1167580427.db2.gz PFRDESQILHBUPJ-NWDGAFQWSA-N 2 2 264.373 1.401 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001267768544 899652177 /nfs/dbraw/zinc/65/21/77/899652177.db2.gz PCJMUDDUXSGFAE-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001267768544 899652179 /nfs/dbraw/zinc/65/21/79/899652179.db2.gz PCJMUDDUXSGFAE-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267772593 899677250 /nfs/dbraw/zinc/67/72/50/899677250.db2.gz DZWQCPUDQUXWKW-HUUCEWRRSA-N 2 2 288.395 1.390 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267772593 899677252 /nfs/dbraw/zinc/67/72/52/899677252.db2.gz DZWQCPUDQUXWKW-HUUCEWRRSA-N 2 2 288.395 1.390 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001268291304 901761792 /nfs/dbraw/zinc/76/17/92/901761792.db2.gz XXBSJCPTLYZIFB-DZGCQCFKSA-N 2 2 290.411 1.793 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481706835 901867097 /nfs/dbraw/zinc/86/70/97/901867097.db2.gz XOOZGEBVPHAWMI-ZIAGYGMSSA-N 2 2 274.368 1.048 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481706835 901867102 /nfs/dbraw/zinc/86/71/02/901867102.db2.gz XOOZGEBVPHAWMI-ZIAGYGMSSA-N 2 2 274.368 1.048 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268693688 902977662 /nfs/dbraw/zinc/97/76/62/902977662.db2.gz KZUQOYQCXCYVBW-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP C=CCCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001567807350 1168987745 /nfs/dbraw/zinc/98/77/45/1168987745.db2.gz HHFGQZZIIORLEE-ZIAGYGMSSA-N 2 2 288.395 1.290 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271664075 906581019 /nfs/dbraw/zinc/58/10/19/906581019.db2.gz CMJSVLWJLJWVDK-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001271860484 906905759 /nfs/dbraw/zinc/90/57/59/906905759.db2.gz IAQPIRJNEWFMEF-ZIAGYGMSSA-N 2 2 290.411 1.362 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482607905 907879628 /nfs/dbraw/zinc/87/96/28/907879628.db2.gz RDHNFZBYJGLIFP-ZDUSSCGKSA-N 2 2 276.384 1.022 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482607905 907879643 /nfs/dbraw/zinc/87/96/43/907879643.db2.gz RDHNFZBYJGLIFP-ZDUSSCGKSA-N 2 2 276.384 1.022 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=C)Cl ZINC001483019605 908696178 /nfs/dbraw/zinc/69/61/78/908696178.db2.gz LESBZOMCNATCHH-NNTXTVRGSA-N 2 2 295.814 1.099 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=C)Cl ZINC001483019605 908696180 /nfs/dbraw/zinc/69/61/80/908696180.db2.gz LESBZOMCNATCHH-NNTXTVRGSA-N 2 2 295.814 1.099 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001496925653 911120133 /nfs/dbraw/zinc/12/01/33/911120133.db2.gz WCGZPARTLQWRSE-QWHCGFSZSA-N 2 2 296.802 1.510 10 30 CDEELP C=C(C)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001485459349 916991467 /nfs/dbraw/zinc/99/14/67/916991467.db2.gz OXCJQTDWRBNRDL-UHFFFAOYSA-N 2 2 290.411 1.868 10 30 CDEELP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001485821107 918023631 /nfs/dbraw/zinc/02/36/31/918023631.db2.gz VWIWSZIYTLZOMZ-AWEZNQCLSA-N 2 2 276.384 1.286 10 30 CDEELP C=CCCn1cc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001184134307 918878497 /nfs/dbraw/zinc/87/84/97/918878497.db2.gz CWTRHVFIUDBNSA-CQSZACIVSA-N 2 2 275.400 1.286 10 30 CDEELP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001485833378 919776292 /nfs/dbraw/zinc/77/62/92/919776292.db2.gz CQUGJNYQRUVVAZ-OAHLLOKOSA-N 2 2 288.395 1.111 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001490946768 936834345 /nfs/dbraw/zinc/83/43/45/936834345.db2.gz HLAHJEBBMHDVDF-HAQNSBGRSA-N 2 2 262.357 1.074 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001491251498 936883945 /nfs/dbraw/zinc/88/39/45/936883945.db2.gz SDJPSFIWVWINHT-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001491251498 936883947 /nfs/dbraw/zinc/88/39/47/936883947.db2.gz SDJPSFIWVWINHT-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001491508234 936926443 /nfs/dbraw/zinc/92/64/43/936926443.db2.gz QGZNJMLKUVDWTJ-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490253568 927058604 /nfs/dbraw/zinc/05/86/04/927058604.db2.gz DTJZSNFCUSZUKX-CQSZACIVSA-N 2 2 278.400 1.848 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490253568 927058618 /nfs/dbraw/zinc/05/86/18/927058618.db2.gz DTJZSNFCUSZUKX-CQSZACIVSA-N 2 2 278.400 1.848 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490548649 927204696 /nfs/dbraw/zinc/20/46/96/927204696.db2.gz CNPWBFGKCJJQGQ-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001490548649 927204707 /nfs/dbraw/zinc/20/47/07/927204707.db2.gz CNPWBFGKCJJQGQ-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490548649 927204722 /nfs/dbraw/zinc/20/47/22/927204722.db2.gz CNPWBFGKCJJQGQ-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001490548649 927204734 /nfs/dbraw/zinc/20/47/34/927204734.db2.gz CNPWBFGKCJJQGQ-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001568682660 1169428943 /nfs/dbraw/zinc/42/89/43/1169428943.db2.gz OTMPBJTWNUTDOD-JTQLQIEISA-N 2 2 270.764 1.189 10 30 CDEELP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001280865582 942529866 /nfs/dbraw/zinc/52/98/66/942529866.db2.gz LCMLLQLOSUJINC-UHFFFAOYSA-N 2 2 278.400 1.699 10 30 CDEELP C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001280865582 942529870 /nfs/dbraw/zinc/52/98/70/942529870.db2.gz LCMLLQLOSUJINC-UHFFFAOYSA-N 2 2 278.400 1.699 10 30 CDEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001281476545 942582301 /nfs/dbraw/zinc/58/23/01/942582301.db2.gz VFKHDGZFIGWWRR-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001281941365 942635637 /nfs/dbraw/zinc/63/56/37/942635637.db2.gz ZHIADHJJBOKQQQ-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001281941365 942635638 /nfs/dbraw/zinc/63/56/38/942635638.db2.gz ZHIADHJJBOKQQQ-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001281941365 942635640 /nfs/dbraw/zinc/63/56/40/942635640.db2.gz ZHIADHJJBOKQQQ-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001281941365 942635643 /nfs/dbraw/zinc/63/56/43/942635643.db2.gz ZHIADHJJBOKQQQ-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316621516 942730983 /nfs/dbraw/zinc/73/09/83/942730983.db2.gz GRCUKICDCCWCCC-TXEJJXNPSA-N 2 2 262.357 1.013 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001316636615 943310968 /nfs/dbraw/zinc/31/09/68/943310968.db2.gz STWYWJYXYOQLOL-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265088168 944225175 /nfs/dbraw/zinc/22/51/75/944225175.db2.gz AMPKPJWHIPFZJR-DZGCQCFKSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227601 944287968 /nfs/dbraw/zinc/28/79/68/944287968.db2.gz ZHSNLMTURRLHJS-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265227601 944287976 /nfs/dbraw/zinc/28/79/76/944287976.db2.gz ZHSNLMTURRLHJS-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001265358486 944356709 /nfs/dbraw/zinc/35/67/09/944356709.db2.gz KSUJAUJFGYLWEM-MCIONIFRSA-N 2 2 286.379 1.021 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001265358486 944356713 /nfs/dbraw/zinc/35/67/13/944356713.db2.gz KSUJAUJFGYLWEM-MCIONIFRSA-N 2 2 286.379 1.021 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265436402 944388279 /nfs/dbraw/zinc/38/82/79/944388279.db2.gz DZRNLCZCFQJJBL-AWEZNQCLSA-N 2 2 288.395 1.140 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001278308319 945681731 /nfs/dbraw/zinc/68/17/31/945681731.db2.gz MNFGZYQFSOKGMV-NWDGAFQWSA-N 2 2 262.357 1.107 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001324498499 953417698 /nfs/dbraw/zinc/41/76/98/953417698.db2.gz VLPIIWLZXNOPQU-OAHLLOKOSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317115713 957281581 /nfs/dbraw/zinc/28/15/81/957281581.db2.gz UCIWGHUTAJGYEM-MCIONIFRSA-N 2 2 288.395 1.258 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001425055593 957456714 /nfs/dbraw/zinc/45/67/14/957456714.db2.gz ZJYAUQMXWRCMNL-HIFRSBDPSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001425055593 957456717 /nfs/dbraw/zinc/45/67/17/957456717.db2.gz ZJYAUQMXWRCMNL-HIFRSBDPSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001425055593 957456720 /nfs/dbraw/zinc/45/67/20/957456720.db2.gz ZJYAUQMXWRCMNL-HIFRSBDPSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001425055593 957456722 /nfs/dbraw/zinc/45/67/22/957456722.db2.gz ZJYAUQMXWRCMNL-HIFRSBDPSA-N 2 2 299.846 1.661 10 30 CDEELP C#CC[N@@H+](CCOCC)C1CC[NH+](CCOCC)CC1 ZINC001333067084 958050422 /nfs/dbraw/zinc/05/04/22/958050422.db2.gz MUXDHDBCQCTNLB-UHFFFAOYSA-N 2 2 282.428 1.459 10 30 CDEELP C#CC[N@H+](CCOCC)C1CC[NH+](CCOCC)CC1 ZINC001333067084 958050427 /nfs/dbraw/zinc/05/04/27/958050427.db2.gz MUXDHDBCQCTNLB-UHFFFAOYSA-N 2 2 282.428 1.459 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001318471008 958119557 /nfs/dbraw/zinc/11/95/57/958119557.db2.gz AXDNCAWLQLHUNP-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001318471008 958119567 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C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001319255909 958459689 /nfs/dbraw/zinc/45/96/89/958459689.db2.gz BMLPSTFIRYDJBP-CHWSQXEVSA-N 2 2 278.400 1.506 10 30 CDEELP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001319634269 958666590 /nfs/dbraw/zinc/66/65/90/958666590.db2.gz BBSNUIWMADZGPM-CQSZACIVSA-N 2 2 290.411 1.404 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001442818092 965233852 /nfs/dbraw/zinc/23/38/52/965233852.db2.gz MBGDGRMSWVSPIN-TZMCWYRMSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001442818092 965233863 /nfs/dbraw/zinc/23/38/63/965233863.db2.gz MBGDGRMSWVSPIN-TZMCWYRMSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001442818092 965233871 /nfs/dbraw/zinc/23/38/71/965233871.db2.gz MBGDGRMSWVSPIN-TZMCWYRMSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001442818092 965233883 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C=CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158175105 361110956 /nfs/dbraw/zinc/11/09/56/361110956.db2.gz CZPQFDARNXAZJN-YIONKMFJSA-N 2 2 292.427 1.125 10 30 CDEELP C=CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158175105 361110964 /nfs/dbraw/zinc/11/09/64/361110964.db2.gz CZPQFDARNXAZJN-YIONKMFJSA-N 2 2 292.427 1.125 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001661366192 1172377694 /nfs/dbraw/zinc/37/76/94/1172377694.db2.gz WVVJBGWFQJBYLA-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001661456301 1172392199 /nfs/dbraw/zinc/39/21/99/1172392199.db2.gz VBMKEDLIXRUKGW-HDJSIYSDSA-N 2 2 290.411 1.556 10 30 CDEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248877736 373920674 /nfs/dbraw/zinc/92/06/74/373920674.db2.gz JUYLDNQVEOBGCP-QLFBSQMISA-N 2 2 265.401 1.769 10 30 CDEELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248877736 373920679 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C=CCCn1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nn1 ZINC000655937598 412953783 /nfs/dbraw/zinc/95/37/83/412953783.db2.gz BXEJUPHGAMWTRA-CHWSQXEVSA-N 2 2 263.389 1.413 10 30 CDEELP N#Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1F ZINC000423160740 392958760 /nfs/dbraw/zinc/95/87/60/392958760.db2.gz HTQPMAAWZYHVJH-HOTGVXAUSA-N 2 2 289.354 1.554 10 30 CDEELP CC#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001664561889 1172867474 /nfs/dbraw/zinc/86/74/74/1172867474.db2.gz QWBWSAWWGUTCES-UHFFFAOYSA-N 2 2 276.384 1.123 10 30 CDEELP CC#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001664561889 1172867478 /nfs/dbraw/zinc/86/74/78/1172867478.db2.gz QWBWSAWWGUTCES-UHFFFAOYSA-N 2 2 276.384 1.123 10 30 CDEELP CN(CC[N@H+](C)C1CC1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000349345811 154095085 /nfs/dbraw/zinc/09/50/85/154095085.db2.gz JAEHKDQIVGKPLQ-UHFFFAOYSA-N 2 2 283.379 1.732 10 30 CDEELP CN(CC[N@@H+](C)C1CC1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000349345811 154095090 /nfs/dbraw/zinc/09/50/90/154095090.db2.gz JAEHKDQIVGKPLQ-UHFFFAOYSA-N 2 2 283.379 1.732 10 30 CDEELP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000040600053 174350409 /nfs/dbraw/zinc/35/04/09/174350409.db2.gz VMJWGMIPZVBHOL-CQSZACIVSA-N 2 2 292.427 1.260 10 30 CDEELP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000040600053 174350411 /nfs/dbraw/zinc/35/04/11/174350411.db2.gz VMJWGMIPZVBHOL-CQSZACIVSA-N 2 2 292.427 1.260 10 30 CDEELP CCCN[C@@](C)(C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045177184 175323443 /nfs/dbraw/zinc/32/34/43/175323443.db2.gz DFCPFVRVORWJKQ-HNNXBMFYSA-N 2 2 266.433 1.542 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCN1CC[NH+](CC)CC1 ZINC000045178785 175324057 /nfs/dbraw/zinc/32/40/57/175324057.db2.gz LPPKAQDTACZVBH-AWEZNQCLSA-N 2 2 252.406 1.296 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCN1CC[NH+](C(C)C)CC1 ZINC000045181110 175324663 /nfs/dbraw/zinc/32/46/63/175324663.db2.gz ICMQXTQWLBOMNQ-HNNXBMFYSA-N 2 2 266.433 1.684 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689859 424431305 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N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])CCCCC1 ZINC000070149654 526434063 /nfs/dbraw/zinc/43/40/63/526434063.db2.gz VWHJHSGQAJCKHX-AWEZNQCLSA-N 2 2 292.427 1.532 10 30 CDEELP N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])CCCCC1 ZINC000070149654 526434065 /nfs/dbraw/zinc/43/40/65/526434065.db2.gz VWHJHSGQAJCKHX-AWEZNQCLSA-N 2 2 292.427 1.532 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000730281773 574909825 /nfs/dbraw/zinc/90/98/25/574909825.db2.gz VQSQNHAVDIOKLR-AWEZNQCLSA-N 2 2 286.379 1.213 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000730281773 574909827 /nfs/dbraw/zinc/90/98/27/574909827.db2.gz VQSQNHAVDIOKLR-AWEZNQCLSA-N 2 2 286.379 1.213 10 30 CDEELP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902745771 625309823 /nfs/dbraw/zinc/30/98/23/625309823.db2.gz VJDNWWOLXQGMPM-ZDUSSCGKSA-N 2 2 276.384 1.572 10 30 CDEELP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902745771 625309831 /nfs/dbraw/zinc/30/98/31/625309831.db2.gz 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C=C(C)C[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001733362246 1183410968 /nfs/dbraw/zinc/41/09/68/1183410968.db2.gz DFVPAQRBLJZCFF-UHFFFAOYSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001733407789 1183424094 /nfs/dbraw/zinc/42/40/94/1183424094.db2.gz MNIMHNGSSGFBEA-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001733407789 1183424101 /nfs/dbraw/zinc/42/41/01/1183424101.db2.gz MNIMHNGSSGFBEA-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001733999468 1183608951 /nfs/dbraw/zinc/60/89/51/1183608951.db2.gz HVGOZFDZKAJRAO-VXGBXAGGSA-N 2 2 264.373 1.022 10 30 CDEELP C[N@H+](CCCn1cc[nH+]c1)Cc1cncc(C#N)c1 ZINC000930125725 823785391 /nfs/dbraw/zinc/78/53/91/823785391.db2.gz PFLINAKIFCEBPW-UHFFFAOYSA-N 2 2 255.325 1.672 10 30 CDEELP C[N@@H+](CCCn1cc[nH+]c1)Cc1cncc(C#N)c1 ZINC000930125725 823785398 /nfs/dbraw/zinc/78/53/98/823785398.db2.gz PFLINAKIFCEBPW-UHFFFAOYSA-N 2 2 255.325 1.672 10 30 CDEELP COc1cccc(O)c1/C=N\CC[N@H+](C)CCC[NH+](C)C ZINC000849169735 823822257 /nfs/dbraw/zinc/82/22/57/823822257.db2.gz GHYWLHJWQZEMAZ-LGMDPLHJSA-N 2 2 293.411 1.703 10 30 CDEELP COc1cccc(O)c1/C=N\CC[N@@H+](C)CCC[NH+](C)C ZINC000849169735 823822258 /nfs/dbraw/zinc/82/22/58/823822258.db2.gz GHYWLHJWQZEMAZ-LGMDPLHJSA-N 2 2 293.411 1.703 10 30 CDEELP CC(C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304777807 824433752 /nfs/dbraw/zinc/43/37/52/824433752.db2.gz DRTKMBSYVSMJDD-UHFFFAOYSA-N 3 2 295.475 1.249 10 30 CDEELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCC#N)cc1 ZINC000854228245 824874238 /nfs/dbraw/zinc/87/42/38/824874238.db2.gz SQVPMJFGZMVZME-FUJMWEONSA-N 2 2 271.364 1.992 10 30 CDEELP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000852857563 825861604 /nfs/dbraw/zinc/86/16/04/825861604.db2.gz XJTGHJBDLWNCQQ-UHFFFAOYSA-N 2 2 294.358 1.814 10 30 CDEELP c1ccc(NCCCCNC2=[NH+]CCCCN2)[nH+]c1 ZINC000849216221 825910797 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C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266947558 896411967 /nfs/dbraw/zinc/41/19/67/896411967.db2.gz BPUPPLJOVLEESP-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001267219670 897190828 /nfs/dbraw/zinc/19/08/28/897190828.db2.gz WPTSBQBTSKGBHZ-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001267219670 897190832 /nfs/dbraw/zinc/19/08/32/897190832.db2.gz WPTSBQBTSKGBHZ-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697083 899312612 /nfs/dbraw/zinc/31/26/12/899312612.db2.gz OIDRSDKRQZFNFT-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697083 899312623 /nfs/dbraw/zinc/31/26/23/899312623.db2.gz OIDRSDKRQZFNFT-CQSZACIVSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268240971 901650078 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C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269356268 903728399 /nfs/dbraw/zinc/72/83/99/903728399.db2.gz OIFMZGRDOONQAN-KBPBESRZSA-N 2 2 276.384 1.428 10 30 CDEELP C#CCC[NH2+]C[C@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001269631749 903997234 /nfs/dbraw/zinc/99/72/34/903997234.db2.gz ZMEYJHYUZDTQMI-INIZCTEOSA-N 2 2 288.395 1.171 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001270315937 904527244 /nfs/dbraw/zinc/52/72/44/904527244.db2.gz KLRMJOVUXXBQHZ-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271035609 905576396 /nfs/dbraw/zinc/57/63/96/905576396.db2.gz NCVOCHHOWBWOLK-LBPRGKRZSA-N 2 2 272.352 1.570 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483273233 910770252 /nfs/dbraw/zinc/77/02/52/910770252.db2.gz BFRDCFDKWJEBMB-STQMWFEESA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483273233 910770265 /nfs/dbraw/zinc/77/02/65/910770265.db2.gz BFRDCFDKWJEBMB-STQMWFEESA-N 2 2 278.400 1.649 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001485161861 916618457 /nfs/dbraw/zinc/61/84/57/916618457.db2.gz HILNIDGHIVTZAI-STQMWFEESA-N 2 2 291.395 1.692 10 30 CDEELP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001491234941 936881268 /nfs/dbraw/zinc/88/12/68/936881268.db2.gz PLQNMQRFTHLORN-AWEZNQCLSA-N 2 2 290.411 1.807 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001491461365 936921034 /nfs/dbraw/zinc/92/10/34/936921034.db2.gz FKIVCYKGKDWMBV-RISCZKNCSA-N 2 2 291.399 1.070 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001491461365 936921035 /nfs/dbraw/zinc/92/10/35/936921035.db2.gz FKIVCYKGKDWMBV-RISCZKNCSA-N 2 2 291.399 1.070 10 30 CDEELP C=C(C)C[N@H+](CC)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490349859 927106605 /nfs/dbraw/zinc/10/66/05/927106605.db2.gz IRLQCYYCZFORRO-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=C(C)C[N@@H+](CC)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490349859 927106613 /nfs/dbraw/zinc/10/66/13/927106613.db2.gz IRLQCYYCZFORRO-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274623343 931523611 /nfs/dbraw/zinc/52/36/11/931523611.db2.gz LEYRSELXWZGHJQ-ZIAGYGMSSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274623343 931523615 /nfs/dbraw/zinc/52/36/15/931523615.db2.gz LEYRSELXWZGHJQ-ZIAGYGMSSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274623343 931523619 /nfs/dbraw/zinc/52/36/19/931523619.db2.gz LEYRSELXWZGHJQ-ZIAGYGMSSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274623343 931523623 /nfs/dbraw/zinc/52/36/23/931523623.db2.gz LEYRSELXWZGHJQ-ZIAGYGMSSA-N 2 2 288.395 1.335 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967652 931620742 /nfs/dbraw/zinc/62/07/42/931620742.db2.gz LSVRWDILAHDGGV-VXGBXAGGSA-N 2 2 264.373 1.401 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275001135 931631115 /nfs/dbraw/zinc/63/11/15/931631115.db2.gz LLUBGAUYNVKHMH-LLVKDONJSA-N 2 2 264.373 1.321 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001316624361 942824861 /nfs/dbraw/zinc/82/48/61/942824861.db2.gz MBFPPFOONJKWHI-TXEJJXNPSA-N 2 2 262.357 1.013 10 30 CDEELP CC#CC[NH2+]CCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001283272304 942869569 /nfs/dbraw/zinc/86/95/69/942869569.db2.gz TUPVQZUCVMXLBO-CQSZACIVSA-N 2 2 290.411 1.251 10 30 CDEELP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001284197541 943107612 /nfs/dbraw/zinc/10/76/12/943107612.db2.gz QLFCLMLQCIPXOO-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265790667 944509060 /nfs/dbraw/zinc/50/90/60/944509060.db2.gz QFSXHTUZFVURAN-LLVKDONJSA-N 2 2 264.373 1.207 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266017846 944635295 /nfs/dbraw/zinc/63/52/95/944635295.db2.gz GBNHBOGEHZMIRR-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266017844 944635887 /nfs/dbraw/zinc/63/58/87/944635887.db2.gz GBNHBOGEHZMIRR-GJZGRUSLSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266232861 944775163 /nfs/dbraw/zinc/77/51/63/944775163.db2.gz CFNJMFZJBUDUOH-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266232861 944775169 /nfs/dbraw/zinc/77/51/69/944775169.db2.gz CFNJMFZJBUDUOH-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279039148 948631283 /nfs/dbraw/zinc/63/12/83/948631283.db2.gz RZWXJWDMBRPOHS-WCQYABFASA-N 2 2 276.384 1.273 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001569170617 1169699800 /nfs/dbraw/zinc/69/98/00/1169699800.db2.gz SGTGQHGIIHBEIR-KGLIPLIRSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316663345 955076855 /nfs/dbraw/zinc/07/68/55/955076855.db2.gz GQBKNDKUPWQPPI-QWHCGFSZSA-N 2 2 276.384 1.403 10 30 CDEELP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001491964475 955549497 /nfs/dbraw/zinc/54/94/97/955549497.db2.gz ZJHNTWLVIMOJPL-CQSZACIVSA-N 2 2 288.395 1.207 10 30 CDEELP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001491964475 955549502 /nfs/dbraw/zinc/54/95/02/955549502.db2.gz ZJHNTWLVIMOJPL-CQSZACIVSA-N 2 2 288.395 1.207 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001492037116 955624290 /nfs/dbraw/zinc/62/42/90/955624290.db2.gz QMTQBZOSXTYFDZ-IJLUTSLNSA-N 2 2 262.357 1.184 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001492037116 955624299 /nfs/dbraw/zinc/62/42/99/955624299.db2.gz QMTQBZOSXTYFDZ-IJLUTSLNSA-N 2 2 262.357 1.184 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001492437430 955885021 /nfs/dbraw/zinc/88/50/21/955885021.db2.gz CNIXWXIOZLOHQL-ZDUSSCGKSA-N 2 2 264.373 1.458 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001492437430 955885025 /nfs/dbraw/zinc/88/50/25/955885025.db2.gz CNIXWXIOZLOHQL-ZDUSSCGKSA-N 2 2 264.373 1.458 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001316733500 956193518 /nfs/dbraw/zinc/19/35/18/956193518.db2.gz CDTRURORNSPYMI-LSDHHAIUSA-N 2 2 288.395 1.335 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001316733500 956193530 /nfs/dbraw/zinc/19/35/30/956193530.db2.gz CDTRURORNSPYMI-LSDHHAIUSA-N 2 2 288.395 1.335 10 30 CDEELP C#CC[NH2+]CCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001330868571 956674797 /nfs/dbraw/zinc/67/47/97/956674797.db2.gz YNHDKYOIFDERHK-CYBMUJFWSA-N 2 2 284.363 1.456 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316878248 957084074 /nfs/dbraw/zinc/08/40/74/957084074.db2.gz HBFRMSRPZPIKLC-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316878237 957084309 /nfs/dbraw/zinc/08/43/09/957084309.db2.gz HBFRMSRPZPIKLC-CABCVRRESA-N 2 2 288.395 1.266 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317606319 957594330 /nfs/dbraw/zinc/59/43/30/957594330.db2.gz NAQWNOIERQQRHG-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001318529407 958158974 /nfs/dbraw/zinc/15/89/74/958158974.db2.gz LNBCJJJUNUDQKU-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001318529407 958158980 /nfs/dbraw/zinc/15/89/80/958158980.db2.gz LNBCJJJUNUDQKU-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001318543641 958164203 /nfs/dbraw/zinc/16/42/03/958164203.db2.gz YVQSHUWPWDJCQG-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001319255910 958461379 /nfs/dbraw/zinc/46/13/79/958461379.db2.gz BMLPSTFIRYDJBP-OLZOCXBDSA-N 2 2 278.400 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001319255910 958461384 /nfs/dbraw/zinc/46/13/84/958461384.db2.gz BMLPSTFIRYDJBP-OLZOCXBDSA-N 2 2 278.400 1.506 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC ZINC001569339853 1169773216 /nfs/dbraw/zinc/77/32/16/1169773216.db2.gz FROCSDDVSNTWML-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC001348271559 965905052 /nfs/dbraw/zinc/90/50/52/965905052.db2.gz PCAYBGJBUZTHKI-IHRRRGAJSA-N 2 2 250.386 1.630 10 30 CDEELP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC001348271559 965905064 /nfs/dbraw/zinc/90/50/64/965905064.db2.gz PCAYBGJBUZTHKI-IHRRRGAJSA-N 2 2 250.386 1.630 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001569527551 1169911050 /nfs/dbraw/zinc/91/10/50/1169911050.db2.gz QFYOQMWUTKCXRH-GXTWGEPZSA-N 2 2 288.395 1.253 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001495795182 972634843 /nfs/dbraw/zinc/63/48/43/972634843.db2.gz GPKWAPHWAPTYPA-CYBMUJFWSA-N 2 2 278.400 1.271 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001498325065 973828231 /nfs/dbraw/zinc/82/82/31/973828231.db2.gz VAJOMBCPZZWIOB-OLZOCXBDSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001498325065 973828246 /nfs/dbraw/zinc/82/82/46/973828246.db2.gz VAJOMBCPZZWIOB-OLZOCXBDSA-N 2 2 276.384 1.068 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001499264124 974224706 /nfs/dbraw/zinc/22/47/06/974224706.db2.gz SITQIGIYNVDHRY-UHFFFAOYSA-N 2 2 268.320 1.048 10 30 CDEELP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001500226999 974406072 /nfs/dbraw/zinc/40/60/72/974406072.db2.gz ZSLPJCUVBGVMFU-HNNXBMFYSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001500226999 974406077 /nfs/dbraw/zinc/40/60/77/974406077.db2.gz ZSLPJCUVBGVMFU-HNNXBMFYSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001500226999 974406080 /nfs/dbraw/zinc/40/60/80/974406080.db2.gz ZSLPJCUVBGVMFU-HNNXBMFYSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001500226999 974406082 /nfs/dbraw/zinc/40/60/82/974406082.db2.gz ZSLPJCUVBGVMFU-HNNXBMFYSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001500529892 974447187 /nfs/dbraw/zinc/44/71/87/974447187.db2.gz PBOCCLYOQDGXRU-OAHLLOKOSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001500529892 974447191 /nfs/dbraw/zinc/44/71/91/974447191.db2.gz PBOCCLYOQDGXRU-OAHLLOKOSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001505631921 974943925 /nfs/dbraw/zinc/94/39/25/974943925.db2.gz HTDIEQFSSUSADA-STQMWFEESA-N 2 2 291.395 1.692 10 30 CDEELP C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001377331679 974978800 /nfs/dbraw/zinc/97/88/00/974978800.db2.gz USSRTICDKNFZEZ-UHFFFAOYSA-N 2 2 284.791 1.382 10 30 CDEELP C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001377331679 974978808 /nfs/dbraw/zinc/97/88/08/974978808.db2.gz USSRTICDKNFZEZ-UHFFFAOYSA-N 2 2 284.791 1.382 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001505887118 975017809 /nfs/dbraw/zinc/01/78/09/975017809.db2.gz NZFXDPWIXILVHC-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001505887118 975017812 /nfs/dbraw/zinc/01/78/12/975017812.db2.gz NZFXDPWIXILVHC-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001505887118 975017819 /nfs/dbraw/zinc/01/78/19/975017819.db2.gz NZFXDPWIXILVHC-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001505887118 975017824 /nfs/dbraw/zinc/01/78/24/975017824.db2.gz NZFXDPWIXILVHC-RYUDHWBXSA-N 2 2 273.808 1.270 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001398615293 976075260 /nfs/dbraw/zinc/07/52/60/976075260.db2.gz RUCSLLPKXODCCB-RWMBFGLXSA-N 2 2 296.802 1.824 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001380684737 976515171 /nfs/dbraw/zinc/51/51/71/976515171.db2.gz WEVPISCREXYHTO-QWHCGFSZSA-N 2 2 296.802 1.462 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001391580840 976957254 /nfs/dbraw/zinc/95/72/54/976957254.db2.gz WCVSODWWWVDHGE-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001391580840 976957259 /nfs/dbraw/zinc/95/72/59/976957259.db2.gz WCVSODWWWVDHGE-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001391580840 976957264 /nfs/dbraw/zinc/95/72/64/976957264.db2.gz WCVSODWWWVDHGE-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001391580840 976957273 /nfs/dbraw/zinc/95/72/73/976957273.db2.gz WCVSODWWWVDHGE-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001676783620 1174270833 /nfs/dbraw/zinc/27/08/33/1174270833.db2.gz MJMZNHJLBSJDRR-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001571369262 1170387514 /nfs/dbraw/zinc/38/75/14/1170387514.db2.gz WIHHNNGMSHYDQM-ZFWWWQNUSA-N 2 2 288.395 1.294 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001571633470 1170502788 /nfs/dbraw/zinc/50/27/88/1170502788.db2.gz OURPWLSHUZGLTE-ZIAGYGMSSA-N 2 2 290.411 1.588 10 30 CDEELP Cc1cn2cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc2[nH+]1 ZINC000594439775 342906567 /nfs/dbraw/zinc/90/65/67/342906567.db2.gz ZMUGGNMKAKKKBU-CYBMUJFWSA-N 2 2 285.351 1.993 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000594441048 342907351 /nfs/dbraw/zinc/90/73/51/342907351.db2.gz LRFCHSICOMWYJD-CYBMUJFWSA-N 2 2 289.383 1.411 10 30 CDEELP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600750926 342247439 /nfs/dbraw/zinc/24/74/39/342247439.db2.gz XSCJOHCKOBRVJF-LSDHHAIUSA-N 2 2 295.427 1.132 10 30 CDEELP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600750926 342247440 /nfs/dbraw/zinc/24/74/40/342247440.db2.gz XSCJOHCKOBRVJF-LSDHHAIUSA-N 2 2 295.427 1.132 10 30 CDEELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994468 346566026 /nfs/dbraw/zinc/56/60/26/346566026.db2.gz IEHWKXWWSAWTTN-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994468 346566029 /nfs/dbraw/zinc/56/60/29/346566029.db2.gz IEHWKXWWSAWTTN-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994468 346566032 /nfs/dbraw/zinc/56/60/32/346566032.db2.gz IEHWKXWWSAWTTN-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994468 346566035 /nfs/dbraw/zinc/56/60/35/346566035.db2.gz IEHWKXWWSAWTTN-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000336395339 356165224 /nfs/dbraw/zinc/16/52/24/356165224.db2.gz RLUWUWUERUWRCD-NSHDSACASA-N 2 2 256.309 1.874 10 30 CDEELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000336395339 356165226 /nfs/dbraw/zinc/16/52/26/356165226.db2.gz RLUWUWUERUWRCD-NSHDSACASA-N 2 2 256.309 1.874 10 30 CDEELP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033716 374216442 /nfs/dbraw/zinc/21/64/42/374216442.db2.gz ZTKMRDVAKPMRGX-XJKSGUPXSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033716 374216448 /nfs/dbraw/zinc/21/64/48/374216448.db2.gz ZTKMRDVAKPMRGX-XJKSGUPXSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033716 374216452 /nfs/dbraw/zinc/21/64/52/374216452.db2.gz ZTKMRDVAKPMRGX-XJKSGUPXSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033716 374216456 /nfs/dbraw/zinc/21/64/56/374216456.db2.gz ZTKMRDVAKPMRGX-XJKSGUPXSA-N 2 2 297.406 1.978 10 30 CDEELP Cc1cc(NC[C@@H]2CC[NH2+]CC2(F)F)c(C#N)c[nH+]1 ZINC000424415711 374412573 /nfs/dbraw/zinc/41/25/73/374412573.db2.gz TUFPYZVHDRZBCN-NSHDSACASA-N 2 2 266.295 1.340 10 30 CDEELP Cc1cc(NC[C@](C)(O)C[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000132927640 375638980 /nfs/dbraw/zinc/63/89/80/375638980.db2.gz RGDVUGHADWAHBD-AWEZNQCLSA-N 2 2 262.357 1.295 10 30 CDEELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCCC#N)CC2)CCO1 ZINC000069607436 376731048 /nfs/dbraw/zinc/73/10/48/376731048.db2.gz XJESCXNWLXKSGF-CQSZACIVSA-N 2 2 265.401 1.865 10 30 CDEELP C[C@@H]1C[N@H+](C2CC[NH+](CCCCC#N)CC2)CCO1 ZINC000069607436 376731057 /nfs/dbraw/zinc/73/10/57/376731057.db2.gz XJESCXNWLXKSGF-CQSZACIVSA-N 2 2 265.401 1.865 10 30 CDEELP C=CCCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000076735360 377487495 /nfs/dbraw/zinc/48/74/95/377487495.db2.gz OHANHUQRDVJJBN-UHFFFAOYSA-N 2 2 297.443 1.111 10 30 CDEELP C=CCCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000076735360 377487507 /nfs/dbraw/zinc/48/75/07/377487507.db2.gz OHANHUQRDVJJBN-UHFFFAOYSA-N 2 2 297.443 1.111 10 30 CDEELP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399011690 378285390 /nfs/dbraw/zinc/28/53/90/378285390.db2.gz YFCNKKJTBWMAQV-IACUBPJLSA-N 2 2 256.353 1.825 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)nn1 ZINC000655939838 412954118 /nfs/dbraw/zinc/95/41/18/412954118.db2.gz LKHCAYRCPRZDKT-CHWSQXEVSA-N 2 2 263.389 1.271 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)nn1 ZINC000655939838 412954123 /nfs/dbraw/zinc/95/41/23/412954123.db2.gz LKHCAYRCPRZDKT-CHWSQXEVSA-N 2 2 263.389 1.271 10 30 CDEELP C=CCOCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657658833 412963716 /nfs/dbraw/zinc/96/37/16/412963716.db2.gz GIMSSAUQFUECKF-UHFFFAOYSA-N 2 2 252.362 1.168 10 30 CDEELP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033715 392843818 /nfs/dbraw/zinc/84/38/18/392843818.db2.gz ZTKMRDVAKPMRGX-CZUORRHYSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033715 392843823 /nfs/dbraw/zinc/84/38/23/392843823.db2.gz ZTKMRDVAKPMRGX-CZUORRHYSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033715 392843829 /nfs/dbraw/zinc/84/38/29/392843829.db2.gz ZTKMRDVAKPMRGX-CZUORRHYSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000519033715 392843832 /nfs/dbraw/zinc/84/38/32/392843832.db2.gz ZTKMRDVAKPMRGX-CZUORRHYSA-N 2 2 297.406 1.978 10 30 CDEELP C[C@H]1CN(c2cccnc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377989308 393090815 /nfs/dbraw/zinc/09/08/15/393090815.db2.gz PHFBFTNUHGKWGB-AWEZNQCLSA-N 2 2 299.422 1.558 10 30 CDEELP Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000124030617 393117478 /nfs/dbraw/zinc/11/74/78/393117478.db2.gz OQSIYSBTVPHQHT-ZUZCIYMTSA-N 2 2 258.369 1.956 10 30 CDEELP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855171 413061758 /nfs/dbraw/zinc/06/17/58/413061758.db2.gz ABMHHQFDFKRAMZ-GJZGRUSLSA-N 2 2 279.428 1.485 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683698 175091940 /nfs/dbraw/zinc/09/19/40/175091940.db2.gz XIGJKMVTFDVWPV-UHFFFAOYSA-N 3 2 277.437 1.584 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CC[C@@](C)(C#N)NC)CC1 ZINC000045182534 175325333 /nfs/dbraw/zinc/32/53/33/175325333.db2.gz MXTPSFGYRSXRAJ-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CC[C@@](C)(C#N)NC)CC1 ZINC000045182534 175325334 /nfs/dbraw/zinc/32/53/34/175325334.db2.gz MXTPSFGYRSXRAJ-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP CCOC1CC[NH+](CCCC[C@](C)([NH3+])C#N)CC1 ZINC000045313050 175356951 /nfs/dbraw/zinc/35/69/51/175356951.db2.gz VCUNEKRIDBVQSA-AWEZNQCLSA-N 2 2 253.390 1.899 10 30 CDEELP C=CC[C@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000662687646 424316967 /nfs/dbraw/zinc/31/69/67/424316967.db2.gz HTMFFFUKROVQBV-UKRRQHHQSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001669330428 1173538068 /nfs/dbraw/zinc/53/80/68/1173538068.db2.gz AQXKVOBCFXQSRX-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCCCCC1 ZINC000262572166 330021788 /nfs/dbraw/zinc/02/17/88/330021788.db2.gz ZHDOHLHNLRNQGN-UHFFFAOYSA-N 2 2 275.400 1.910 10 30 CDEELP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001725514834 1159248572 /nfs/dbraw/zinc/24/85/72/1159248572.db2.gz XZOAJAPYPDFBFE-UONOGXRCSA-N 2 2 276.384 1.294 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CC1 ZINC001670797904 1159993893 /nfs/dbraw/zinc/99/38/93/1159993893.db2.gz PIQGVMGRRITLPX-KBPBESRZSA-N 2 2 295.402 1.071 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CC1 ZINC001670797904 1159993899 /nfs/dbraw/zinc/99/38/99/1159993899.db2.gz PIQGVMGRRITLPX-KBPBESRZSA-N 2 2 295.402 1.071 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081115 520128460 /nfs/dbraw/zinc/12/84/60/520128460.db2.gz ZDLIMHHUEMEJHO-MRXNPFEDSA-N 2 2 280.460 1.932 10 30 CDEELP CCC[NH2+][C@@H](C#N)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000062438970 519984427 /nfs/dbraw/zinc/98/44/27/519984427.db2.gz KXFUQVYEAHMWGV-LSDHHAIUSA-N 2 2 266.433 1.684 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCOCC1(C)C ZINC000049609891 523513527 /nfs/dbraw/zinc/51/35/27/523513527.db2.gz SFOASNTXIAKHHS-UHFFFAOYSA-N 2 2 288.391 1.616 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCOCC1(C)C ZINC000049609891 523513534 /nfs/dbraw/zinc/51/35/34/523513534.db2.gz SFOASNTXIAKHHS-UHFFFAOYSA-N 2 2 288.391 1.616 10 30 CDEELP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049239599 524961453 /nfs/dbraw/zinc/96/14/53/524961453.db2.gz SPNIGBIFCJOCKD-ZDUSSCGKSA-N 2 2 282.347 1.012 10 30 CDEELP N#CCOc1ccc(Cl)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000735308887 575455029 /nfs/dbraw/zinc/45/50/29/575455029.db2.gz XEEZIQRGMZNKFO-CHWSQXEVSA-N 2 2 291.782 1.894 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000900399403 622999537 /nfs/dbraw/zinc/99/95/37/622999537.db2.gz DZMMYZJSRRPCPU-UHFFFAOYSA-N 2 2 298.390 1.996 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074717 1158891968 /nfs/dbraw/zinc/89/19/68/1158891968.db2.gz GOJQDMZZAJKPAW-LSDHHAIUSA-N 2 2 290.411 1.771 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001691074717 1158891982 /nfs/dbraw/zinc/89/19/82/1158891982.db2.gz GOJQDMZZAJKPAW-LSDHHAIUSA-N 2 2 290.411 1.771 10 30 CDEELP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001570675245 1170228041 /nfs/dbraw/zinc/22/80/41/1170228041.db2.gz DLORXGYFQUXXOC-UHFFFAOYSA-N 2 2 276.384 1.050 10 30 CDEELP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001570675245 1170228037 /nfs/dbraw/zinc/22/80/37/1170228037.db2.gz DLORXGYFQUXXOC-UHFFFAOYSA-N 2 2 276.384 1.050 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001571397382 1170410462 /nfs/dbraw/zinc/41/04/62/1170410462.db2.gz YNGRFIRLRHSUGC-LBPRGKRZSA-N 2 2 272.352 1.570 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001664583068 1172869857 /nfs/dbraw/zinc/86/98/57/1172869857.db2.gz FOPCENLLUOUNFY-DLBZAZTESA-N 2 2 299.418 1.551 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001664583068 1172869864 /nfs/dbraw/zinc/86/98/64/1172869864.db2.gz FOPCENLLUOUNFY-DLBZAZTESA-N 2 2 299.418 1.551 10 30 CDEELP C=C(C)CC[NH2+]C/C=C\CNC(=O)Cc1[nH]c[nH+]c1C ZINC001669162780 1173513939 /nfs/dbraw/zinc/51/39/39/1173513939.db2.gz RBKZUNNAJQRYLE-PLNGDYQASA-N 2 2 276.384 1.489 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001669887272 1173625119 /nfs/dbraw/zinc/62/51/19/1173625119.db2.gz DPDJYMCGFNKGNY-UONOGXRCSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001669887272 1173625126 /nfs/dbraw/zinc/62/51/26/1173625126.db2.gz DPDJYMCGFNKGNY-UONOGXRCSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001688947499 1175075364 /nfs/dbraw/zinc/07/53/64/1175075364.db2.gz GFWIMCDBQVPVOK-IHRRRGAJSA-N 2 2 290.411 1.791 10 30 CDEELP CC#CC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001692134784 1175681587 /nfs/dbraw/zinc/68/15/87/1175681587.db2.gz CLQLZFZZRMEIDM-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699028229 1176048790 /nfs/dbraw/zinc/04/87/90/1176048790.db2.gz KPSAPWBYOVXKCI-KBPBESRZSA-N 2 2 296.374 1.456 10 30 CDEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001699970612 1176701351 /nfs/dbraw/zinc/70/13/51/1176701351.db2.gz MLBZMHYDOMLWND-OLZOCXBDSA-N 2 2 276.384 1.212 10 30 CDEELP C#CC[N@@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001700189010 1176791294 /nfs/dbraw/zinc/79/12/94/1176791294.db2.gz VSXCIWNQBRLAIA-UHFFFAOYSA-N 2 2 284.363 1.361 10 30 CDEELP C#CC[N@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001700189010 1176791298 /nfs/dbraw/zinc/79/12/98/1176791298.db2.gz VSXCIWNQBRLAIA-UHFFFAOYSA-N 2 2 284.363 1.361 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001700473212 1176962410 /nfs/dbraw/zinc/96/24/10/1176962410.db2.gz FWSYBJIJUBRARL-LLVKDONJSA-N 2 2 261.797 1.127 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001700473212 1176962415 /nfs/dbraw/zinc/96/24/15/1176962415.db2.gz FWSYBJIJUBRARL-LLVKDONJSA-N 2 2 261.797 1.127 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001700762414 1177120096 /nfs/dbraw/zinc/12/00/96/1177120096.db2.gz XLMUXBXIRHRCIA-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700928887 1177197658 /nfs/dbraw/zinc/19/76/58/1177197658.db2.gz DFSDWUGKAKGSGK-STQMWFEESA-N 2 2 276.384 1.321 10 30 CDEELP C=CCCC[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001701022444 1177244004 /nfs/dbraw/zinc/24/40/04/1177244004.db2.gz SYNXDUFNUHVLGR-UHFFFAOYSA-N 2 2 290.411 1.818 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001713440037 1178558433 /nfs/dbraw/zinc/55/84/33/1178558433.db2.gz LDQCRDBTBRYXPH-AWEZNQCLSA-N 2 2 288.395 1.336 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001713440037 1178558439 /nfs/dbraw/zinc/55/84/39/1178558439.db2.gz LDQCRDBTBRYXPH-AWEZNQCLSA-N 2 2 288.395 1.336 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001713867216 1178803061 /nfs/dbraw/zinc/80/30/61/1178803061.db2.gz DFHGLFVZJDPVNM-CYBMUJFWSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001713867216 1178803072 /nfs/dbraw/zinc/80/30/72/1178803072.db2.gz DFHGLFVZJDPVNM-CYBMUJFWSA-N 2 2 262.357 1.013 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001714084833 1178966663 /nfs/dbraw/zinc/96/66/63/1178966663.db2.gz JVHBIZWPMHHMDB-HUUCEWRRSA-N 2 2 288.395 1.296 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001715014371 1179510570 /nfs/dbraw/zinc/51/05/70/1179510570.db2.gz MAMFICOBKTZUBJ-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001715014371 1179510578 /nfs/dbraw/zinc/51/05/78/1179510578.db2.gz MAMFICOBKTZUBJ-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@@H]1C ZINC001715151114 1179566002 /nfs/dbraw/zinc/56/60/02/1179566002.db2.gz ZHJMEOPIVKBMDL-BBRMVZONSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001715340313 1179634216 /nfs/dbraw/zinc/63/42/16/1179634216.db2.gz QJNRCNMVXOVZBV-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001715414718 1179661950 /nfs/dbraw/zinc/66/19/50/1179661950.db2.gz PLSVSVMBOPZZNY-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001715414718 1179661951 /nfs/dbraw/zinc/66/19/51/1179661951.db2.gz PLSVSVMBOPZZNY-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715466782 1179674639 /nfs/dbraw/zinc/67/46/39/1179674639.db2.gz OBBMNDWYNVSDEN-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716179910 1180085783 /nfs/dbraw/zinc/08/57/83/1180085783.db2.gz DRGANUPXSITYGD-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716179910 1180085788 /nfs/dbraw/zinc/08/57/88/1180085788.db2.gz DRGANUPXSITYGD-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001723528822 1181583298 /nfs/dbraw/zinc/58/32/98/1181583298.db2.gz FISYKVGPRFEHSA-ZDUSSCGKSA-N 2 2 288.395 1.260 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001725069970 1181844013 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/nfs/dbraw/zinc/43/72/85/957437285.db2.gz FLNQHDBVRNYISH-GJZGRUSLSA-N 2 2 288.395 1.314 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001425242111 957497828 /nfs/dbraw/zinc/49/78/28/957497828.db2.gz HNSBQFXIURKBNM-AAEUAGOBSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001425242111 957497832 /nfs/dbraw/zinc/49/78/32/957497832.db2.gz HNSBQFXIURKBNM-AAEUAGOBSA-N 2 2 299.846 1.517 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC001317727440 957649244 /nfs/dbraw/zinc/64/92/44/957649244.db2.gz RRBIZLOMUMDXRY-MRXNPFEDSA-N 2 2 296.374 1.043 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001319385362 958528943 /nfs/dbraw/zinc/52/89/43/958528943.db2.gz LISRMZNRIKZEAH-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001319926846 958791526 /nfs/dbraw/zinc/79/15/26/958791526.db2.gz DTYJGUYTFREZDB-AWEZNQCLSA-N 2 2 298.390 1.702 10 30 CDEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001335352606 959739207 /nfs/dbraw/zinc/73/92/07/959739207.db2.gz MTMAVITVCVDOAR-KRWDZBQOSA-N 2 2 290.382 1.416 10 30 CDEELP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001495280805 972463015 /nfs/dbraw/zinc/46/30/15/972463015.db2.gz JXKPCHNVTHQULW-BLLLJJGKSA-N 2 2 288.395 1.096 10 30 CDEELP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001495280805 972463019 /nfs/dbraw/zinc/46/30/19/972463019.db2.gz JXKPCHNVTHQULW-BLLLJJGKSA-N 2 2 288.395 1.096 10 30 CDEELP COCC#CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560237627 960899982 /nfs/dbraw/zinc/89/99/82/960899982.db2.gz BWMWZENXBQQFAL-IYBDPMFKSA-N 2 2 262.397 1.444 10 30 CDEELP COCC#CC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560237627 960899999 /nfs/dbraw/zinc/89/99/99/960899999.db2.gz BWMWZENXBQQFAL-IYBDPMFKSA-N 2 2 262.397 1.444 10 30 CDEELP COCC#CC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001560237627 960900015 /nfs/dbraw/zinc/90/00/15/960900015.db2.gz BWMWZENXBQQFAL-IYBDPMFKSA-N 2 2 262.397 1.444 10 30 CDEELP COCC#CC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001560237627 960900027 /nfs/dbraw/zinc/90/00/27/960900027.db2.gz BWMWZENXBQQFAL-IYBDPMFKSA-N 2 2 262.397 1.444 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444730591 965933795 /nfs/dbraw/zinc/93/37/95/965933795.db2.gz RPEDWFVFSXXKJQ-NSHDSACASA-N 2 2 270.764 1.072 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001495666752 972585659 /nfs/dbraw/zinc/58/56/59/972585659.db2.gz DWHNNVBTQGJCTJ-CYBMUJFWSA-N 2 2 290.411 1.290 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001496886484 973134798 /nfs/dbraw/zinc/13/47/98/973134798.db2.gz GHPMDZYSFWQDPG-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001496886484 973134802 /nfs/dbraw/zinc/13/48/02/973134802.db2.gz GHPMDZYSFWQDPG-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001501628579 974613162 /nfs/dbraw/zinc/61/31/62/974613162.db2.gz FSCUPVBZGQRYDL-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001501628579 974613167 /nfs/dbraw/zinc/61/31/67/974613167.db2.gz FSCUPVBZGQRYDL-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001507162041 975359220 /nfs/dbraw/zinc/35/92/20/975359220.db2.gz DEJWPFXBHKATBV-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001677430745 1174360541 /nfs/dbraw/zinc/36/05/41/1174360541.db2.gz CGNAJQXYYFBRRS-NFOMZHRRSA-N 2 2 290.411 1.989 10 30 CDEELP C[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C[NH3+])C1 ZINC000124486408 342065060 /nfs/dbraw/zinc/06/50/60/342065060.db2.gz SYNKRUWULVRODY-SNVBAGLBSA-N 2 2 299.300 1.051 10 30 CDEELP C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C[NH3+])C1 ZINC000124486408 342065061 /nfs/dbraw/zinc/06/50/61/342065061.db2.gz SYNKRUWULVRODY-SNVBAGLBSA-N 2 2 299.300 1.051 10 30 CDEELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccncc1C#N ZINC000592084821 342664516 /nfs/dbraw/zinc/66/45/16/342664516.db2.gz UMMXQWBIFGDSPT-UHFFFAOYSA-N 2 2 269.352 1.980 10 30 CDEELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccncc1C#N ZINC000592084821 342664517 /nfs/dbraw/zinc/66/45/17/342664517.db2.gz UMMXQWBIFGDSPT-UHFFFAOYSA-N 2 2 269.352 1.980 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000594015995 342866050 /nfs/dbraw/zinc/86/60/50/342866050.db2.gz RDGPDQZYSLVORG-UHFFFAOYSA-N 2 2 286.379 1.250 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000594015995 342866051 /nfs/dbraw/zinc/86/60/51/342866051.db2.gz RDGPDQZYSLVORG-UHFFFAOYSA-N 2 2 286.379 1.250 10 30 CDEELP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449394338 362689600 /nfs/dbraw/zinc/68/96/00/362689600.db2.gz NTELLGUOSJBRNF-KFWWJZLASA-N 2 2 265.401 1.505 10 30 CDEELP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449394338 362689603 /nfs/dbraw/zinc/68/96/03/362689603.db2.gz NTELLGUOSJBRNF-KFWWJZLASA-N 2 2 265.401 1.505 10 30 CDEELP C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001660748795 1172269699 /nfs/dbraw/zinc/26/96/99/1172269699.db2.gz PGDURGCOLHUEBJ-KKUMJFAQSA-N 2 2 253.434 1.955 10 30 CDEELP C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001660748795 1172269701 /nfs/dbraw/zinc/26/97/01/1172269701.db2.gz PGDURGCOLHUEBJ-KKUMJFAQSA-N 2 2 253.434 1.955 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366478842 391324997 /nfs/dbraw/zinc/32/49/97/391324997.db2.gz FOCGFGFSSJUXRQ-HOCLYGCPSA-N 2 2 292.427 1.022 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366478842 391324998 /nfs/dbraw/zinc/32/49/98/391324998.db2.gz FOCGFGFSSJUXRQ-HOCLYGCPSA-N 2 2 292.427 1.022 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366478842 391325000 /nfs/dbraw/zinc/32/50/00/391325000.db2.gz FOCGFGFSSJUXRQ-HOCLYGCPSA-N 2 2 292.427 1.022 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366478842 391325002 /nfs/dbraw/zinc/32/50/02/391325002.db2.gz FOCGFGFSSJUXRQ-HOCLYGCPSA-N 2 2 292.427 1.022 10 30 CDEELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000329921492 391799629 /nfs/dbraw/zinc/79/96/29/391799629.db2.gz FUSJHWKWPOPPOV-GFCCVEGCSA-N 2 2 296.415 1.478 10 30 CDEELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000329921492 391799631 /nfs/dbraw/zinc/79/96/31/391799631.db2.gz FUSJHWKWPOPPOV-GFCCVEGCSA-N 2 2 296.415 1.478 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001665738619 1173049604 /nfs/dbraw/zinc/04/96/04/1173049604.db2.gz WXVKCEUJVRSZPO-ZDUSSCGKSA-N 2 2 276.384 1.369 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001665738619 1173049610 /nfs/dbraw/zinc/04/96/10/1173049610.db2.gz WXVKCEUJVRSZPO-ZDUSSCGKSA-N 2 2 276.384 1.369 10 30 CDEELP CC(C)N[C@](C)(C#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045179578 175324193 /nfs/dbraw/zinc/32/41/93/175324193.db2.gz XXVQIAHLGMFGSE-HNNXBMFYSA-N 2 2 266.433 1.683 10 30 CDEELP CC(C)N[C@](C)(C#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045179578 175324194 /nfs/dbraw/zinc/32/41/94/175324194.db2.gz XXVQIAHLGMFGSE-HNNXBMFYSA-N 2 2 266.433 1.683 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267153557 1159140493 /nfs/dbraw/zinc/14/04/93/1159140493.db2.gz LJUHERUUMYFOKF-GFCCVEGCSA-N 2 2 278.400 1.711 10 30 CDEELP CC[NH+]=C(NCC1CCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262500382 330018078 /nfs/dbraw/zinc/01/80/78/330018078.db2.gz YCGJZYNTSJAHKO-OAHLLOKOSA-N 2 2 294.443 1.159 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001482544573 1160373206 /nfs/dbraw/zinc/37/32/06/1160373206.db2.gz AQUFRMQKEHJNOC-CQSZACIVSA-N 2 2 290.411 1.106 10 30 CDEELP CC[NH2+][C@](C#N)(CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069079235 520223515 /nfs/dbraw/zinc/22/35/15/520223515.db2.gz IDXUSZXCUULXLQ-MRXNPFEDSA-N 2 2 280.460 1.788 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001691686675 1161561320 /nfs/dbraw/zinc/56/13/20/1161561320.db2.gz MPNWDKHUHKVENP-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2C#N)C1 ZINC000061658663 519686395 /nfs/dbraw/zinc/68/63/95/519686395.db2.gz ORAWWBVLFXFAHF-ZDUSSCGKSA-N 2 2 258.369 1.773 10 30 CDEELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccnc2C#N)C1 ZINC000061658663 519686398 /nfs/dbraw/zinc/68/63/98/519686398.db2.gz ORAWWBVLFXFAHF-ZDUSSCGKSA-N 2 2 258.369 1.773 10 30 CDEELP CC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000068615118 520225731 /nfs/dbraw/zinc/22/57/31/520225731.db2.gz SQCVQMIWDGCZDU-CVEARBPZSA-N 2 2 280.460 1.930 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081108 522511849 /nfs/dbraw/zinc/51/18/49/522511849.db2.gz NAVDUNVVRRJUJC-HNNXBMFYSA-N 2 2 266.433 1.542 10 30 CDEELP CC[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609362 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CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001275613105 931907549 /nfs/dbraw/zinc/90/75/49/931907549.db2.gz CGFHZOLAMAEHNK-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276976328 941762609 /nfs/dbraw/zinc/76/26/09/941762609.db2.gz AUQWDCDNAWURCR-HZPDHXFCSA-N 2 2 285.391 1.113 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276976328 941762614 /nfs/dbraw/zinc/76/26/14/941762614.db2.gz AUQWDCDNAWURCR-HZPDHXFCSA-N 2 2 285.391 1.113 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001282065502 942652649 /nfs/dbraw/zinc/65/26/49/942652649.db2.gz LLWVMGXKEHXFOH-UHFFFAOYSA-N 2 2 262.357 1.013 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001278392162 947521642 /nfs/dbraw/zinc/52/16/42/947521642.db2.gz SKGQCJSGCIJCSE-UONOGXRCSA-N 2 2 276.384 1.428 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279039197 948631348 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CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001329086080 955678012 /nfs/dbraw/zinc/67/80/12/955678012.db2.gz MVRWGCHJSNQEDO-OLZOCXBDSA-N 2 2 284.363 1.454 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001330673863 956559047 /nfs/dbraw/zinc/55/90/47/956559047.db2.gz KDGQGYAFJDXWEM-HAQNSBGRSA-N 2 2 262.357 1.013 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001331652051 957186852 /nfs/dbraw/zinc/18/68/52/957186852.db2.gz YRTJVVNNCJPFRK-KGLIPLIRSA-N 2 2 278.400 1.674 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001331943565 957352092 /nfs/dbraw/zinc/35/20/92/957352092.db2.gz JGRYORDOQWTUGL-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001318171645 957955932 /nfs/dbraw/zinc/95/59/32/957955932.db2.gz SSFGRSRBGRPSOF-UHFFFAOYSA-N 2 2 290.411 1.367 10 30 CDEELP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001318538901 958160591 /nfs/dbraw/zinc/16/05/91/958160591.db2.gz XBHAYLBYLBQETF-LSDHHAIUSA-N 2 2 290.411 1.588 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319114160 958380093 /nfs/dbraw/zinc/38/00/93/958380093.db2.gz UCCJVHFGPUCCJG-CYBMUJFWSA-N 2 2 262.357 1.109 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001319637435 958669490 /nfs/dbraw/zinc/66/94/90/958669490.db2.gz WRBNSMGFZVCFNA-AWEZNQCLSA-N 2 2 290.411 1.106 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001320019029 958870778 /nfs/dbraw/zinc/87/07/78/958870778.db2.gz ZTINGWPMSUPLAS-UHFFFAOYSA-N 2 2 286.379 1.914 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001320019029 958870804 /nfs/dbraw/zinc/87/08/04/958870804.db2.gz ZTINGWPMSUPLAS-UHFFFAOYSA-N 2 2 286.379 1.914 10 30 CDEELP C#CC[NH2+]C/C=C/CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001321064743 959567329 /nfs/dbraw/zinc/56/73/29/959567329.db2.gz OPMCZHGSZMOFAH-SNAWJCMRSA-N 2 2 282.347 1.152 10 30 CDEELP C=CCC[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335644546 959950074 /nfs/dbraw/zinc/95/00/74/959950074.db2.gz CDTUCFJLCCONSI-HNNXBMFYSA-N 2 2 294.443 1.550 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001499304105 974232013 /nfs/dbraw/zinc/23/20/13/974232013.db2.gz BCCBVVWLBUBNKJ-UHFFFAOYSA-N 2 2 294.358 1.358 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001500114242 974377014 /nfs/dbraw/zinc/37/70/14/974377014.db2.gz CTQDGAYHRLGELT-HNNXBMFYSA-N 2 2 290.411 1.793 10 30 CDEELP CC#CC[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001501643794 974616523 /nfs/dbraw/zinc/61/65/23/974616523.db2.gz DKVHBQNSBCOYJW-AWEZNQCLSA-N 2 2 288.395 1.112 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001505631347 974943625 /nfs/dbraw/zinc/94/36/25/974943625.db2.gz BCGZDEYBTRGWPY-OLZOCXBDSA-N 2 2 289.379 1.139 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001403598113 977092566 /nfs/dbraw/zinc/09/25/66/977092566.db2.gz YKUMEWDWXDTIFS-ZDUSSCGKSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001403598113 977092575 /nfs/dbraw/zinc/09/25/75/977092575.db2.gz YKUMEWDWXDTIFS-ZDUSSCGKSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001403598113 977092583 /nfs/dbraw/zinc/09/25/83/977092583.db2.gz YKUMEWDWXDTIFS-ZDUSSCGKSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001403598113 977092591 /nfs/dbraw/zinc/09/25/91/977092591.db2.gz YKUMEWDWXDTIFS-ZDUSSCGKSA-N 2 2 287.835 1.661 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392685450 977547640 /nfs/dbraw/zinc/54/76/40/977547640.db2.gz MHNDKTJJJJMZAJ-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001392685450 977547644 /nfs/dbraw/zinc/54/76/44/977547644.db2.gz MHNDKTJJJJMZAJ-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392685450 977547648 /nfs/dbraw/zinc/54/76/48/977547648.db2.gz MHNDKTJJJJMZAJ-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392685450 977547650 /nfs/dbraw/zinc/54/76/50/977547650.db2.gz MHNDKTJJJJMZAJ-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=CC[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001677367911 1174354292 /nfs/dbraw/zinc/35/42/92/1174354292.db2.gz QQUZYGGANRIYPX-LBPRGKRZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[NH2+][C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001570781635 1170279396 /nfs/dbraw/zinc/27/93/96/1170279396.db2.gz VFQLPUDMRHVSAI-CYBMUJFWSA-N 2 2 278.400 1.601 10 30 CDEELP N#Cc1cnccc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000592494423 342696722 /nfs/dbraw/zinc/69/67/22/342696722.db2.gz VHJYSFMKWBKNEE-HNNXBMFYSA-N 2 2 258.369 1.950 10 30 CDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CC ZINC000228600738 361917886 /nfs/dbraw/zinc/91/78/86/361917886.db2.gz MIDFWDIPCXBUQT-DCAQKATOSA-N 2 2 259.191 1.825 10 30 CDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CC ZINC000228600738 361917887 /nfs/dbraw/zinc/91/78/87/361917887.db2.gz MIDFWDIPCXBUQT-DCAQKATOSA-N 2 2 259.191 1.825 10 30 CDEELP CC(C)[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)NC1CC1 ZINC000072283275 356735003 /nfs/dbraw/zinc/73/50/03/356735003.db2.gz KOUFHYXRIABTEC-UHFFFAOYSA-N 2 2 282.432 1.203 10 30 CDEELP C[C@@H](CCC#N)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727034 367956646 /nfs/dbraw/zinc/95/66/46/367956646.db2.gz OXJZETQLSPSKSP-AWEZNQCLSA-N 2 2 265.401 1.865 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001661482657 1172397505 /nfs/dbraw/zinc/39/75/05/1172397505.db2.gz UIOIUQDUXXHUDV-IJLUTSLNSA-N 2 2 262.357 1.011 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001661482657 1172397512 /nfs/dbraw/zinc/39/75/12/1172397512.db2.gz UIOIUQDUXXHUDV-IJLUTSLNSA-N 2 2 262.357 1.011 10 30 CDEELP C=CCN1CC[C@@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000639983345 373895560 /nfs/dbraw/zinc/89/55/60/373895560.db2.gz DZTPLSCEHLHQNM-OAHLLOKOSA-N 2 2 291.439 1.724 10 30 CDEELP C[NH+](C)CC(C)(C)C[NH2+]Cc1nc(C#N)cs1 ZINC000352854685 374363964 /nfs/dbraw/zinc/36/39/64/374363964.db2.gz RJIPFNLRBIPMLI-UHFFFAOYSA-N 2 2 252.387 1.692 10 30 CDEELP COc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)ccc1C#N ZINC000419754181 392895875 /nfs/dbraw/zinc/89/58/75/392895875.db2.gz ZLYVPTAIGHNBBK-UHFFFAOYSA-N 2 2 299.378 1.656 10 30 CDEELP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1C#N ZINC000423126631 392958536 /nfs/dbraw/zinc/95/85/36/392958536.db2.gz SAMJOEFRFNAGHD-SMDDNHRTSA-N 2 2 259.353 1.797 10 30 CDEELP C=CC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000662685697 413310560 /nfs/dbraw/zinc/31/05/60/413310560.db2.gz GOFWQEOPCGXXGQ-JSGCOSHPSA-N 2 2 262.357 1.086 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665663837 1173034324 /nfs/dbraw/zinc/03/43/24/1173034324.db2.gz FOZRBQGZYGPEDE-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665663837 1173034328 /nfs/dbraw/zinc/03/43/28/1173034328.db2.gz FOZRBQGZYGPEDE-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001665803746 1173063317 /nfs/dbraw/zinc/06/33/17/1173063317.db2.gz BPMKIZLMOKBBLM-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001665803746 1173063323 /nfs/dbraw/zinc/06/33/23/1173063323.db2.gz BPMKIZLMOKBBLM-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001665803669 1173063757 /nfs/dbraw/zinc/06/37/57/1173063757.db2.gz AYULZDQDUWHMRD-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001665803669 1173063759 /nfs/dbraw/zinc/06/37/59/1173063759.db2.gz AYULZDQDUWHMRD-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[N@@H+]1CCOC[C@@H]1C ZINC000045310408 175356799 /nfs/dbraw/zinc/35/67/99/175356799.db2.gz AKYTUCGJBOCWJY-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[N@H+]1CCOC[C@@H]1C ZINC000045310408 175356800 /nfs/dbraw/zinc/35/68/00/175356800.db2.gz AKYTUCGJBOCWJY-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001666026732 1173102242 /nfs/dbraw/zinc/10/22/42/1173102242.db2.gz PMNGAVRWRMJTCV-LRDDRELGSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001666026732 1173102248 /nfs/dbraw/zinc/10/22/48/1173102248.db2.gz PMNGAVRWRMJTCV-LRDDRELGSA-N 2 2 290.411 1.649 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001667351704 1173257895 /nfs/dbraw/zinc/25/78/95/1173257895.db2.gz GVESTKAXIFNQFF-TZMCWYRMSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001668229690 1173385920 /nfs/dbraw/zinc/38/59/20/1173385920.db2.gz RKKIEJASLCCVFN-KBPBESRZSA-N 2 2 278.400 1.895 10 30 CDEELP C[NH+](C)CCC[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000568682285 294082948 /nfs/dbraw/zinc/08/29/48/294082948.db2.gz RYVSORGGKCLDJX-UHFFFAOYSA-N 2 2 271.368 1.589 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000568682285 294082950 /nfs/dbraw/zinc/08/29/50/294082950.db2.gz RYVSORGGKCLDJX-UHFFFAOYSA-N 2 2 271.368 1.589 10 30 CDEELP CN(CCC[NH+](C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000568682285 294082953 /nfs/dbraw/zinc/08/29/53/294082953.db2.gz RYVSORGGKCLDJX-UHFFFAOYSA-N 2 2 271.368 1.589 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001673917740 1173896173 /nfs/dbraw/zinc/89/61/73/1173896173.db2.gz QECNXSRTJBLYIQ-STQMWFEESA-N 2 2 290.411 1.700 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001699472632 1176432895 /nfs/dbraw/zinc/43/28/95/1176432895.db2.gz WACZHBQJQYIFDF-NSHDSACASA-N 2 2 264.373 1.273 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001699472632 1176432899 /nfs/dbraw/zinc/43/28/99/1176432899.db2.gz WACZHBQJQYIFDF-NSHDSACASA-N 2 2 264.373 1.273 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001725510480 1182030221 /nfs/dbraw/zinc/03/02/21/1182030221.db2.gz RVUCBCFOPYNYHH-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001725510480 1182030226 /nfs/dbraw/zinc/03/02/26/1182030226.db2.gz RVUCBCFOPYNYHH-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP CC(C)N[C@H](C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000062434958 519737934 /nfs/dbraw/zinc/73/79/34/519737934.db2.gz NRXCBHPSBGXDBF-ZDUSSCGKSA-N 2 2 252.406 1.293 10 30 CDEELP N#Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000068757578 526549377 /nfs/dbraw/zinc/54/93/77/526549377.db2.gz VPUSLNITJJOHRJ-HOCLYGCPSA-N 2 2 270.380 1.917 10 30 CDEELP N#Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000068757578 526549382 /nfs/dbraw/zinc/54/93/82/526549382.db2.gz VPUSLNITJJOHRJ-HOCLYGCPSA-N 2 2 270.380 1.917 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901000058 623815912 /nfs/dbraw/zinc/81/59/12/623815912.db2.gz JBXSHRQMDGXDLD-UHFFFAOYSA-N 2 2 250.346 1.151 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482308913 1160128259 /nfs/dbraw/zinc/12/82/59/1160128259.db2.gz PEWWIAXBQLSOHS-ZDUSSCGKSA-N 2 2 286.379 1.961 10 30 CDEELP C#CCC[NH2+]CCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482924561 1160646089 /nfs/dbraw/zinc/64/60/89/1160646089.db2.gz QOLGRPKOUSJMBY-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568645845 1169411961 /nfs/dbraw/zinc/41/19/61/1169411961.db2.gz LRAQCABBPUUIPJ-NSHDSACASA-N 2 2 272.352 1.847 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001569020994 1169598771 /nfs/dbraw/zinc/59/87/71/1169598771.db2.gz ORBHPAJSLBEEMV-CHWSQXEVSA-N 2 2 264.373 1.505 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001569378568 1169828086 /nfs/dbraw/zinc/82/80/86/1169828086.db2.gz VBDOTWGSIRCTEB-OAHLLOKOSA-N 2 2 290.411 1.738 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001569378568 1169828097 /nfs/dbraw/zinc/82/80/97/1169828097.db2.gz VBDOTWGSIRCTEB-OAHLLOKOSA-N 2 2 290.411 1.738 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001661960143 1172470760 /nfs/dbraw/zinc/47/07/60/1172470760.db2.gz ZRRIBYGQTOHQFR-CQSZACIVSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669887270 1173624616 /nfs/dbraw/zinc/62/46/16/1173624616.db2.gz DPDJYMCGFNKGNY-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669887270 1173624619 /nfs/dbraw/zinc/62/46/19/1173624619.db2.gz DPDJYMCGFNKGNY-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001674612305 1173968721 /nfs/dbraw/zinc/96/87/21/1173968721.db2.gz RGRFICWGUNDFOV-WLYUNCDWSA-N 2 2 290.411 1.722 10 30 CDEELP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001675759355 1174145818 /nfs/dbraw/zinc/14/58/18/1174145818.db2.gz JCGVUVWIILEFDZ-MQMHXKEQSA-N 2 2 296.374 1.684 10 30 CDEELP C=CCC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001692339986 1175740856 /nfs/dbraw/zinc/74/08/56/1175740856.db2.gz GUPJBQKVQRKUHN-GFCCVEGCSA-N 2 2 276.384 1.212 10 30 CDEELP C=CCC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001692339986 1175740858 /nfs/dbraw/zinc/74/08/58/1175740858.db2.gz GUPJBQKVQRKUHN-GFCCVEGCSA-N 2 2 276.384 1.212 10 30 CDEELP C#CC[NH2+]C[C@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001698645730 1175885382 /nfs/dbraw/zinc/88/53/82/1175885382.db2.gz FMTZSBAANZTFOT-KRWDZBQOSA-N 2 2 296.374 1.456 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001699584125 1176484929 /nfs/dbraw/zinc/48/49/29/1176484929.db2.gz REVLAADMOISSBK-CYBMUJFWSA-N 2 2 284.363 1.618 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001699741183 1176599344 /nfs/dbraw/zinc/59/93/44/1176599344.db2.gz SYALZWGDUVWMNF-KBPBESRZSA-N 2 2 290.411 1.888 10 30 CDEELP C#CC[NH2+][C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001700325326 1176853506 /nfs/dbraw/zinc/85/35/06/1176853506.db2.gz MHVUYZUKYXAGNA-LBPRGKRZSA-N 2 2 270.336 1.066 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001700714145 1177088777 /nfs/dbraw/zinc/08/87/77/1177088777.db2.gz RCRZUNBCUUWARA-HUUCEWRRSA-N 2 2 290.411 1.588 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713275060 1178462667 /nfs/dbraw/zinc/46/26/67/1178462667.db2.gz DNSMISGWOPIGNH-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713275060 1178462672 /nfs/dbraw/zinc/46/26/72/1178462672.db2.gz DNSMISGWOPIGNH-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713275060 1178462676 /nfs/dbraw/zinc/46/26/76/1178462676.db2.gz DNSMISGWOPIGNH-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713275060 1178462680 /nfs/dbraw/zinc/46/26/80/1178462680.db2.gz DNSMISGWOPIGNH-UONOGXRCSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001713411000 1178544412 /nfs/dbraw/zinc/54/44/12/1178544412.db2.gz RVFAASQLISBHGM-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001713548050 1178639278 /nfs/dbraw/zinc/63/92/78/1178639278.db2.gz SHLWZLSCUOJNPD-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001713548050 1178639283 /nfs/dbraw/zinc/63/92/83/1178639283.db2.gz SHLWZLSCUOJNPD-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001713952996 1178883800 /nfs/dbraw/zinc/88/38/00/1178883800.db2.gz VCAZSDTYWQSPCX-IHRRRGAJSA-N 2 2 288.395 1.258 10 30 CDEELP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714114862 1178978882 /nfs/dbraw/zinc/97/88/82/1178978882.db2.gz ODBDWFVJFWRCAZ-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001714523137 1179181686 /nfs/dbraw/zinc/18/16/86/1179181686.db2.gz VPQNAQITRRGXKD-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001714523137 1179181689 /nfs/dbraw/zinc/18/16/89/1179181689.db2.gz VPQNAQITRRGXKD-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001714727260 1179361661 /nfs/dbraw/zinc/36/16/61/1179361661.db2.gz HPSYXHADWMHDLF-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C#CCC[NH+]1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714945695 1179471500 /nfs/dbraw/zinc/47/15/00/1179471500.db2.gz ASBFRQVBWLMPEF-UHFFFAOYSA-N 2 2 291.439 1.465 10 30 CDEELP C#CCC[NH+]1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714945695 1179471505 /nfs/dbraw/zinc/47/15/05/1179471505.db2.gz ASBFRQVBWLMPEF-UHFFFAOYSA-N 2 2 291.439 1.465 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001715153055 1179565527 /nfs/dbraw/zinc/56/55/27/1179565527.db2.gz BFPABBYTGHPHQJ-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C/C=C\Cl ZINC001715520472 1179696606 /nfs/dbraw/zinc/69/66/06/1179696606.db2.gz NUHDSFYQMHDBHI-QPBFKRLHSA-N 2 2 297.830 1.227 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C/C=C\Cl ZINC001715520472 1179696608 /nfs/dbraw/zinc/69/66/08/1179696608.db2.gz NUHDSFYQMHDBHI-QPBFKRLHSA-N 2 2 297.830 1.227 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C/C=C\Cl ZINC001715520472 1179696610 /nfs/dbraw/zinc/69/66/10/1179696610.db2.gz NUHDSFYQMHDBHI-QPBFKRLHSA-N 2 2 297.830 1.227 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C/C=C\Cl ZINC001715520472 1179696614 /nfs/dbraw/zinc/69/66/14/1179696614.db2.gz NUHDSFYQMHDBHI-QPBFKRLHSA-N 2 2 297.830 1.227 10 30 CDEELP CC#CC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001715624110 1179739370 /nfs/dbraw/zinc/73/93/70/1179739370.db2.gz QLJZIXPTHBAWBW-CQSZACIVSA-N 2 2 276.384 1.027 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C/Cl ZINC001716482724 1180244418 /nfs/dbraw/zinc/24/44/18/1180244418.db2.gz PGIXCGIGVIBLIP-RNUUNTDPSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C/C=C/Cl ZINC001716482724 1180244424 /nfs/dbraw/zinc/24/44/24/1180244424.db2.gz PGIXCGIGVIBLIP-RNUUNTDPSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C/Cl ZINC001716482724 1180244427 /nfs/dbraw/zinc/24/44/27/1180244427.db2.gz PGIXCGIGVIBLIP-RNUUNTDPSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C/Cl ZINC001716482724 1180244436 /nfs/dbraw/zinc/24/44/36/1180244436.db2.gz PGIXCGIGVIBLIP-RNUUNTDPSA-N 2 2 297.830 1.273 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001716581321 1180293363 /nfs/dbraw/zinc/29/33/63/1180293363.db2.gz ZRVYOCBCYIIAON-UHFFFAOYSA-N 2 2 284.791 1.451 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716664352 1180349798 /nfs/dbraw/zinc/34/97/98/1180349798.db2.gz QUCYJOAXTUKKJW-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716664352 1180349805 /nfs/dbraw/zinc/34/98/05/1180349805.db2.gz QUCYJOAXTUKKJW-LSDHHAIUSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001717106092 1180533054 /nfs/dbraw/zinc/53/30/54/1180533054.db2.gz IZYVUKNWAIPDHO-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717213196 1180578520 /nfs/dbraw/zinc/57/85/20/1180578520.db2.gz CPJOKFJOGNGTIT-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(C)C[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717213196 1180578526 /nfs/dbraw/zinc/57/85/26/1180578526.db2.gz CPJOKFJOGNGTIT-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP CC#CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001717284134 1180603468 /nfs/dbraw/zinc/60/34/68/1180603468.db2.gz QQAHLOTTXPUOGV-KGLIPLIRSA-N 2 2 296.374 1.408 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001717853991 1180894950 /nfs/dbraw/zinc/89/49/50/1180894950.db2.gz OBFNGHZIKCELKM-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001717853991 1180894958 /nfs/dbraw/zinc/89/49/58/1180894958.db2.gz OBFNGHZIKCELKM-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001717853991 1180894971 /nfs/dbraw/zinc/89/49/71/1180894971.db2.gz OBFNGHZIKCELKM-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001717853991 1180894981 /nfs/dbraw/zinc/89/49/81/1180894981.db2.gz OBFNGHZIKCELKM-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001717888182 1180913995 /nfs/dbraw/zinc/91/39/95/1180913995.db2.gz ZKXLAEBHVBUQMV-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP C=CCC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001725266663 1181945457 /nfs/dbraw/zinc/94/54/57/1181945457.db2.gz OKCFRUQJHUEWDY-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001725510474 1182029791 /nfs/dbraw/zinc/02/97/91/1182029791.db2.gz RVUCBCFOPYNYHH-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001725510474 1182029795 /nfs/dbraw/zinc/02/97/95/1182029795.db2.gz RVUCBCFOPYNYHH-NEPJUHHUSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001731408302 1182368287 /nfs/dbraw/zinc/36/82/87/1182368287.db2.gz YMAOJWGPBNCYPX-JSGCOSHPSA-N 2 2 276.384 1.505 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001731601620 1182473485 /nfs/dbraw/zinc/47/34/85/1182473485.db2.gz OQWIYWLUPVHZQF-LBPRGKRZSA-N 2 2 277.368 1.303 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001731624871 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299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001442553743 965113680 /nfs/dbraw/zinc/11/36/80/965113680.db2.gz RNGADLMKGIXQRS-KBPBESRZSA-N 2 2 299.846 1.804 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001498322561 973827471 /nfs/dbraw/zinc/82/74/71/973827471.db2.gz GYHYDSMKATXTFI-CHWSQXEVSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001498322561 973827479 /nfs/dbraw/zinc/82/74/79/973827479.db2.gz GYHYDSMKATXTFI-CHWSQXEVSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001501573958 974601456 /nfs/dbraw/zinc/60/14/56/974601456.db2.gz DNLKEVNAIGCPAS-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001501573958 974601457 /nfs/dbraw/zinc/60/14/57/974601457.db2.gz DNLKEVNAIGCPAS-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C#CCC[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502782416 974783824 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C[C@@]1(C#N)CC[NH+](CCOCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595839880 343172443 /nfs/dbraw/zinc/17/24/43/343172443.db2.gz JKCXKFFADWULAI-HOTGVXAUSA-N 2 2 290.411 1.474 10 30 CDEELP C[C@@]1(C#N)CC[NH+](CCOCC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595839880 343172445 /nfs/dbraw/zinc/17/24/45/343172445.db2.gz JKCXKFFADWULAI-HOTGVXAUSA-N 2 2 290.411 1.474 10 30 CDEELP CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000084291525 178844376 /nfs/dbraw/zinc/84/43/76/178844376.db2.gz QTZXXTIWVRHDGW-CABCVRRESA-N 2 2 266.433 1.684 10 30 CDEELP C[N@@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000610993440 346564321 /nfs/dbraw/zinc/56/43/21/346564321.db2.gz SKLCVWXLBCAICA-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C[N@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000610993440 346564326 /nfs/dbraw/zinc/56/43/26/346564326.db2.gz SKLCVWXLBCAICA-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1ccnc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000610993440 346564330 /nfs/dbraw/zinc/56/43/30/346564330.db2.gz SKLCVWXLBCAICA-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C[NH+](Cc1ccnc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000610993440 346564335 /nfs/dbraw/zinc/56/43/35/346564335.db2.gz SKLCVWXLBCAICA-CQSZACIVSA-N 2 2 258.369 1.727 10 30 CDEELP C#C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001660384534 1172206165 /nfs/dbraw/zinc/20/61/65/1172206165.db2.gz IFRYNFUQJDVPSP-UAGQMJEPSA-N 2 2 272.392 1.623 10 30 CDEELP C#C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001660384534 1172206158 /nfs/dbraw/zinc/20/61/58/1172206158.db2.gz IFRYNFUQJDVPSP-UAGQMJEPSA-N 2 2 272.392 1.623 10 30 CDEELP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c(C)[nH+]1 ZINC000127354280 358356813 /nfs/dbraw/zinc/35/68/13/358356813.db2.gz IMXXSLHXQOQTQS-GFCCVEGCSA-N 2 2 260.341 1.313 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887440 376779669 /nfs/dbraw/zinc/77/96/69/376779669.db2.gz RKNGSWJUVQTQME-GJZGRUSLSA-N 2 2 277.412 1.261 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887440 376779672 /nfs/dbraw/zinc/77/96/72/376779672.db2.gz RKNGSWJUVQTQME-GJZGRUSLSA-N 2 2 277.412 1.261 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000655938515 412956851 /nfs/dbraw/zinc/95/68/51/412956851.db2.gz WTPVKYGWEADRTQ-AEGPPILISA-N 2 2 275.400 1.413 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000655938515 412956856 /nfs/dbraw/zinc/95/68/56/412956856.db2.gz WTPVKYGWEADRTQ-AEGPPILISA-N 2 2 275.400 1.413 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001662934442 1172617617 /nfs/dbraw/zinc/61/76/17/1172617617.db2.gz FZFKCFPQDHEOAS-GFCCVEGCSA-N 2 2 277.368 1.303 10 30 CDEELP C[C@H]1CN(c2ncccc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000362327341 390831245 /nfs/dbraw/zinc/83/12/45/390831245.db2.gz QRQJUCFVDDFNIF-AWEZNQCLSA-N 2 2 299.422 1.558 10 30 CDEELP C[C@H]1CN(c2ncccc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000362327341 390831251 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Cn1cc[nH+]c1CC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000040639118 174363674 /nfs/dbraw/zinc/36/36/74/174363674.db2.gz AKRHIJABDUXDMM-UHFFFAOYSA-N 2 2 270.336 1.655 10 30 CDEELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000040672864 174371275 /nfs/dbraw/zinc/37/12/75/174371275.db2.gz JDJMADFQPSMEDY-CQSZACIVSA-N 2 2 259.353 1.773 10 30 CDEELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000040672864 174371276 /nfs/dbraw/zinc/37/12/76/174371276.db2.gz JDJMADFQPSMEDY-CQSZACIVSA-N 2 2 259.353 1.773 10 30 CDEELP C[NH+](C)CC1CC[NH+](C[C@](N)(C#N)c2ccccc2)CC1 ZINC000045182193 175325294 /nfs/dbraw/zinc/32/52/94/175325294.db2.gz YQVFFIATRAJINT-QGZVFWFLSA-N 2 2 286.423 1.638 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001666800576 1173186527 /nfs/dbraw/zinc/18/65/27/1173186527.db2.gz USFGEELXCKZAPS-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846977 267121934 /nfs/dbraw/zinc/12/19/34/267121934.db2.gz NZHBRVKTTVQBQF-RDJZCZTQSA-N 2 2 293.455 1.827 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846977 267121936 /nfs/dbraw/zinc/12/19/36/267121936.db2.gz NZHBRVKTTVQBQF-RDJZCZTQSA-N 2 2 293.455 1.827 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367846977 267121938 /nfs/dbraw/zinc/12/19/38/267121938.db2.gz NZHBRVKTTVQBQF-RDJZCZTQSA-N 2 2 293.455 1.827 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367846977 267121940 /nfs/dbraw/zinc/12/19/40/267121940.db2.gz NZHBRVKTTVQBQF-RDJZCZTQSA-N 2 2 293.455 1.827 10 30 CDEELP C=CCNC(=[NH2+])NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189386933 329380784 /nfs/dbraw/zinc/38/07/84/329380784.db2.gz FSRMVEHSJUDKTN-UHFFFAOYSA-N 2 2 292.814 1.788 10 30 CDEELP C=CCNC(=[NH2+])NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189386933 329380786 /nfs/dbraw/zinc/38/07/86/329380786.db2.gz FSRMVEHSJUDKTN-UHFFFAOYSA-N 2 2 292.814 1.788 10 30 CDEELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CC#N)cc1 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911131122 /nfs/dbraw/zinc/13/11/22/911131122.db2.gz VELRPISCKAIVIL-KGLIPLIRSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+][C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001491461367 936921180 /nfs/dbraw/zinc/92/11/80/936921180.db2.gz FKIVCYKGKDWMBV-SMDDNHRTSA-N 2 2 291.399 1.070 10 30 CDEELP C=CC[NH2+][C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001491461367 936921182 /nfs/dbraw/zinc/92/11/82/936921182.db2.gz FKIVCYKGKDWMBV-SMDDNHRTSA-N 2 2 291.399 1.070 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001273390325 926618302 /nfs/dbraw/zinc/61/83/02/926618302.db2.gz WEDBFIKQWHDHRY-UHFFFAOYSA-N 2 2 290.411 1.386 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001493029900 926763656 /nfs/dbraw/zinc/76/36/56/926763656.db2.gz LKXNUBWFFJUWHD-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001493029900 926763669 /nfs/dbraw/zinc/76/36/69/926763669.db2.gz LKXNUBWFFJUWHD-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP 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CDEELP C=CC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001277609603 943132439 /nfs/dbraw/zinc/13/24/39/943132439.db2.gz DZHRUNSABRDWNH-ZDUSSCGKSA-N 2 2 265.401 1.189 10 30 CDEELP C=CC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001277609603 943132441 /nfs/dbraw/zinc/13/24/41/943132441.db2.gz DZHRUNSABRDWNH-ZDUSSCGKSA-N 2 2 265.401 1.189 10 30 CDEELP C=CC[N@@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001284553676 943208563 /nfs/dbraw/zinc/20/85/63/943208563.db2.gz SLGDTPIVTPQCPL-UHFFFAOYSA-N 2 2 264.373 1.307 10 30 CDEELP C=CC[N@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001284553676 943208565 /nfs/dbraw/zinc/20/85/65/943208565.db2.gz SLGDTPIVTPQCPL-UHFFFAOYSA-N 2 2 264.373 1.307 10 30 CDEELP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265004265 944197230 /nfs/dbraw/zinc/19/72/30/944197230.db2.gz MHGFWLLLPIXQGN-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265004265 944197236 /nfs/dbraw/zinc/19/72/36/944197236.db2.gz 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C=C(C)C[N@H+](CCC)CCNC(=O)Cn1cc[nH+]c1 ZINC001317545133 957540672 /nfs/dbraw/zinc/54/06/72/957540672.db2.gz CTVKHBGLODLIST-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=C(C)C[N@@H+](CCC)CCNC(=O)Cn1cc[nH+]c1 ZINC001317545133 957540678 /nfs/dbraw/zinc/54/06/78/957540678.db2.gz CTVKHBGLODLIST-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001319792045 958730923 /nfs/dbraw/zinc/73/09/23/958730923.db2.gz WQCMJLKTLOMSAU-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322247701 960150707 /nfs/dbraw/zinc/15/07/07/960150707.db2.gz HOBMGNUVRPAFBV-BFHYXJOUSA-N 2 2 290.411 1.536 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322247701 960150722 /nfs/dbraw/zinc/15/07/22/960150722.db2.gz HOBMGNUVRPAFBV-BFHYXJOUSA-N 2 2 290.411 1.536 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001323342185 960662115 /nfs/dbraw/zinc/66/21/15/960662115.db2.gz 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N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3O)CC2)cc1 ZINC000424205233 246385718 /nfs/dbraw/zinc/38/57/18/246385718.db2.gz ULQMFBZPGQXEFX-IAGOWNOFSA-N 2 2 285.391 1.636 10 30 CDEELP C[N@H+]1C[C@@H]2C[NH+](Cc3cn4ccccc4c3C#N)C[C@@H]2C1 ZINC000193626719 375883779 /nfs/dbraw/zinc/88/37/79/375883779.db2.gz OOBLMLDZYYCBHE-OKILXGFUSA-N 2 2 280.375 1.804 10 30 CDEELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn4ccccc4c3C#N)C[C@@H]2C1 ZINC000193626719 375883787 /nfs/dbraw/zinc/88/37/87/375883787.db2.gz OOBLMLDZYYCBHE-OKILXGFUSA-N 2 2 280.375 1.804 10 30 CDEELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn4ccccc4c3C#N)C[C@@H]2C1 ZINC000193626719 375883793 /nfs/dbraw/zinc/88/37/93/375883793.db2.gz OOBLMLDZYYCBHE-OKILXGFUSA-N 2 2 280.375 1.804 10 30 CDEELP C[NH+]1C[C@@H]2C[N@H+](Cc3cn4ccccc4c3C#N)C[C@@H]2C1 ZINC000193626719 375883799 /nfs/dbraw/zinc/88/37/99/375883799.db2.gz OOBLMLDZYYCBHE-OKILXGFUSA-N 2 2 280.375 1.804 10 30 CDEELP C[C@H]1C[N@@H+](C2CC[NH+](CCCCC#N)CC2)CCO1 ZINC000069607437 376731591 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ZINC000045318849 175358718 /nfs/dbraw/zinc/35/87/18/175358718.db2.gz DJQMJNFQYOPVKB-GJZGRUSLSA-N 2 2 285.432 1.642 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)COC ZINC000045318849 175358719 /nfs/dbraw/zinc/35/87/19/175358719.db2.gz DJQMJNFQYOPVKB-GJZGRUSLSA-N 2 2 285.432 1.642 10 30 CDEELP CC(C)(C)[NH+]1CCN(CCC[C@](C)([NH3+])C#N)CC1 ZINC000045318421 175359340 /nfs/dbraw/zinc/35/93/40/175359340.db2.gz HHBRPEBILBTMBS-AWEZNQCLSA-N 2 2 252.406 1.424 10 30 CDEELP C[C@@]([NH3+])(C#N)CCCN1CC[NH+](CC2CC2)CC1 ZINC000045320719 175359464 /nfs/dbraw/zinc/35/94/64/175359464.db2.gz OVJWUZVAFPTRNJ-AWEZNQCLSA-N 2 2 250.390 1.035 10 30 CDEELP Cc1[nH+]cc(C[NH2+]CCOc2ccc(C#N)cc2)n1C ZINC000574465945 295005605 /nfs/dbraw/zinc/00/56/05/295005605.db2.gz PPKNRGRZBIACDX-UHFFFAOYSA-N 2 2 270.336 1.769 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001673997561 1173904327 /nfs/dbraw/zinc/90/43/27/1173904327.db2.gz VPAKPUCBLJAVER-UHFFFAOYSA-N 2 2 276.384 1.417 10 30 CDEELP 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C#CC[C@@H](COC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000863589688 929576016 /nfs/dbraw/zinc/57/60/16/929576016.db2.gz VAJNWGPNDIXIHL-IRXDYDNUSA-N 2 2 290.407 1.107 10 30 CDEELP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568553880 1169365480 /nfs/dbraw/zinc/36/54/80/1169365480.db2.gz CIKUOXFZPKGOQL-CQSZACIVSA-N 2 2 278.400 1.801 10 30 CDEELP C=CC[N@H+](C)CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568553880 1169365488 /nfs/dbraw/zinc/36/54/88/1169365488.db2.gz CIKUOXFZPKGOQL-CQSZACIVSA-N 2 2 278.400 1.801 10 30 CDEELP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001118135572 937594918 /nfs/dbraw/zinc/59/49/18/937594918.db2.gz JZXNXPWEOHTTTE-GFCCVEGCSA-N 2 2 275.356 1.137 10 30 CDEELP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001118135572 937594921 /nfs/dbraw/zinc/59/49/21/937594921.db2.gz JZXNXPWEOHTTTE-GFCCVEGCSA-N 2 2 275.356 1.137 10 30 CDEELP C#CC[N@@H+](C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001327297772 934258150 /nfs/dbraw/zinc/25/81/50/934258150.db2.gz BQBIXVZIRSAFGF-UHFFFAOYSA-N 2 2 276.384 1.077 10 30 CDEELP C#CC[N@H+](C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001327297772 934258160 /nfs/dbraw/zinc/25/81/60/934258160.db2.gz BQBIXVZIRSAFGF-UHFFFAOYSA-N 2 2 276.384 1.077 10 30 CDEELP C=C(C)C[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001279694873 942401543 /nfs/dbraw/zinc/40/15/43/942401543.db2.gz GFPOLLMLWCRNHW-UHFFFAOYSA-N 2 2 274.368 1.208 10 30 CDEELP C=C(C)C[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001279694873 942401547 /nfs/dbraw/zinc/40/15/47/942401547.db2.gz GFPOLLMLWCRNHW-UHFFFAOYSA-N 2 2 274.368 1.208 10 30 CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001282465234 942716972 /nfs/dbraw/zinc/71/69/72/942716972.db2.gz QHHWWDONBHBONI-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001282465234 942716976 /nfs/dbraw/zinc/71/69/76/942716976.db2.gz QHHWWDONBHBONI-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001282465234 942716980 /nfs/dbraw/zinc/71/69/80/942716980.db2.gz QHHWWDONBHBONI-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001282465234 942716983 /nfs/dbraw/zinc/71/69/83/942716983.db2.gz QHHWWDONBHBONI-VXGBXAGGSA-N 2 2 264.373 1.211 10 30 CDEELP C#CCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001277862696 943863939 /nfs/dbraw/zinc/86/39/39/943863939.db2.gz LFMASKFMXVBFKK-ZDUSSCGKSA-N 2 2 289.379 1.093 10 30 CDEELP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001264560416 944149172 /nfs/dbraw/zinc/14/91/72/944149172.db2.gz MUGIOAQGMJRSJL-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001278088515 944733214 /nfs/dbraw/zinc/73/32/14/944733214.db2.gz VOULXJLOHMIIJU-UHFFFAOYSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001266185886 944740746 /nfs/dbraw/zinc/74/07/46/944740746.db2.gz AAGMPFGMQFDOHR-CYBMUJFWSA-N 2 2 278.400 1.413 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480160449 971608324 /nfs/dbraw/zinc/60/83/24/971608324.db2.gz GXEIPDIWAZEPDF-IHRRRGAJSA-N 2 2 290.411 1.791 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480160449 971608329 /nfs/dbraw/zinc/60/83/29/971608329.db2.gz GXEIPDIWAZEPDF-IHRRRGAJSA-N 2 2 290.411 1.791 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480616254 971810316 /nfs/dbraw/zinc/81/03/16/971810316.db2.gz KJFWHRKOPPKZIQ-KBPBESRZSA-N 2 2 288.395 1.212 10 30 CDEELP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001324764559 953566732 /nfs/dbraw/zinc/56/67/32/953566732.db2.gz VIMGTYQXOBCVIV-MRXNPFEDSA-N 2 2 290.411 1.678 10 30 CDEELP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329034168 955640917 /nfs/dbraw/zinc/64/09/17/955640917.db2.gz JVFUFUKKDCWUPY-CHWSQXEVSA-N 2 2 284.363 1.372 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001366353495 956766500 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C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317142514 957298818 /nfs/dbraw/zinc/29/88/18/957298818.db2.gz FCAVSQCGLSNZEH-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317142514 957298825 /nfs/dbraw/zinc/29/88/25/957298825.db2.gz FCAVSQCGLSNZEH-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001317192777 957332947 /nfs/dbraw/zinc/33/29/47/957332947.db2.gz NQQINRDMTUHGSE-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001317192777 957332959 /nfs/dbraw/zinc/33/29/59/957332959.db2.gz NQQINRDMTUHGSE-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317256097 957383760 /nfs/dbraw/zinc/38/37/60/957383760.db2.gz NJCWDWPNIQHBAH-GFCCVEGCSA-N 2 2 261.369 1.901 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001569373357 1169820561 /nfs/dbraw/zinc/82/05/61/1169820561.db2.gz CLZOLAQHJZKTJK-CJNGLKHVSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001569373357 1169820564 /nfs/dbraw/zinc/82/05/64/1169820564.db2.gz CLZOLAQHJZKTJK-CJNGLKHVSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001569373357 1169820578 /nfs/dbraw/zinc/82/05/78/1169820578.db2.gz CLZOLAQHJZKTJK-CJNGLKHVSA-N 2 2 295.402 1.023 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001569373357 1169820597 /nfs/dbraw/zinc/82/05/97/1169820597.db2.gz CLZOLAQHJZKTJK-CJNGLKHVSA-N 2 2 295.402 1.023 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001440496357 964085630 /nfs/dbraw/zinc/08/56/30/964085630.db2.gz SQAJQUWFGMYYIK-OLZOCXBDSA-N 2 2 299.846 1.660 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001440496357 964085644 /nfs/dbraw/zinc/08/56/44/964085644.db2.gz SQAJQUWFGMYYIK-OLZOCXBDSA-N 2 2 299.846 1.660 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445773897 966331194 /nfs/dbraw/zinc/33/11/94/966331194.db2.gz VGMCDKPWKHQGOH-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445773897 966331203 /nfs/dbraw/zinc/33/12/03/966331203.db2.gz VGMCDKPWKHQGOH-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445773897 966331213 /nfs/dbraw/zinc/33/12/13/966331213.db2.gz VGMCDKPWKHQGOH-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445773897 966331221 /nfs/dbraw/zinc/33/12/21/966331221.db2.gz VGMCDKPWKHQGOH-CHWSQXEVSA-N 2 2 287.835 1.660 10 30 CDEELP C=CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3occc32)CC1 ZINC001357397137 969582418 /nfs/dbraw/zinc/58/24/18/969582418.db2.gz OLDSOTMNEZQFEH-HNNXBMFYSA-N 2 2 289.379 1.233 10 30 CDEELP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492676 972939785 /nfs/dbraw/zinc/93/97/85/972939785.db2.gz XKQYSDCQUGFUKB-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661361 974953442 /nfs/dbraw/zinc/95/34/42/974953442.db2.gz UJANSJSYFUTGMG-ZIAGYGMSSA-N 2 2 292.427 1.802 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001507287009 975398728 /nfs/dbraw/zinc/39/87/28/975398728.db2.gz UJIABULSWLKJKU-ZIAGYGMSSA-N 2 2 296.374 1.550 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001674667312 1173984466 /nfs/dbraw/zinc/98/44/66/1173984466.db2.gz QOYJDDNUCNUKNC-CHWSQXEVSA-N 2 2 290.411 1.431 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001570608741 1170209061 /nfs/dbraw/zinc/20/90/61/1170209061.db2.gz SDVPDMGVJBJAKM-CHWSQXEVSA-N 2 2 278.400 1.791 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001570608741 1170209066 /nfs/dbraw/zinc/20/90/66/1170209066.db2.gz SDVPDMGVJBJAKM-CHWSQXEVSA-N 2 2 278.400 1.791 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571545699 1170472492 /nfs/dbraw/zinc/47/24/92/1170472492.db2.gz FVJZKUMZVUWNBX-STQMWFEESA-N 2 2 276.384 1.403 10 30 CDEELP Cc1ccn2cc(CNC(=O)[C@@H]([NH3+])CCCCC#N)[nH+]c2c1 ZINC000594441050 342907400 /nfs/dbraw/zinc/90/74/00/342907400.db2.gz LRJXSOGYZCONDS-AWEZNQCLSA-N 2 2 299.378 1.670 10 30 CDEELP N#Cc1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594930365 342974582 /nfs/dbraw/zinc/97/45/82/342974582.db2.gz VMFLYFOCPZOMQJ-UHFFFAOYSA-N 2 2 282.347 1.870 10 30 CDEELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccnc(C#N)c1)C2 ZINC000595504050 343079584 /nfs/dbraw/zinc/07/95/84/343079584.db2.gz DJEYCQRNGKMANI-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccnc(C#N)c1)C2 ZINC000595504050 343079585 /nfs/dbraw/zinc/07/95/85/343079585.db2.gz DJEYCQRNGKMANI-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000595504050 343079586 /nfs/dbraw/zinc/07/95/86/343079586.db2.gz DJEYCQRNGKMANI-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000595504050 343079587 /nfs/dbraw/zinc/07/95/87/343079587.db2.gz DJEYCQRNGKMANI-INIZCTEOSA-N 2 2 270.380 1.871 10 30 CDEELP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620586 347675705 /nfs/dbraw/zinc/67/57/05/347675705.db2.gz UPZCHBQRRRESMY-KKUMJFAQSA-N 2 2 279.428 1.661 10 30 CDEELP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623620586 347675706 /nfs/dbraw/zinc/67/57/06/347675706.db2.gz UPZCHBQRRRESMY-KKUMJFAQSA-N 2 2 279.428 1.661 10 30 CDEELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492889 363594661 /nfs/dbraw/zinc/59/46/61/363594661.db2.gz WLFFJNMSGKMFAH-KRWDZBQOSA-N 2 2 295.390 1.734 10 30 CDEELP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492889 363594665 /nfs/dbraw/zinc/59/46/65/363594665.db2.gz WLFFJNMSGKMFAH-KRWDZBQOSA-N 2 2 295.390 1.734 10 30 CDEELP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492889 363594671 /nfs/dbraw/zinc/59/46/71/363594671.db2.gz WLFFJNMSGKMFAH-KRWDZBQOSA-N 2 2 295.390 1.734 10 30 CDEELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492889 363594678 /nfs/dbraw/zinc/59/46/78/363594678.db2.gz WLFFJNMSGKMFAH-KRWDZBQOSA-N 2 2 295.390 1.734 10 30 CDEELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000595905325 358651689 /nfs/dbraw/zinc/65/16/89/358651689.db2.gz BRSAXKSYJYRQHS-INIZCTEOSA-N 2 2 288.395 1.496 10 30 CDEELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000595905325 358651691 /nfs/dbraw/zinc/65/16/91/358651691.db2.gz BRSAXKSYJYRQHS-INIZCTEOSA-N 2 2 288.395 1.496 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580351 360889700 /nfs/dbraw/zinc/88/97/00/360889700.db2.gz FJQCDUSKBUWLES-QLFBSQMISA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580351 360889704 /nfs/dbraw/zinc/88/97/04/360889704.db2.gz FJQCDUSKBUWLES-QLFBSQMISA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580351 360889707 /nfs/dbraw/zinc/88/97/07/360889707.db2.gz FJQCDUSKBUWLES-QLFBSQMISA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580351 360889713 /nfs/dbraw/zinc/88/97/13/360889713.db2.gz FJQCDUSKBUWLES-QLFBSQMISA-N 2 2 294.443 1.409 10 30 CDEELP C=C(Cl)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136072862 378312962 /nfs/dbraw/zinc/31/29/62/378312962.db2.gz PGOUHTLQBWWMSE-AWEZNQCLSA-N 2 2 271.836 1.841 10 30 CDEELP C=C(C)C[N@H+](CCC)CCNC(=O)Cc1c[nH+]cn1C ZINC001663689211 1172745682 /nfs/dbraw/zinc/74/56/82/1172745682.db2.gz ZRBBXEKINLESLM-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=C(C)C[N@@H+](CCC)CCNC(=O)Cc1c[nH+]cn1C ZINC001663689211 1172745687 /nfs/dbraw/zinc/74/56/87/1172745687.db2.gz ZRBBXEKINLESLM-UHFFFAOYSA-N 2 2 278.400 1.367 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000040490879 174291964 /nfs/dbraw/zinc/29/19/64/174291964.db2.gz MNXAGBPGHSWTQG-UHFFFAOYSA-N 2 2 253.390 1.226 10 30 CDEELP CC[C@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683762 175092085 /nfs/dbraw/zinc/09/20/85/175092085.db2.gz GDKBBIGFPOYSLQ-LBPRGKRZSA-N 2 2 264.394 1.669 10 30 CDEELP CC[C@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683762 175092086 /nfs/dbraw/zinc/09/20/86/175092086.db2.gz GDKBBIGFPOYSLQ-LBPRGKRZSA-N 2 2 264.394 1.669 10 30 CDEELP [NH3+]CC#Cc1ccsc1C[NH+]1CCN(C2CC2)CC1 ZINC000043684045 175092177 /nfs/dbraw/zinc/09/21/77/175092177.db2.gz NGUQDAGZEHHFKT-UHFFFAOYSA-N 2 2 275.421 1.338 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](C)CCc1ccccn1 ZINC000045305993 175355450 /nfs/dbraw/zinc/35/54/50/175355450.db2.gz TWDIKUOXRQTOSP-HNNXBMFYSA-N 2 2 260.385 1.838 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](C)CCc1ccccn1 ZINC000045305993 175355452 /nfs/dbraw/zinc/35/54/52/175355452.db2.gz TWDIKUOXRQTOSP-HNNXBMFYSA-N 2 2 260.385 1.838 10 30 CDEELP CC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000068613726 520224446 /nfs/dbraw/zinc/22/44/46/520224446.db2.gz QRCBNKVWPGXYDL-ZBFHGGJFSA-N 2 2 278.444 1.684 10 30 CDEELP CC(C)(C)[NH+]1CCN(C[C@]([NH3+])(C#N)C2CC2)CC1 ZINC000069080479 518711458 /nfs/dbraw/zinc/71/14/58/518711458.db2.gz GADBYZZMNDICBD-CQSZACIVSA-N 2 2 250.390 1.034 10 30 CDEELP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000113328509 527104629 /nfs/dbraw/zinc/10/46/29/527104629.db2.gz KLSXZVGKTSRUKX-HNNXBMFYSA-N 2 2 258.365 1.882 10 30 CDEELP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000113328509 527104634 /nfs/dbraw/zinc/10/46/34/527104634.db2.gz KLSXZVGKTSRUKX-HNNXBMFYSA-N 2 2 258.365 1.882 10 30 CDEELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316981 617711765 /nfs/dbraw/zinc/71/17/65/617711765.db2.gz LTLPGGNRGQLLTD-HRCADAONSA-N 2 2 291.439 1.705 10 30 CDEELP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316981 617711767 /nfs/dbraw/zinc/71/17/67/617711767.db2.gz LTLPGGNRGQLLTD-HRCADAONSA-N 2 2 291.439 1.705 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316981 617711770 /nfs/dbraw/zinc/71/17/70/617711770.db2.gz LTLPGGNRGQLLTD-HRCADAONSA-N 2 2 291.439 1.705 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316981 617711773 /nfs/dbraw/zinc/71/17/73/617711773.db2.gz LTLPGGNRGQLLTD-HRCADAONSA-N 2 2 291.439 1.705 10 30 CDEELP N#Cc1ccc(N2CC[NH+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000923416292 618327174 /nfs/dbraw/zinc/32/71/74/618327174.db2.gz VIPUQNLSSPACQQ-UHFFFAOYSA-N 2 2 284.407 1.822 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001691025774 1158581698 /nfs/dbraw/zinc/58/16/98/1158581698.db2.gz GAFXGNBLVSHMRR-UHFFFAOYSA-N 2 2 278.400 1.551 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001691025774 1158581702 /nfs/dbraw/zinc/58/17/02/1158581702.db2.gz GAFXGNBLVSHMRR-UHFFFAOYSA-N 2 2 278.400 1.551 10 30 CDEELP C=C(C)CC[N@@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001691045088 1158706034 /nfs/dbraw/zinc/70/60/34/1158706034.db2.gz SLLUUUMVNAQUMA-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=C(C)CC[N@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001691045088 1158706031 /nfs/dbraw/zinc/70/60/31/1158706031.db2.gz SLLUUUMVNAQUMA-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001269988471 1160082315 /nfs/dbraw/zinc/08/23/15/1160082315.db2.gz AXCOGEJECOSFLI-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CC[NH2+]C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001270469370 1160110733 /nfs/dbraw/zinc/11/07/33/1160110733.db2.gz KHARRDZYQPFVSP-AWEZNQCLSA-N 2 2 296.374 1.461 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691671055 1161496643 /nfs/dbraw/zinc/49/66/43/1161496643.db2.gz YXNBGGMGFAIGHX-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691671055 1161496647 /nfs/dbraw/zinc/49/66/47/1161496647.db2.gz YXNBGGMGFAIGHX-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001565875531 1168193788 /nfs/dbraw/zinc/19/37/88/1168193788.db2.gz ASTZVACNKCUBHG-MGPQQGTHSA-N 2 2 290.411 1.791 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001677298481 1174345908 /nfs/dbraw/zinc/34/59/08/1174345908.db2.gz YTPDLGZVRFEHKA-CQSZACIVSA-N 2 2 290.411 1.106 10 30 CDEELP C=CC[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001698702405 1175897463 /nfs/dbraw/zinc/89/74/63/1175897463.db2.gz ZQWQCARBNMECFC-UHFFFAOYSA-N 2 2 276.384 1.357 10 30 CDEELP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001698922184 1175985142 /nfs/dbraw/zinc/98/51/42/1175985142.db2.gz WOMVOHAGOJOOSE-AWEZNQCLSA-N 2 2 288.395 1.336 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001698991952 1176021730 /nfs/dbraw/zinc/02/17/30/1176021730.db2.gz XUDWLSBNNGWEST-UHFFFAOYSA-N 2 2 291.395 1.599 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001698991952 1176021740 /nfs/dbraw/zinc/02/17/40/1176021740.db2.gz XUDWLSBNNGWEST-UHFFFAOYSA-N 2 2 291.395 1.599 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001699477127 1176436597 /nfs/dbraw/zinc/43/65/97/1176436597.db2.gz QCTOCBMISIWYNP-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001699477127 1176436600 /nfs/dbraw/zinc/43/66/00/1176436600.db2.gz QCTOCBMISIWYNP-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699931002 1176685746 /nfs/dbraw/zinc/68/57/46/1176685746.db2.gz BRLXKUBLPJGCSV-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001699931002 1176685751 /nfs/dbraw/zinc/68/57/51/1176685751.db2.gz BRLXKUBLPJGCSV-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001699983350 1176705165 /nfs/dbraw/zinc/70/51/65/1176705165.db2.gz CJQDSIYGMYHMCL-UHFFFAOYSA-N 2 2 298.390 1.757 10 30 CDEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700682909 1177073351 /nfs/dbraw/zinc/07/33/51/1177073351.db2.gz NRXHNXUJHWZCGE-BFHYXJOUSA-N 2 2 290.411 1.964 10 30 CDEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700682909 1177073357 /nfs/dbraw/zinc/07/33/57/1177073357.db2.gz NRXHNXUJHWZCGE-BFHYXJOUSA-N 2 2 290.411 1.964 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001700903528 1177189302 /nfs/dbraw/zinc/18/93/02/1177189302.db2.gz XBJHHBDSZVFRFA-GJZGRUSLSA-N 2 2 290.411 1.724 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700928886 1177196822 /nfs/dbraw/zinc/19/68/22/1177196822.db2.gz DFSDWUGKAKGSGK-QWHCGFSZSA-N 2 2 276.384 1.321 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001707076144 1177941084 /nfs/dbraw/zinc/94/10/84/1177941084.db2.gz IGCALBPVJJOEDH-OKILXGFUSA-N 2 2 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/nfs/dbraw/zinc/45/97/57/944459757.db2.gz MAJSBQKTNBDKMJ-LSDHHAIUSA-N 2 2 288.395 1.438 10 30 CDEELP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265654021 944459764 /nfs/dbraw/zinc/45/97/64/944459764.db2.gz MAJSBQKTNBDKMJ-LSDHHAIUSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480234246 971639938 /nfs/dbraw/zinc/63/99/38/971639938.db2.gz JTIBPPCOKRDXMU-OKILXGFUSA-N 2 2 290.411 1.556 10 30 CDEELP C=CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324655320 953500402 /nfs/dbraw/zinc/50/04/02/953500402.db2.gz ATYCOKNJUBTERA-UKRRQHHQSA-N 2 2 276.384 1.601 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001493257825 971998381 /nfs/dbraw/zinc/99/83/81/971998381.db2.gz XBHZDWSJUBJGOM-ZDUSSCGKSA-N 2 2 276.384 1.275 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001493257825 971998382 /nfs/dbraw/zinc/99/83/82/971998382.db2.gz XBHZDWSJUBJGOM-ZDUSSCGKSA-N 2 2 276.384 1.275 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001491755711 955406997 /nfs/dbraw/zinc/40/69/97/955406997.db2.gz HIZUWPQPOPVRGH-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001491755711 955407000 /nfs/dbraw/zinc/40/70/00/955407000.db2.gz HIZUWPQPOPVRGH-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001316710294 956762954 /nfs/dbraw/zinc/76/29/54/956762954.db2.gz XRJLNMHMKDXQEE-OCCSQVGLSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001317022718 957208586 /nfs/dbraw/zinc/20/85/86/957208586.db2.gz SKZLXPRIRDWZSC-CQSZACIVSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317323599 957422823 /nfs/dbraw/zinc/42/28/23/957422823.db2.gz SVMBWBQYFQHZDY-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317323599 957422826 /nfs/dbraw/zinc/42/28/26/957422826.db2.gz SVMBWBQYFQHZDY-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317432094 957468382 /nfs/dbraw/zinc/46/83/82/957468382.db2.gz NNFOVYASTOUBDU-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317432094 957468384 /nfs/dbraw/zinc/46/83/84/957468384.db2.gz NNFOVYASTOUBDU-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C/C=C\Cl ZINC001317479185 957501764 /nfs/dbraw/zinc/50/17/64/957501764.db2.gz CNBYSUSHWSAWRR-QPBFKRLHSA-N 2 2 297.830 1.275 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C/C=C\Cl ZINC001317479185 957501766 /nfs/dbraw/zinc/50/17/66/957501766.db2.gz CNBYSUSHWSAWRR-QPBFKRLHSA-N 2 2 297.830 1.275 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C/C=C\Cl ZINC001317479185 957501771 /nfs/dbraw/zinc/50/17/71/957501771.db2.gz CNBYSUSHWSAWRR-QPBFKRLHSA-N 2 2 297.830 1.275 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C/C=C\Cl ZINC001317479185 957501773 /nfs/dbraw/zinc/50/17/73/957501773.db2.gz CNBYSUSHWSAWRR-QPBFKRLHSA-N 2 2 297.830 1.275 10 30 CDEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001317682335 957638165 /nfs/dbraw/zinc/63/81/65/957638165.db2.gz TYWNIVWOONNZTE-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494738362 972299902 /nfs/dbraw/zinc/29/99/02/972299902.db2.gz UNWNJZBLKQAFTH-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494738362 972299907 /nfs/dbraw/zinc/29/99/07/972299907.db2.gz UNWNJZBLKQAFTH-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494738362 972299910 /nfs/dbraw/zinc/29/99/10/972299910.db2.gz UNWNJZBLKQAFTH-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494738362 972299915 /nfs/dbraw/zinc/29/99/15/972299915.db2.gz UNWNJZBLKQAFTH-KRWDZBQOSA-N 2 2 299.418 1.332 10 30 CDEELP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001318535544 958162405 /nfs/dbraw/zinc/16/24/05/958162405.db2.gz BYLHZACZLXNEMI-YNEHKIRRSA-N 2 2 274.368 1.021 10 30 CDEELP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001318535544 958162414 /nfs/dbraw/zinc/16/24/14/958162414.db2.gz BYLHZACZLXNEMI-YNEHKIRRSA-N 2 2 274.368 1.021 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001319923153 958793016 /nfs/dbraw/zinc/79/30/16/958793016.db2.gz YGMBNGYIAXRFCC-AWEZNQCLSA-N 2 2 290.411 1.290 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320147245 958966645 /nfs/dbraw/zinc/96/66/45/958966645.db2.gz OUTSOJAARLOVEO-GXTWGEPZSA-N 2 2 296.374 1.684 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001323022652 960410316 /nfs/dbraw/zinc/41/03/16/960410316.db2.gz QKHSJZARAHCOHZ-UONOGXRCSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001448559807 967152949 /nfs/dbraw/zinc/15/29/49/967152949.db2.gz AZNCLSYJOGENRQ-CYBMUJFWSA-N 2 2 298.818 1.756 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC001544084873 967337723 /nfs/dbraw/zinc/33/77/23/967337723.db2.gz WGMZBECEQWCJEN-AWEZNQCLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001544084873 967337729 /nfs/dbraw/zinc/33/77/29/967337729.db2.gz WGMZBECEQWCJEN-AWEZNQCLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC001544084873 967337734 /nfs/dbraw/zinc/33/77/34/967337734.db2.gz WGMZBECEQWCJEN-AWEZNQCLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC001544084873 967337744 /nfs/dbraw/zinc/33/77/44/967337744.db2.gz WGMZBECEQWCJEN-AWEZNQCLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001569648791 1169954291 /nfs/dbraw/zinc/95/42/91/1169954291.db2.gz YYPPHDGWLHPCBD-DZGCQCFKSA-N 2 2 274.368 1.048 10 30 CDEELP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001569648791 1169954299 /nfs/dbraw/zinc/95/42/99/1169954299.db2.gz YYPPHDGWLHPCBD-DZGCQCFKSA-N 2 2 274.368 1.048 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001496583297 972977720 /nfs/dbraw/zinc/97/77/20/972977720.db2.gz MTUYOUUFJBJRQX-CYBMUJFWSA-N 2 2 284.363 1.312 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001496796922 973102009 /nfs/dbraw/zinc/10/20/09/973102009.db2.gz PBQABHOWTIOBNY-LBPRGKRZSA-N 2 2 264.373 1.165 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001496796922 973102012 /nfs/dbraw/zinc/10/20/12/973102012.db2.gz PBQABHOWTIOBNY-LBPRGKRZSA-N 2 2 264.373 1.165 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502125788 974701270 /nfs/dbraw/zinc/70/12/70/974701270.db2.gz KNUOSHLLXGSAHQ-ZDUSSCGKSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502125788 974701276 /nfs/dbraw/zinc/70/12/76/974701276.db2.gz KNUOSHLLXGSAHQ-ZDUSSCGKSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502125788 974701281 /nfs/dbraw/zinc/70/12/81/974701281.db2.gz KNUOSHLLXGSAHQ-ZDUSSCGKSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502125788 974701284 /nfs/dbraw/zinc/70/12/84/974701284.db2.gz KNUOSHLLXGSAHQ-ZDUSSCGKSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001507419170 975462719 /nfs/dbraw/zinc/46/27/19/975462719.db2.gz OWSCDSNYAYBTAN-KGLIPLIRSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001508068935 975599160 /nfs/dbraw/zinc/59/91/60/975599160.db2.gz RNKNTNNZZFOAOV-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001406732547 976386119 /nfs/dbraw/zinc/38/61/19/976386119.db2.gz YSGUHRYSXCKZCD-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001406732547 976386131 /nfs/dbraw/zinc/38/61/31/976386131.db2.gz YSGUHRYSXCKZCD-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001406732547 976386134 /nfs/dbraw/zinc/38/61/34/976386134.db2.gz YSGUHRYSXCKZCD-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001406732547 976386147 /nfs/dbraw/zinc/38/61/47/976386147.db2.gz YSGUHRYSXCKZCD-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571545696 1170472242 /nfs/dbraw/zinc/47/22/42/1170472242.db2.gz FVJZKUMZVUWNBX-CHWSQXEVSA-N 2 2 276.384 1.403 10 30 CDEELP N#Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000592485651 342695799 /nfs/dbraw/zinc/69/57/99/342695799.db2.gz VCPFUIAZRNPEOL-AEGPPILISA-N 2 2 256.353 1.512 10 30 CDEELP N#Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000592485651 342695801 /nfs/dbraw/zinc/69/58/01/342695801.db2.gz VCPFUIAZRNPEOL-AEGPPILISA-N 2 2 256.353 1.512 10 30 CDEELP CC1([NH+]2CCOCC2)CC[NH+](CCCSCC#N)CC1 ZINC000599623767 344097821 /nfs/dbraw/zinc/09/78/21/344097821.db2.gz WVPCZEAAUBTAAW-UHFFFAOYSA-N 2 2 297.468 1.820 10 30 CDEELP CCC1([NH+]2CCOCC2)CC[NH+](CCCC#N)CC1 ZINC000599670448 344126379 /nfs/dbraw/zinc/12/63/79/344126379.db2.gz WBWKSWHTMZYZRK-UHFFFAOYSA-N 2 2 265.401 1.867 10 30 CDEELP N#C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964631 344297902 /nfs/dbraw/zinc/29/79/02/344297902.db2.gz JQJXBNNGNQLUOO-RCCFBDPRSA-N 2 2 299.418 1.905 10 30 CDEELP C=C(C)[C@H](CO)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739813 482539999 /nfs/dbraw/zinc/53/99/99/482539999.db2.gz ALLBHEHTXUEUSC-HNNXBMFYSA-N 2 2 266.385 1.970 10 30 CDEELP C=C(C)[C@H](CO)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000671739813 482540008 /nfs/dbraw/zinc/54/00/08/482540008.db2.gz ALLBHEHTXUEUSC-HNNXBMFYSA-N 2 2 266.385 1.970 10 30 CDEELP C=C(C)[C@H](CO)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739813 482540012 /nfs/dbraw/zinc/54/00/12/482540012.db2.gz ALLBHEHTXUEUSC-HNNXBMFYSA-N 2 2 266.385 1.970 10 30 CDEELP C=C(C)[C@H](CO)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739813 482540017 /nfs/dbraw/zinc/54/00/17/482540017.db2.gz ALLBHEHTXUEUSC-HNNXBMFYSA-N 2 2 266.385 1.970 10 30 CDEELP N#CC1(C[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000528396647 361393667 /nfs/dbraw/zinc/39/36/67/361393667.db2.gz OTZZPBJEPDMMNE-AWEZNQCLSA-N 2 2 274.368 1.575 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000649286713 393322119 /nfs/dbraw/zinc/32/21/19/393322119.db2.gz MSCOJXPTTBMGQE-CQSZACIVSA-N 2 2 277.368 1.149 10 30 CDEELP C=CCCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000662620974 413206179 /nfs/dbraw/zinc/20/61/79/413206179.db2.gz SDKBWLJRSLJBDR-CQSZACIVSA-N 2 2 281.444 1.908 10 30 CDEELP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000660705135 413393095 /nfs/dbraw/zinc/39/30/95/413393095.db2.gz RXWRPEAFAHOANO-LBPRGKRZSA-N 2 2 291.399 1.431 10 30 CDEELP CC[NH+]1CCC([N@H+](C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689121 175096281 /nfs/dbraw/zinc/09/62/81/175096281.db2.gz XMKWRMKXLAOFNW-UHFFFAOYSA-N 3 2 291.464 1.974 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689121 175096283 /nfs/dbraw/zinc/09/62/83/175096283.db2.gz XMKWRMKXLAOFNW-UHFFFAOYSA-N 3 2 291.464 1.974 10 30 CDEELP CC[N@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)CCOC ZINC000045316894 175358164 /nfs/dbraw/zinc/35/81/64/175358164.db2.gz BJWABUDPKVVZNM-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP CC[N@@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)CCOC ZINC000045316894 175358166 /nfs/dbraw/zinc/35/81/66/175358166.db2.gz BJWABUDPKVVZNM-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000071145658 176041859 /nfs/dbraw/zinc/04/18/59/176041859.db2.gz WNFRQLUZEZSOOJ-AWEZNQCLSA-N 2 2 286.379 1.232 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000071145658 176041860 /nfs/dbraw/zinc/04/18/60/176041860.db2.gz WNFRQLUZEZSOOJ-AWEZNQCLSA-N 2 2 286.379 1.232 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CC[C@@H](C)CC[NH3+])CC1 ZINC000079119212 177437159 /nfs/dbraw/zinc/43/71/59/177437159.db2.gz NUZSRTRGRWVQRW-CYBMUJFWSA-N 2 2 253.390 1.082 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001667728972 1173317522 /nfs/dbraw/zinc/31/75/22/1173317522.db2.gz PKSPCVXIVGEYHL-DZGCQCFKSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001667728972 1173317530 /nfs/dbraw/zinc/31/75/30/1173317530.db2.gz PKSPCVXIVGEYHL-DZGCQCFKSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001668117398 1173370229 /nfs/dbraw/zinc/37/02/29/1173370229.db2.gz HVUVFHZSZBQMPO-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670275494 1173669767 /nfs/dbraw/zinc/66/97/67/1173669767.db2.gz NZPGOPARUVZMIH-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670275494 1173669770 /nfs/dbraw/zinc/66/97/70/1173669770.db2.gz NZPGOPARUVZMIH-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671916629 1173721750 /nfs/dbraw/zinc/72/17/50/1173721750.db2.gz PBTVBANOZZLHJG-INIZCTEOSA-N 2 2 288.395 1.112 10 30 CDEELP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001671916629 1173721757 /nfs/dbraw/zinc/72/17/57/1173721757.db2.gz PBTVBANOZZLHJG-INIZCTEOSA-N 2 2 288.395 1.112 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483175926 1160780126 /nfs/dbraw/zinc/78/01/26/1160780126.db2.gz XSQMWHBZSKBWON-NWDGAFQWSA-N 2 2 264.373 1.259 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483175926 1160780135 /nfs/dbraw/zinc/78/01/35/1160780135.db2.gz XSQMWHBZSKBWON-NWDGAFQWSA-N 2 2 264.373 1.259 10 30 CDEELP C[C@@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)C[C@H](C)O1 ZINC000049608445 524989030 /nfs/dbraw/zinc/98/90/30/524989030.db2.gz KOVUNIMHYQBRBK-BETUJISGSA-N 2 2 276.355 1.745 10 30 CDEELP C[C@@H]1C[N@H+](Cc2ccc(C#CC[NH3+])cc2F)C[C@H](C)O1 ZINC000049608445 524989037 /nfs/dbraw/zinc/98/90/37/524989037.db2.gz KOVUNIMHYQBRBK-BETUJISGSA-N 2 2 276.355 1.745 10 30 CDEELP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1C#N ZINC000414909027 538269978 /nfs/dbraw/zinc/26/99/78/538269978.db2.gz BTCGSCWSQYJQDT-FZMZJTMJSA-N 2 2 259.353 1.654 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186847 613743446 /nfs/dbraw/zinc/74/34/46/613743446.db2.gz RWHHKZAAINECKP-CQSZACIVSA-N 2 2 290.411 1.663 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186847 613743447 /nfs/dbraw/zinc/74/34/47/613743447.db2.gz RWHHKZAAINECKP-CQSZACIVSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000901040614 623831869 /nfs/dbraw/zinc/83/18/69/623831869.db2.gz KQNHFPOXESQDCG-HIFRSBDPSA-N 2 2 290.411 1.801 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001670695557 1158695241 /nfs/dbraw/zinc/69/52/41/1158695241.db2.gz BSYWXDZKLZPUOU-STQMWFEESA-N 2 2 262.357 1.211 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001670695557 1158695246 /nfs/dbraw/zinc/69/52/46/1158695246.db2.gz BSYWXDZKLZPUOU-STQMWFEESA-N 2 2 262.357 1.211 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001691514414 1160201878 /nfs/dbraw/zinc/20/18/78/1160201878.db2.gz GEQXAXPRFIENOH-SHTZXODSSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000876730795 1165902579 /nfs/dbraw/zinc/90/25/79/1165902579.db2.gz LJBOCWUATXGFNA-MWLCHTKSSA-N 2 2 270.764 1.105 10 30 CDEELP C=C(C)CC[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001566725477 1168401777 /nfs/dbraw/zinc/40/17/77/1168401777.db2.gz GEKQJWWGVQUDFN-CYBMUJFWSA-N 2 2 276.384 1.403 10 30 CDEELP C[C@H](CC#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001647287938 1168528055 /nfs/dbraw/zinc/52/80/55/1168528055.db2.gz OOBOIIDXYVFLNZ-CYBMUJFWSA-N 2 2 292.427 1.211 10 30 CDEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001569678452 1169964007 /nfs/dbraw/zinc/96/40/07/1169964007.db2.gz VUDOQPQKVZJDML-INIZCTEOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001666938586 1173210869 /nfs/dbraw/zinc/21/08/69/1173210869.db2.gz MEDCIRFDNDABJY-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001691901195 1175647775 /nfs/dbraw/zinc/64/77/75/1175647775.db2.gz VHKVCKJWZOOGHT-UONOGXRCSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001698572294 1175849242 /nfs/dbraw/zinc/84/92/42/1175849242.db2.gz DUJXIIZMABPCJV-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001698572294 1175849245 /nfs/dbraw/zinc/84/92/45/1175849245.db2.gz DUJXIIZMABPCJV-CQSZACIVSA-N 2 2 290.411 1.760 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001698939187 1175989100 /nfs/dbraw/zinc/98/91/00/1175989100.db2.gz OSOWHMRDNXPSHE-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001699031162 1176048837 /nfs/dbraw/zinc/04/88/37/1176048837.db2.gz XKHNIGRVXYNDCR-KGLIPLIRSA-N 2 2 290.411 1.413 10 30 CDEELP C#CCC[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699276923 1176191406 /nfs/dbraw/zinc/19/14/06/1176191406.db2.gz ULUOVRSDHSZOHN-SNAWJCMRSA-N 2 2 282.347 1.462 10 30 CDEELP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699535707 1176466782 /nfs/dbraw/zinc/46/67/82/1176466782.db2.gz XBYMAZAJRHFHMD-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001699587961 1176488306 /nfs/dbraw/zinc/48/83/06/1176488306.db2.gz HFUUFFYLLJAKTR-ZFWWWQNUSA-N 2 2 288.395 1.342 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001699657930 1176553977 /nfs/dbraw/zinc/55/39/77/1176553977.db2.gz OEJVFZIVDPDRMA-UHFFFAOYSA-N 2 2 284.363 1.762 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001699953961 1176695646 /nfs/dbraw/zinc/69/56/46/1176695646.db2.gz NQLRZYMCRUMPRL-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001700403035 1176907836 /nfs/dbraw/zinc/90/78/36/1176907836.db2.gz BKGACZCMSYIOHY-ZIAGYGMSSA-N 2 2 292.427 1.986 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001700409311 1176912741 /nfs/dbraw/zinc/91/27/41/1176912741.db2.gz NVNSLPZWCSTLBQ-STQMWFEESA-N 2 2 278.400 1.412 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001700665518 1177065753 /nfs/dbraw/zinc/06/57/53/1177065753.db2.gz KIWQNTKUZDBOID-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001700759030 1177117107 /nfs/dbraw/zinc/11/71/07/1177117107.db2.gz FMNIGKXYPOVJNO-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001700817082 1177147969 /nfs/dbraw/zinc/14/79/69/1177147969.db2.gz ABOUKQQCADRWKX-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001700817082 1177147975 /nfs/dbraw/zinc/14/79/75/1177147975.db2.gz ABOUKQQCADRWKX-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001707089304 1177947293 /nfs/dbraw/zinc/94/72/93/1177947293.db2.gz PZYBTHKSNBGDIZ-JHJVBQTASA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001707089304 1177947302 /nfs/dbraw/zinc/94/73/02/1177947302.db2.gz PZYBTHKSNBGDIZ-JHJVBQTASA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001707165472 1177961582 /nfs/dbraw/zinc/96/15/82/1177961582.db2.gz NOGGHCUVDPMDOV-HIFRSBDPSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001713320177 1178494491 /nfs/dbraw/zinc/49/44/91/1178494491.db2.gz OSBYRNNNMLXGJS-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001713376906 1178527572 /nfs/dbraw/zinc/52/75/72/1178527572.db2.gz KUVFCTMJNAFBHK-ZIAGYGMSSA-N 2 2 288.395 1.003 10 30 CDEELP C=CCC[NH+]1CC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001713822775 1178776490 /nfs/dbraw/zinc/77/64/90/1178776490.db2.gz IFIGUEGQJUARKE-ZDUSSCGKSA-N 2 2 290.411 1.773 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001713868265 1178802395 /nfs/dbraw/zinc/80/23/95/1178802395.db2.gz KACGMSOOHHSWIX-UONOGXRCSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001714798205 1179402890 /nfs/dbraw/zinc/40/28/90/1179402890.db2.gz YFSXCUQPJJGGLI-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001714798205 1179402893 /nfs/dbraw/zinc/40/28/93/1179402893.db2.gz YFSXCUQPJJGGLI-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715318921 1179620774 /nfs/dbraw/zinc/62/07/74/1179620774.db2.gz ZEWIHERUXFVDOC-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001715335035 1179630114 /nfs/dbraw/zinc/63/01/14/1179630114.db2.gz CWUPUPQDWGPYAZ-YNEHKIRRSA-N 2 2 276.384 1.526 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001715335035 1179630117 /nfs/dbraw/zinc/63/01/17/1179630117.db2.gz CWUPUPQDWGPYAZ-YNEHKIRRSA-N 2 2 276.384 1.526 10 30 CDEELP C#CC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001715505904 1179686778 /nfs/dbraw/zinc/68/67/78/1179686778.db2.gz RLYPSNDUVJISDO-KGLIPLIRSA-N 2 2 276.384 1.198 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001715569956 1179720966 /nfs/dbraw/zinc/72/09/66/1179720966.db2.gz OPEFMLXAQUVRKH-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001715569956 1179720972 /nfs/dbraw/zinc/72/09/72/1179720972.db2.gz OPEFMLXAQUVRKH-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001716067282 1180029068 /nfs/dbraw/zinc/02/90/68/1180029068.db2.gz ZOBXLZYDXIYPKY-UONOGXRCSA-N 2 2 276.384 1.334 10 30 CDEELP CC#CC[N@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001717951046 1180942227 /nfs/dbraw/zinc/94/22/27/1180942227.db2.gz FCMREJAIYIDQKW-UHFFFAOYSA-N 2 2 276.384 1.144 10 30 CDEELP CC#CC[N@@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001717951046 1180942229 /nfs/dbraw/zinc/94/22/29/1180942229.db2.gz FCMREJAIYIDQKW-UHFFFAOYSA-N 2 2 276.384 1.144 10 30 CDEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001724271250 1181659435 /nfs/dbraw/zinc/65/94/35/1181659435.db2.gz IDJIHUKJYLWMCL-MRXNPFEDSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001724795603 1181756327 /nfs/dbraw/zinc/75/63/27/1181756327.db2.gz HZPTUJSOXUOKCH-ZDUSSCGKSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001724795603 1181756334 /nfs/dbraw/zinc/75/63/34/1181756334.db2.gz HZPTUJSOXUOKCH-ZDUSSCGKSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001724951901 1181806228 /nfs/dbraw/zinc/80/62/28/1181806228.db2.gz YRNUCBUSFFMYFD-OLZOCXBDSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001731624869 1182488401 /nfs/dbraw/zinc/48/84/01/1182488401.db2.gz RGROTYWGYUPZGC-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001732419461 1182955338 /nfs/dbraw/zinc/95/53/38/1182955338.db2.gz FGJQNKYTEZNWQP-ZDUSSCGKSA-N 2 2 290.411 1.384 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001732423190 1182958397 /nfs/dbraw/zinc/95/83/97/1182958397.db2.gz PJWSCPMOHSDANL-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001732423190 1182958400 /nfs/dbraw/zinc/95/84/00/1182958400.db2.gz PJWSCPMOHSDANL-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001732496611 1182989781 /nfs/dbraw/zinc/98/97/81/1182989781.db2.gz UIAQKOABFNSEAN-UKRRQHHQSA-N 2 2 290.411 1.365 10 30 CDEELP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001732542932 1183000798 /nfs/dbraw/zinc/00/07/98/1183000798.db2.gz IJEPPAKHVMDZCC-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001733188212 1183324133 /nfs/dbraw/zinc/32/41/33/1183324133.db2.gz VLXVZLPFIJRSOW-AWEZNQCLSA-N 2 2 276.384 1.023 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001733336476 1183400738 /nfs/dbraw/zinc/40/07/38/1183400738.db2.gz VFCUSLCYXPSPQX-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001733673422 1183494239 /nfs/dbraw/zinc/49/42/39/1183494239.db2.gz MIYVKQPPCOLWJQ-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP CC#CCCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001645219425 1167379318 /nfs/dbraw/zinc/37/93/18/1167379318.db2.gz RHSLUHPNRDFLCS-UHFFFAOYSA-N 2 2 267.417 1.180 10 30 CDEELP CC#CCCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001645219425 1167379322 /nfs/dbraw/zinc/37/93/22/1167379322.db2.gz RHSLUHPNRDFLCS-UHFFFAOYSA-N 2 2 267.417 1.180 10 30 CDEELP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567266048 1168643404 /nfs/dbraw/zinc/64/34/04/1168643404.db2.gz FEZGAVSBWNZLIQ-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567266048 1168643408 /nfs/dbraw/zinc/64/34/08/1168643408.db2.gz FEZGAVSBWNZLIQ-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282413920 894272034 /nfs/dbraw/zinc/27/20/34/894272034.db2.gz VFIDJNXFZSEHLI-GFCCVEGCSA-N 2 2 284.363 1.636 10 30 CDEELP CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282413920 894272046 /nfs/dbraw/zinc/27/20/46/894272046.db2.gz VFIDJNXFZSEHLI-GFCCVEGCSA-N 2 2 284.363 1.636 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001266976840 896478196 /nfs/dbraw/zinc/47/81/96/896478196.db2.gz COCHDMIKWNHWHJ-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001266976840 896478201 /nfs/dbraw/zinc/47/82/01/896478201.db2.gz COCHDMIKWNHWHJ-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCCC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353393666 899592211 /nfs/dbraw/zinc/59/22/11/899592211.db2.gz UDGYPAHPQGWVRN-CYBMUJFWSA-N 2 2 282.432 1.454 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001268161022 901454323 /nfs/dbraw/zinc/45/43/23/901454323.db2.gz NIZAFXXEMPLFSW-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001284248917 902994499 /nfs/dbraw/zinc/99/44/99/902994499.db2.gz WCVCJSGTDMTKBL-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001269203002 903542670 /nfs/dbraw/zinc/54/26/70/903542670.db2.gz KLXCDDCXSSAMMU-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001269203002 903542672 /nfs/dbraw/zinc/54/26/72/903542672.db2.gz KLXCDDCXSSAMMU-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001271751226 906773447 /nfs/dbraw/zinc/77/34/47/906773447.db2.gz MOVWHKWPLOBICP-IUODEOHRSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001482652096 908123421 /nfs/dbraw/zinc/12/34/21/908123421.db2.gz PNFCMNZKTPCJJM-UHFFFAOYSA-N 2 2 275.824 1.469 10 30 CDEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001482652096 908123429 /nfs/dbraw/zinc/12/34/29/908123429.db2.gz PNFCMNZKTPCJJM-UHFFFAOYSA-N 2 2 275.824 1.469 10 30 CDEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001482652096 908123442 /nfs/dbraw/zinc/12/34/42/908123442.db2.gz PNFCMNZKTPCJJM-UHFFFAOYSA-N 2 2 275.824 1.469 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001482682196 908264083 /nfs/dbraw/zinc/26/40/83/908264083.db2.gz AGJHBESMWQOTCS-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[NH2+]CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001273533836 920352043 /nfs/dbraw/zinc/35/20/43/920352043.db2.gz KWUMGAGVTHLGEY-UHFFFAOYSA-N 2 2 296.374 1.557 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001491508236 936926871 /nfs/dbraw/zinc/92/68/71/936926871.db2.gz QGZNJMLKUVDWTJ-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001273789366 925885295 /nfs/dbraw/zinc/88/52/95/925885295.db2.gz HBWHYVXEHJMLBN-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001489295543 926859105 /nfs/dbraw/zinc/85/91/05/926859105.db2.gz YRRUHIQXHWONDX-NFAWXSAZSA-N 2 2 290.411 1.743 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001489295543 926859118 /nfs/dbraw/zinc/85/91/18/926859118.db2.gz YRRUHIQXHWONDX-NFAWXSAZSA-N 2 2 290.411 1.743 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001489295543 926859126 /nfs/dbraw/zinc/85/91/26/926859126.db2.gz YRRUHIQXHWONDX-NFAWXSAZSA-N 2 2 290.411 1.743 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001568465857 1169301714 /nfs/dbraw/zinc/30/17/14/1169301714.db2.gz LGBAMVALTNOVJQ-ZFWWWQNUSA-N 2 2 292.427 1.895 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001568465857 1169301726 /nfs/dbraw/zinc/30/17/26/1169301726.db2.gz LGBAMVALTNOVJQ-ZFWWWQNUSA-N 2 2 292.427 1.895 10 30 CDEELP C#CCC[NH2+]C/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001274219538 931243863 /nfs/dbraw/zinc/24/38/63/931243863.db2.gz DPEGTRWFKXRAFP-BQYQJAHWSA-N 2 2 285.391 1.906 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001274752670 931567743 /nfs/dbraw/zinc/56/77/43/931567743.db2.gz HCMBGGYFSUBFDF-LLVKDONJSA-N 2 2 272.352 1.537 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275583078 931894428 /nfs/dbraw/zinc/89/44/28/931894428.db2.gz SDUHDZLKWYNXPR-IJLUTSLNSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275583078 931894437 /nfs/dbraw/zinc/89/44/37/931894437.db2.gz SDUHDZLKWYNXPR-IJLUTSLNSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275583078 931894444 /nfs/dbraw/zinc/89/44/44/931894444.db2.gz SDUHDZLKWYNXPR-IJLUTSLNSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275583078 931894452 /nfs/dbraw/zinc/89/44/52/931894452.db2.gz SDUHDZLKWYNXPR-IJLUTSLNSA-N 2 2 262.357 1.136 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001568639363 1169411055 /nfs/dbraw/zinc/41/10/55/1169411055.db2.gz PYQFUDSUMZCPIN-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001568639363 1169411059 /nfs/dbraw/zinc/41/10/59/1169411059.db2.gz PYQFUDSUMZCPIN-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001276611906 940434356 /nfs/dbraw/zinc/43/43/56/940434356.db2.gz LWONDBBSHRXZSK-CQSZACIVSA-N 2 2 289.379 1.303 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001281963949 942639602 /nfs/dbraw/zinc/63/96/02/942639602.db2.gz AKUILENARGALCE-CQSZACIVSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001281963949 942639606 /nfs/dbraw/zinc/63/96/06/942639606.db2.gz AKUILENARGALCE-CQSZACIVSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001284348114 943152502 /nfs/dbraw/zinc/15/25/02/943152502.db2.gz JDVWJVIOCQSOIB-CYBMUJFWSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[NH+]1CCC([C@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001284719890 943246886 /nfs/dbraw/zinc/24/68/86/943246886.db2.gz STQCWWQGTDBUEX-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001263816785 943984635 /nfs/dbraw/zinc/98/46/35/943984635.db2.gz IUNDNMHZFXHJJC-CYBMUJFWSA-N 2 2 288.395 1.243 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001263816785 943984644 /nfs/dbraw/zinc/98/46/44/943984644.db2.gz IUNDNMHZFXHJJC-CYBMUJFWSA-N 2 2 288.395 1.243 10 30 CDEELP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001264372731 944116519 /nfs/dbraw/zinc/11/65/19/944116519.db2.gz LLXXOLZKDPCTBJ-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001264372731 944116523 /nfs/dbraw/zinc/11/65/23/944116523.db2.gz LLXXOLZKDPCTBJ-AWEZNQCLSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265790342 944509815 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Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000593968675 342858409 /nfs/dbraw/zinc/85/84/09/342858409.db2.gz WWUZKUCWBOZYLQ-CYBMUJFWSA-N 2 2 267.336 1.676 10 30 CDEELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000593968675 342858410 /nfs/dbraw/zinc/85/84/10/342858410.db2.gz WWUZKUCWBOZYLQ-CYBMUJFWSA-N 2 2 267.336 1.676 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626089080 342301256 /nfs/dbraw/zinc/30/12/56/342301256.db2.gz ZOGBFBRDZKQEHM-HNNXBMFYSA-N 2 2 282.428 1.500 10 30 CDEELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000336395338 356165186 /nfs/dbraw/zinc/16/51/86/356165186.db2.gz RLUWUWUERUWRCD-LLVKDONJSA-N 2 2 256.309 1.874 10 30 CDEELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000336395338 356165188 /nfs/dbraw/zinc/16/51/88/356165188.db2.gz RLUWUWUERUWRCD-LLVKDONJSA-N 2 2 256.309 1.874 10 30 CDEELP COc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccc1C#N ZINC000571516565 359581594 /nfs/dbraw/zinc/58/15/94/359581594.db2.gz 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C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001661631693 1172419540 /nfs/dbraw/zinc/41/95/40/1172419540.db2.gz QQNYSNOOFKARPO-SOUVJXGZSA-N 2 2 290.411 1.865 10 30 CDEELP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352827615 374366034 /nfs/dbraw/zinc/36/60/34/374366034.db2.gz ZGDVTDAJPVDJMV-JQWIXIFHSA-N 2 2 264.398 1.977 10 30 CDEELP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)o3)CC2)C1 ZINC000378355211 374641370 /nfs/dbraw/zinc/64/13/70/374641370.db2.gz NMLQYGIFDDAXCF-AWEZNQCLSA-N 2 2 288.395 1.363 10 30 CDEELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)o3)CC2)C1 ZINC000378355211 374641374 /nfs/dbraw/zinc/64/13/74/374641374.db2.gz NMLQYGIFDDAXCF-AWEZNQCLSA-N 2 2 288.395 1.363 10 30 CDEELP C[C@H](CC#N)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000065564682 392038031 /nfs/dbraw/zinc/03/80/31/392038031.db2.gz FPLGQJNAAUTNFW-OAHLLOKOSA-N 2 2 286.423 1.826 10 30 CDEELP C[C@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000065564682 392038034 /nfs/dbraw/zinc/03/80/34/392038034.db2.gz FPLGQJNAAUTNFW-OAHLLOKOSA-N 2 2 286.423 1.826 10 30 CDEELP C=CC[C@@]1(C(=O)NCc2ccc[nH+]c2N(C)C)CCC[NH2+]1 ZINC000662680497 413302460 /nfs/dbraw/zinc/30/24/60/413302460.db2.gz WDJRGFRGGOPEDU-INIZCTEOSA-N 2 2 288.395 1.462 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000068613613 520034226 /nfs/dbraw/zinc/03/42/26/520034226.db2.gz BHWGIRXXGILOPU-GOEBONIOSA-N 2 2 278.444 1.827 10 30 CDEELP CCN[C@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079735 520224148 /nfs/dbraw/zinc/22/41/48/520224148.db2.gz PWGMNSVXQSTHKS-MRXNPFEDSA-N 2 2 278.444 1.542 10 30 CDEELP CN(C)c1[nH+]cc(C[NH2+]CCOc2ccc(C#N)cc2)n1C ZINC000414362490 536161643 /nfs/dbraw/zinc/16/16/43/536161643.db2.gz VNIHASHHVOQREV-UHFFFAOYSA-N 2 2 299.378 1.526 10 30 CDEELP C#CC[NH+]1CCC(Nc2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000895811590 619856673 /nfs/dbraw/zinc/85/66/73/619856673.db2.gz IRAHUXBAWFDIKQ-UHFFFAOYSA-N 2 2 287.363 1.307 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000900587225 623262449 /nfs/dbraw/zinc/26/24/49/623262449.db2.gz WOZCHWCKIYHGNO-UHFFFAOYSA-N 2 2 290.411 1.898 10 30 CDEELP C=CC[C@@H](C(=O)OC)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000878311491 678439838 /nfs/dbraw/zinc/43/98/38/678439838.db2.gz NEJQOSLESHQIMR-HNNXBMFYSA-N 2 2 297.443 1.062 10 30 CDEELP C=CC[C@@H](C(=O)OC)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000878311491 678439841 /nfs/dbraw/zinc/43/98/41/678439841.db2.gz NEJQOSLESHQIMR-HNNXBMFYSA-N 2 2 297.443 1.062 10 30 CDEELP C#C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C1CCOCC1 ZINC000827555238 678505982 /nfs/dbraw/zinc/50/59/82/678505982.db2.gz QEGJFTJSVCBGEU-CQSZACIVSA-N 2 2 276.384 1.004 10 30 CDEELP C#C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000847022736 678914052 /nfs/dbraw/zinc/91/40/52/678914052.db2.gz JNHLEIIBGJHGHW-FUHWJXTLSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000847022736 678914056 /nfs/dbraw/zinc/91/40/56/678914056.db2.gz JNHLEIIBGJHGHW-FUHWJXTLSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000847022736 678914060 /nfs/dbraw/zinc/91/40/60/678914060.db2.gz JNHLEIIBGJHGHW-FUHWJXTLSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000847022736 678914063 /nfs/dbraw/zinc/91/40/63/678914063.db2.gz JNHLEIIBGJHGHW-FUHWJXTLSA-N 2 2 286.419 1.825 10 30 CDEELP N#CCCOCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286076 679460040 /nfs/dbraw/zinc/46/00/40/679460040.db2.gz RTXZWNVFFMWFEB-UHFFFAOYSA-N 2 2 281.400 1.103 10 30 CDEELP N#CCCOCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286076 679460042 /nfs/dbraw/zinc/46/00/42/679460042.db2.gz RTXZWNVFFMWFEB-UHFFFAOYSA-N 2 2 281.400 1.103 10 30 CDEELP C#C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCOCC1 ZINC000827560631 679497429 /nfs/dbraw/zinc/49/74/29/679497429.db2.gz STAJLURJDTYBOB-CQSZACIVSA-N 2 2 293.436 1.723 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001670695555 1158695756 /nfs/dbraw/zinc/69/57/56/1158695756.db2.gz BSYWXDZKLZPUOU-OLZOCXBDSA-N 2 2 262.357 1.211 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001670695555 1158695761 /nfs/dbraw/zinc/69/57/61/1158695761.db2.gz BSYWXDZKLZPUOU-OLZOCXBDSA-N 2 2 262.357 1.211 10 30 CDEELP CON=CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001628130919 1166043959 /nfs/dbraw/zinc/04/39/59/1166043959.db2.gz HNGJBPFVXHDGSE-UHFFFAOYSA-N 2 2 259.269 1.146 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001642207374 1167160408 /nfs/dbraw/zinc/16/04/08/1167160408.db2.gz OCDWBQKYZSSFCU-CVEARBPZSA-N 2 2 263.429 1.500 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001642207374 1167160411 /nfs/dbraw/zinc/16/04/11/1167160411.db2.gz OCDWBQKYZSSFCU-CVEARBPZSA-N 2 2 263.429 1.500 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001566626221 1168359584 /nfs/dbraw/zinc/35/95/84/1168359584.db2.gz FEEIJMFOCNWVNH-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001566626221 1168359588 /nfs/dbraw/zinc/35/95/88/1168359588.db2.gz FEEIJMFOCNWVNH-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP CC#CC[NH+]1CCC(C)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001569705273 1169970844 /nfs/dbraw/zinc/97/08/44/1169970844.db2.gz NAHDKZUBAWQOSE-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001570780044 1170279550 /nfs/dbraw/zinc/27/95/50/1170279550.db2.gz YKKKDUQRRHDDAK-HNNXBMFYSA-N 2 2 290.411 1.438 10 30 CDEELP C#CCC[C@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656881425 1171893798 /nfs/dbraw/zinc/89/37/98/1171893798.db2.gz LENDYDIHVBWSER-ZDUSSCGKSA-N 2 2 275.377 1.798 10 30 CDEELP C=C(C)C[C@H]([NH2+]CC1CC[NH+](CC)CC1)C(=O)OC ZINC001659832823 1172139516 /nfs/dbraw/zinc/13/95/16/1172139516.db2.gz SYRBPPDWRSPZNA-AWEZNQCLSA-N 2 2 268.401 1.816 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001662974839 1172622068 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C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001698603715 1175868102 /nfs/dbraw/zinc/86/81/02/1175868102.db2.gz FWTGZURCFDGGAE-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001700270377 1176826456 /nfs/dbraw/zinc/82/64/56/1176826456.db2.gz CICZBGZPWJOHDG-FZMZJTMJSA-N 2 2 276.384 1.273 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700684646 1177072672 /nfs/dbraw/zinc/07/26/72/1177072672.db2.gz QGHGYUASYBWDNW-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700684646 1177072677 /nfs/dbraw/zinc/07/26/77/1177072677.db2.gz QGHGYUASYBWDNW-YNEHKIRRSA-N 2 2 276.384 1.574 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001713111699 1178374324 /nfs/dbraw/zinc/37/43/24/1178374324.db2.gz LGZBVTGUUVVQNA-CQSZACIVSA-N 2 2 288.395 1.044 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001713162505 1178405604 /nfs/dbraw/zinc/40/56/04/1178405604.db2.gz GUTFEVPRLLLZAA-MGPQQGTHSA-N 2 2 288.395 1.258 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713173736 1178412646 /nfs/dbraw/zinc/41/26/46/1178412646.db2.gz OPFCOQVWVIRCMT-JOCQHMNTSA-N 2 2 276.384 1.464 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001713197869 1178427179 /nfs/dbraw/zinc/42/71/79/1178427179.db2.gz AUZGRVVDHFGGLY-OKILXGFUSA-N 2 2 276.384 1.476 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001714085040 1178966319 /nfs/dbraw/zinc/96/63/19/1178966319.db2.gz NZHDGFUPUZYEAV-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C#CCC[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001714198150 1179011446 /nfs/dbraw/zinc/01/14/46/1179011446.db2.gz IVTYDVKPSFYCEG-UHFFFAOYSA-N 2 2 288.395 1.301 10 30 CDEELP C=C(C)CC[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714736152 1179365414 /nfs/dbraw/zinc/36/54/14/1179365414.db2.gz MNANJZHMIXJZMU-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001714952508 1179474173 /nfs/dbraw/zinc/47/41/73/1179474173.db2.gz GUSUFTBVQVEBOF-GFCCVEGCSA-N 2 2 276.384 1.118 10 30 CDEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001715395038 1179655935 /nfs/dbraw/zinc/65/59/35/1179655935.db2.gz RKAPKKUBXLNRGU-ZDUSSCGKSA-N 2 2 264.373 1.190 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001715507423 1179686986 /nfs/dbraw/zinc/68/69/86/1179686986.db2.gz WTEDQFFSPTZULN-CABCVRRESA-N 2 2 290.411 1.588 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001715555326 1179714894 /nfs/dbraw/zinc/71/48/94/1179714894.db2.gz ASYBDSAIBPCXQG-KGLIPLIRSA-N 2 2 288.395 1.158 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001717817597 1180875769 /nfs/dbraw/zinc/87/57/69/1180875769.db2.gz IXJYEEPGKSEXCG-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001723470843 1181572190 /nfs/dbraw/zinc/57/21/90/1181572190.db2.gz PNZADAQHSLVJGL-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001723470843 1181572193 /nfs/dbraw/zinc/57/21/93/1181572193.db2.gz PNZADAQHSLVJGL-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001723470843 1181572197 /nfs/dbraw/zinc/57/21/97/1181572197.db2.gz PNZADAQHSLVJGL-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001723470843 1181572201 /nfs/dbraw/zinc/57/22/01/1181572201.db2.gz PNZADAQHSLVJGL-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001725635628 1182078850 /nfs/dbraw/zinc/07/88/50/1182078850.db2.gz JGFQUCJTUFMLIT-ZIAGYGMSSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001725635628 1182078856 /nfs/dbraw/zinc/07/88/56/1182078856.db2.gz JGFQUCJTUFMLIT-ZIAGYGMSSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732468550 1182980377 /nfs/dbraw/zinc/98/03/77/1182980377.db2.gz AEADWDKCGFVNMG-LSDHHAIUSA-N 2 2 290.411 1.588 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001733229873 1183356869 /nfs/dbraw/zinc/35/68/69/1183356869.db2.gz YEVRZUSUIYQUKS-ZIAGYGMSSA-N 2 2 276.384 1.601 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001733229873 1183356874 /nfs/dbraw/zinc/35/68/74/1183356874.db2.gz YEVRZUSUIYQUKS-ZIAGYGMSSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001734008754 1183612933 /nfs/dbraw/zinc/61/29/33/1183612933.db2.gz XVMZDIPXWJGJFR-OLZOCXBDSA-N 2 2 264.373 1.332 10 30 CDEELP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001734167853 1183681509 /nfs/dbraw/zinc/68/15/09/1183681509.db2.gz CNFMMDIGLPJUOT-QKDCVEJESA-N 2 2 288.395 1.212 10 30 CDEELP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001734167853 1183681512 /nfs/dbraw/zinc/68/15/12/1183681512.db2.gz CNFMMDIGLPJUOT-QKDCVEJESA-N 2 2 288.395 1.212 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001734215126 1183693494 /nfs/dbraw/zinc/69/34/94/1183693494.db2.gz MATVPHGCYFHNKZ-MGPQQGTHSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001734215126 1183693495 /nfs/dbraw/zinc/69/34/95/1183693495.db2.gz MATVPHGCYFHNKZ-MGPQQGTHSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001734352686 1183744291 /nfs/dbraw/zinc/74/42/91/1183744291.db2.gz UAEKJUPDNQUAPB-LLVKDONJSA-N 2 2 264.373 1.273 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001691742613 1166886015 /nfs/dbraw/zinc/88/60/15/1166886015.db2.gz DENKJTJWINIMTD-SOUVJXGZSA-N 2 2 290.411 1.895 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1CC ZINC001566018521 1168214825 /nfs/dbraw/zinc/21/48/25/1168214825.db2.gz FCRLNADYCPGCBE-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1CC ZINC001566018521 1168214832 /nfs/dbraw/zinc/21/48/32/1168214832.db2.gz FCRLNADYCPGCBE-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001266473824 895016020 /nfs/dbraw/zinc/01/60/20/895016020.db2.gz BANAWJBBAWZBDU-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001266473824 895016035 /nfs/dbraw/zinc/01/60/35/895016035.db2.gz BANAWJBBAWZBDU-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481689726 901800053 /nfs/dbraw/zinc/80/00/53/901800053.db2.gz PJAICQDLPKVSHV-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481689726 901800061 /nfs/dbraw/zinc/80/00/61/901800061.db2.gz PJAICQDLPKVSHV-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481689726 901800070 /nfs/dbraw/zinc/80/00/70/901800070.db2.gz PJAICQDLPKVSHV-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481689726 901800080 /nfs/dbraw/zinc/80/00/80/901800080.db2.gz PJAICQDLPKVSHV-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001481754683 902023250 /nfs/dbraw/zinc/02/32/50/902023250.db2.gz RXYICRFWMIGPFS-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001481754683 902023257 /nfs/dbraw/zinc/02/32/57/902023257.db2.gz RXYICRFWMIGPFS-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268803926 903144565 /nfs/dbraw/zinc/14/45/65/903144565.db2.gz UPOCEVCHNGORII-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001269182619 903511899 /nfs/dbraw/zinc/51/18/99/903511899.db2.gz PMRFKLZTSVIAGK-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001567832942 1169005675 /nfs/dbraw/zinc/00/56/75/1169005675.db2.gz ZYWUABCNSZZBFU-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001567832942 1169005688 /nfs/dbraw/zinc/00/56/88/1169005688.db2.gz ZYWUABCNSZZBFU-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001270268555 904490094 /nfs/dbraw/zinc/49/00/94/904490094.db2.gz KJRHGBLMLJWGQN-HUUCEWRRSA-N 2 2 288.395 1.438 10 30 CDEELP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001482494362 906634583 /nfs/dbraw/zinc/63/45/83/906634583.db2.gz XINXRVLWMIFNEP-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001482494362 906634589 /nfs/dbraw/zinc/63/45/89/906634589.db2.gz XINXRVLWMIFNEP-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001483619310 911376996 /nfs/dbraw/zinc/37/69/96/911376996.db2.gz AXBBJPFULXDVNN-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001484341380 915651039 /nfs/dbraw/zinc/65/10/39/915651039.db2.gz FQKZFKLYHFWZTK-KBPBESRZSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001274951311 931615479 /nfs/dbraw/zinc/61/54/79/931615479.db2.gz BFRDCFDKWJEBMB-QWHCGFSZSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001274951311 931615482 /nfs/dbraw/zinc/61/54/82/931615482.db2.gz BFRDCFDKWJEBMB-QWHCGFSZSA-N 2 2 278.400 1.649 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001275004329 931630215 /nfs/dbraw/zinc/63/02/15/931630215.db2.gz VLQADWJRXDSQSC-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001275004329 931630217 /nfs/dbraw/zinc/63/02/17/931630217.db2.gz VLQADWJRXDSQSC-AWEZNQCLSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCCC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001275332356 931736961 /nfs/dbraw/zinc/73/69/61/931736961.db2.gz VTCRWSVHTWOZSO-UHFFFAOYSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275434054 931789285 /nfs/dbraw/zinc/78/92/85/931789285.db2.gz RAPPAPUQKOBXBG-MNOVXSKESA-N 2 2 272.352 1.845 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275665349 931942999 /nfs/dbraw/zinc/94/29/99/931942999.db2.gz HQTNRMVOLVGAOL-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275665349 931943011 /nfs/dbraw/zinc/94/30/11/931943011.db2.gz HQTNRMVOLVGAOL-KBPBESRZSA-N 2 2 278.400 1.847 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001281968994 942638671 /nfs/dbraw/zinc/63/86/71/942638671.db2.gz RRVSTEFXRRJURF-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001281968994 942638672 /nfs/dbraw/zinc/63/86/72/942638672.db2.gz RRVSTEFXRRJURF-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283680411 942967202 /nfs/dbraw/zinc/96/72/02/942967202.db2.gz PGVYSJPQIRQZEQ-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284957879 943301530 /nfs/dbraw/zinc/30/15/30/943301530.db2.gz WOAVPSATKNESBG-CQSZACIVSA-N 2 2 288.395 1.769 10 30 CDEELP C=CC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284957879 943301532 /nfs/dbraw/zinc/30/15/32/943301532.db2.gz WOAVPSATKNESBG-CQSZACIVSA-N 2 2 288.395 1.769 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264435800 944136559 /nfs/dbraw/zinc/13/65/59/944136559.db2.gz XCKMCQWJZWUFHJ-IHRRRGAJSA-N 2 2 288.395 1.096 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264435800 944136562 /nfs/dbraw/zinc/13/65/62/944136562.db2.gz XCKMCQWJZWUFHJ-IHRRRGAJSA-N 2 2 288.395 1.096 10 30 CDEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001265416427 944377561 /nfs/dbraw/zinc/37/75/61/944377561.db2.gz ZYZOKXPJEWGQOG-OKILXGFUSA-N 2 2 265.401 1.188 10 30 CDEELP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001265416427 944377554 /nfs/dbraw/zinc/37/75/54/944377554.db2.gz ZYZOKXPJEWGQOG-OKILXGFUSA-N 2 2 265.401 1.188 10 30 CDEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001265416427 944377567 /nfs/dbraw/zinc/37/75/67/944377567.db2.gz ZYZOKXPJEWGQOG-OKILXGFUSA-N 2 2 265.401 1.188 10 30 CDEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001265416427 944377574 /nfs/dbraw/zinc/37/75/74/944377574.db2.gz ZYZOKXPJEWGQOG-OKILXGFUSA-N 2 2 265.401 1.188 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001278032784 944623956 /nfs/dbraw/zinc/62/39/56/944623956.db2.gz BSGVJOVGIGQERS-AWEZNQCLSA-N 2 2 278.400 1.676 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266151424 944719176 /nfs/dbraw/zinc/71/91/76/944719176.db2.gz DCXXXBITEQJHKJ-YNEHKIRRSA-N 2 2 274.368 1.021 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266151424 944719190 /nfs/dbraw/zinc/71/91/90/944719190.db2.gz DCXXXBITEQJHKJ-YNEHKIRRSA-N 2 2 274.368 1.021 10 30 CDEELP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001480321824 971671628 /nfs/dbraw/zinc/67/16/28/971671628.db2.gz YPVMYHIXYAODCE-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001480321824 971671631 /nfs/dbraw/zinc/67/16/31/971671631.db2.gz YPVMYHIXYAODCE-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001480488791 971753407 /nfs/dbraw/zinc/75/34/07/971753407.db2.gz AVUSXZMGULIRMV-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001329356441 955843636 /nfs/dbraw/zinc/84/36/36/955843636.db2.gz LFRNEPMUJVBTTG-UHFFFAOYSA-N 2 2 290.411 1.060 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001422368155 955966678 /nfs/dbraw/zinc/96/66/78/955966678.db2.gz KEJZQTYYJNTRJK-RYUDHWBXSA-N 2 2 284.791 1.509 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317358567 956218235 /nfs/dbraw/zinc/21/82/35/956218235.db2.gz SKFANBSAEFIXKF-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001330074179 956264663 /nfs/dbraw/zinc/26/46/63/956264663.db2.gz KXQAEQUZGDHQQO-CYBMUJFWSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001367009702 957335634 /nfs/dbraw/zinc/33/56/34/957335634.db2.gz WCVSODWWWVDHGE-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001367009702 957335646 /nfs/dbraw/zinc/33/56/46/957335646.db2.gz WCVSODWWWVDHGE-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001367009702 957335655 /nfs/dbraw/zinc/33/56/55/957335655.db2.gz WCVSODWWWVDHGE-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001367009702 957335667 /nfs/dbraw/zinc/33/56/67/957335667.db2.gz WCVSODWWWVDHGE-UONOGXRCSA-N 2 2 299.846 1.804 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317597286 957590380 /nfs/dbraw/zinc/59/03/80/957590380.db2.gz FAHQUITVWLLDIW-VXGBXAGGSA-N 2 2 262.357 1.137 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317597286 957590383 /nfs/dbraw/zinc/59/03/83/957590383.db2.gz FAHQUITVWLLDIW-VXGBXAGGSA-N 2 2 262.357 1.137 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001320572411 959246623 /nfs/dbraw/zinc/24/66/23/959246623.db2.gz GSHMXYANWDMSPA-CMPLNLGQSA-N 2 2 298.818 1.825 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001320572411 959246639 /nfs/dbraw/zinc/24/66/39/959246639.db2.gz GSHMXYANWDMSPA-CMPLNLGQSA-N 2 2 298.818 1.825 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001321929997 960020397 /nfs/dbraw/zinc/02/03/97/960020397.db2.gz RTGSZUNMMZAOCJ-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001323358065 960678474 /nfs/dbraw/zinc/67/84/74/960678474.db2.gz RCSBTAWTGSRYOH-HZPDHXFCSA-N 2 2 293.455 1.873 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001323358065 960678485 /nfs/dbraw/zinc/67/84/85/960678485.db2.gz RCSBTAWTGSRYOH-HZPDHXFCSA-N 2 2 293.455 1.873 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001324180536 961221388 /nfs/dbraw/zinc/22/13/88/961221388.db2.gz KGANGBPVBNUJDZ-AWEZNQCLSA-N 2 2 288.395 1.140 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001324236039 961254358 /nfs/dbraw/zinc/25/43/58/961254358.db2.gz NSGIWMINRIBYCB-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001471494152 970428933 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C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001677286226 1174345581 /nfs/dbraw/zinc/34/55/81/1174345581.db2.gz CGGYENOFUPRTLU-CYBMUJFWSA-N 2 2 278.400 1.649 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001570218144 1170114997 /nfs/dbraw/zinc/11/49/97/1170114997.db2.gz MSNXMXIQHZWGHK-UHFFFAOYSA-N 2 2 290.411 1.467 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001570218144 1170115002 /nfs/dbraw/zinc/11/50/02/1170115002.db2.gz MSNXMXIQHZWGHK-UHFFFAOYSA-N 2 2 290.411 1.467 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001570562865 1170190110 /nfs/dbraw/zinc/19/01/10/1170190110.db2.gz YAIKFBHUGSXBSV-UHFFFAOYSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001570562865 1170190116 /nfs/dbraw/zinc/19/01/16/1170190116.db2.gz YAIKFBHUGSXBSV-UHFFFAOYSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001657047806 1171920294 /nfs/dbraw/zinc/92/02/94/1171920294.db2.gz KVMMDKNAIVQJJA-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001657047806 1171920301 /nfs/dbraw/zinc/92/03/01/1171920301.db2.gz KVMMDKNAIVQJJA-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP N#Cc1cnccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000592475158 342698884 /nfs/dbraw/zinc/69/88/84/342698884.db2.gz XRTQEMTWDOOKKU-UHFFFAOYSA-N 2 2 274.368 1.283 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000682435400 482664792 /nfs/dbraw/zinc/66/47/92/482664792.db2.gz QVGKDLUUCKNUFU-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=CCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000682435400 482664799 /nfs/dbraw/zinc/66/47/99/482664799.db2.gz QVGKDLUUCKNUFU-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=CCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000682435400 482664805 /nfs/dbraw/zinc/66/48/05/482664805.db2.gz QVGKDLUUCKNUFU-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=CCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000682435400 482664811 /nfs/dbraw/zinc/66/48/11/482664811.db2.gz QVGKDLUUCKNUFU-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001660550927 1172233055 /nfs/dbraw/zinc/23/30/55/1172233055.db2.gz RKEKHPUWMQBRRU-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001660550927 1172233059 /nfs/dbraw/zinc/23/30/59/1172233059.db2.gz RKEKHPUWMQBRRU-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000528415741 367833638 /nfs/dbraw/zinc/83/36/38/367833638.db2.gz DMWXYVIUXKCRPC-QWHCGFSZSA-N 2 2 274.368 1.644 10 30 CDEELP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000528415741 367833642 /nfs/dbraw/zinc/83/36/42/367833642.db2.gz DMWXYVIUXKCRPC-QWHCGFSZSA-N 2 2 274.368 1.644 10 30 CDEELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCC#N)CC2)C1 ZINC000105845686 374428308 /nfs/dbraw/zinc/42/83/08/374428308.db2.gz OMSSDUCTIDTTGM-INIZCTEOSA-N 2 2 294.443 1.017 10 30 CDEELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCC#N)CC2)C1 ZINC000105845686 374428315 /nfs/dbraw/zinc/42/83/15/374428315.db2.gz OMSSDUCTIDTTGM-INIZCTEOSA-N 2 2 294.443 1.017 10 30 CDEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(CO)CC3)CC2)cc1 ZINC000180053729 390970636 /nfs/dbraw/zinc/97/06/36/390970636.db2.gz ZQAWRBPFANSYSZ-UHFFFAOYSA-N 2 2 285.391 1.637 10 30 CDEELP C=CCN1CC[C@H]([NH+]2CCC(c3c[nH+]c[nH]3)CC2)C1=O ZINC000366890443 392077448 /nfs/dbraw/zinc/07/74/48/392077448.db2.gz DLLDYHPQTJBHPE-AWEZNQCLSA-N 2 2 274.368 1.376 10 30 CDEELP C=CCN1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000366890443 392077452 /nfs/dbraw/zinc/07/74/52/392077452.db2.gz DLLDYHPQTJBHPE-AWEZNQCLSA-N 2 2 274.368 1.376 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000195422283 393206318 /nfs/dbraw/zinc/20/63/18/393206318.db2.gz CMHMRCJCCJPRCU-INIZCTEOSA-N 2 2 273.380 1.495 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663991975 1172797389 /nfs/dbraw/zinc/79/73/89/1172797389.db2.gz GKUJIQMBYFROCK-VXGBXAGGSA-N 2 2 262.357 1.137 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663991975 1172797392 /nfs/dbraw/zinc/79/73/92/1172797392.db2.gz GKUJIQMBYFROCK-VXGBXAGGSA-N 2 2 262.357 1.137 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001664687929 1172884921 /nfs/dbraw/zinc/88/49/21/1172884921.db2.gz ZLAZTHHOLIHYBE-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001664687929 1172884924 /nfs/dbraw/zinc/88/49/24/1172884924.db2.gz ZLAZTHHOLIHYBE-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C#CC[NH+]1CCC([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000037236062 173054263 /nfs/dbraw/zinc/05/42/63/173054263.db2.gz LKVLPOSAWNHSHG-UHFFFAOYSA-N 2 2 259.353 1.277 10 30 CDEELP C#CCC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001671675079 1173701607 /nfs/dbraw/zinc/70/16/07/1173701607.db2.gz SPLTYFJOVDYMCM-ZBFHGGJFSA-N 2 2 288.395 1.438 10 30 CDEELP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001671675079 1173701611 /nfs/dbraw/zinc/70/16/11/1173701611.db2.gz SPLTYFJOVDYMCM-ZBFHGGJFSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422979705 330162557 /nfs/dbraw/zinc/16/25/57/330162557.db2.gz NLNJRGNGMMUREM-DLBZAZTESA-N 3 2 293.455 1.384 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691482017 1159375966 /nfs/dbraw/zinc/37/59/66/1159375966.db2.gz YNMBYTFWJJCNQX-OKILXGFUSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001267510241 1159422243 /nfs/dbraw/zinc/42/22/43/1159422243.db2.gz HYMAYLAXLIVEAA-UHFFFAOYSA-N 2 2 264.373 1.355 10 30 CDEELP C=CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001267510241 1159422246 /nfs/dbraw/zinc/42/22/46/1159422246.db2.gz HYMAYLAXLIVEAA-UHFFFAOYSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268403748 1159928308 /nfs/dbraw/zinc/92/83/08/1159928308.db2.gz LEBBBJOANAXUJA-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP C=CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001713694970 1178713893 /nfs/dbraw/zinc/71/38/93/1178713893.db2.gz BLJXOWLGKMLOQH-UHFFFAOYSA-N 2 2 264.373 1.286 10 30 CDEELP C=CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001713694970 1178713899 /nfs/dbraw/zinc/71/38/99/1178713899.db2.gz BLJXOWLGKMLOQH-UHFFFAOYSA-N 2 2 264.373 1.286 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000756903123 577014087 /nfs/dbraw/zinc/01/40/87/577014087.db2.gz KMZKDHPNMJWMAS-BBRMVZONSA-N 2 2 258.365 1.738 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000756903123 577014088 /nfs/dbraw/zinc/01/40/88/577014088.db2.gz KMZKDHPNMJWMAS-BBRMVZONSA-N 2 2 258.365 1.738 10 30 CDEELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)CC1(C#N)CCC1 ZINC000931718525 683968980 /nfs/dbraw/zinc/96/89/80/683968980.db2.gz AJDQJCVWIKJSKE-RRFJBIMHSA-N 2 2 277.412 1.600 10 30 CDEELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)CC1(C#N)CCC1 ZINC000931718525 683968984 /nfs/dbraw/zinc/96/89/84/683968984.db2.gz AJDQJCVWIKJSKE-RRFJBIMHSA-N 2 2 277.412 1.600 10 30 CDEELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000931718525 683968986 /nfs/dbraw/zinc/96/89/86/683968986.db2.gz AJDQJCVWIKJSKE-RRFJBIMHSA-N 2 2 277.412 1.600 10 30 CDEELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000931718525 683968992 /nfs/dbraw/zinc/96/89/92/683968992.db2.gz AJDQJCVWIKJSKE-RRFJBIMHSA-N 2 2 277.412 1.600 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691061511 1158864807 /nfs/dbraw/zinc/86/48/07/1158864807.db2.gz HMRUVMMFQKYQLA-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691061511 1158864817 /nfs/dbraw/zinc/86/48/17/1158864817.db2.gz HMRUVMMFQKYQLA-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001622809097 1165740170 /nfs/dbraw/zinc/74/01/70/1165740170.db2.gz FMNIBQRDGGWUMR-OCCSQVGLSA-N 2 2 276.384 1.410 10 30 CDEELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001567066687 1168543728 /nfs/dbraw/zinc/54/37/28/1168543728.db2.gz ZZTVPEPHYCFGRN-AWEZNQCLSA-N 2 2 296.374 1.098 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001567222853 1168628745 /nfs/dbraw/zinc/62/87/45/1168628745.db2.gz XBRYODUFDVWQQS-CYBMUJFWSA-N 2 2 284.363 1.456 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568180668 1169165221 /nfs/dbraw/zinc/16/52/21/1169165221.db2.gz VIACDEQAPYHVJD-ZDUSSCGKSA-N 2 2 292.427 1.845 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571278373 1170359599 /nfs/dbraw/zinc/35/95/99/1170359599.db2.gz YKVMICJAPAPHKL-UONOGXRCSA-N 2 2 290.411 1.506 10 30 CDEELP C#C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001659753433 1172135039 /nfs/dbraw/zinc/13/50/39/1172135039.db2.gz FOMHHDIVBGORCC-INIZCTEOSA-N 2 2 290.382 1.416 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661614292 1172417816 /nfs/dbraw/zinc/41/78/16/1172417816.db2.gz GWJMZQWDYSSZRX-OKILXGFUSA-N 2 2 288.395 1.187 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001663602976 1172732592 /nfs/dbraw/zinc/73/25/92/1172732592.db2.gz HJOGIOOFQGPDPW-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001663602976 1172732596 /nfs/dbraw/zinc/73/25/96/1172732596.db2.gz HJOGIOOFQGPDPW-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690689084 1175545493 /nfs/dbraw/zinc/54/54/93/1175545493.db2.gz HQBURISMGHDOJR-KBPBESRZSA-N 2 2 276.384 1.428 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001691830936 1175633175 /nfs/dbraw/zinc/63/31/75/1175633175.db2.gz JYHHXPKLVHEGAA-RBSFLKMASA-N 2 2 290.411 1.722 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001698547110 1175832054 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C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001700903532 1177189117 /nfs/dbraw/zinc/18/91/17/1177189117.db2.gz XBJHHBDSZVFRFA-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713275059 1178463590 /nfs/dbraw/zinc/46/35/90/1178463590.db2.gz DNSMISGWOPIGNH-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713275059 1178463597 /nfs/dbraw/zinc/46/35/97/1178463597.db2.gz DNSMISGWOPIGNH-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713275059 1178463605 /nfs/dbraw/zinc/46/36/05/1178463605.db2.gz DNSMISGWOPIGNH-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713275059 1178463612 /nfs/dbraw/zinc/46/36/12/1178463612.db2.gz DNSMISGWOPIGNH-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001713320176 1178494697 /nfs/dbraw/zinc/49/46/97/1178494697.db2.gz OSBYRNNNMLXGJS-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001713418201 1178548900 /nfs/dbraw/zinc/54/89/00/1178548900.db2.gz AFTAFOSAOXCQCF-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001713606523 1178678262 /nfs/dbraw/zinc/67/82/62/1178678262.db2.gz FAJXRCZLGOKGOE-LBPRGKRZSA-N 2 2 296.802 1.246 10 30 CDEELP C=C(Cl)C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001713776797 1178747685 /nfs/dbraw/zinc/74/76/85/1178747685.db2.gz SMJIIXBTKIUAMK-UHFFFAOYSA-N 2 2 296.802 1.606 10 30 CDEELP C=C(Cl)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001713776797 1178747689 /nfs/dbraw/zinc/74/76/89/1178747689.db2.gz SMJIIXBTKIUAMK-UHFFFAOYSA-N 2 2 296.802 1.606 10 30 CDEELP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713847351 1178790909 /nfs/dbraw/zinc/79/09/09/1178790909.db2.gz LBKFBUXPZNWXLV-AWEZNQCLSA-N 2 2 288.395 1.499 10 30 CDEELP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713847351 1178790916 /nfs/dbraw/zinc/79/09/16/1178790916.db2.gz LBKFBUXPZNWXLV-AWEZNQCLSA-N 2 2 288.395 1.499 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001713913626 1178839017 /nfs/dbraw/zinc/83/90/17/1178839017.db2.gz FMSIPSHQMHNYKP-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001714496772 1179171514 /nfs/dbraw/zinc/17/15/14/1179171514.db2.gz DWKJZJFCTGITSU-UHFFFAOYSA-N 2 2 288.395 1.384 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001714496772 1179171521 /nfs/dbraw/zinc/17/15/21/1179171521.db2.gz DWKJZJFCTGITSU-UHFFFAOYSA-N 2 2 288.395 1.384 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001714648515 1179296793 /nfs/dbraw/zinc/29/67/93/1179296793.db2.gz DSOOTHSIUBNSQH-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001714648515 1179296795 /nfs/dbraw/zinc/29/67/95/1179296795.db2.gz DSOOTHSIUBNSQH-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001716898332 1180458866 /nfs/dbraw/zinc/45/88/66/1180458866.db2.gz TZEZLXLMILNOKP-MRXNPFEDSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001716898332 1180458871 /nfs/dbraw/zinc/45/88/71/1180458871.db2.gz TZEZLXLMILNOKP-MRXNPFEDSA-N 2 2 290.411 1.678 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001717802744 1180863526 /nfs/dbraw/zinc/86/35/26/1180863526.db2.gz PRHHCGLNNRXYTH-UONOGXRCSA-N 2 2 290.411 1.806 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001724264023 1181659297 /nfs/dbraw/zinc/65/92/97/1181659297.db2.gz RPPSOJNVHQXDEJ-INIZCTEOSA-N 2 2 290.411 1.367 10 30 CDEELP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001724752041 1181739777 /nfs/dbraw/zinc/73/97/77/1181739777.db2.gz TZEMXXGZXMMBMH-SHTZXODSSA-N 2 2 288.395 1.171 10 30 CDEELP C#CCC[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001724851720 1181774010 /nfs/dbraw/zinc/77/40/10/1181774010.db2.gz LGSWDIVWEKBXCR-UHFFFAOYSA-N 2 2 298.390 1.980 10 30 CDEELP C#CCC[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001724851720 1181774016 /nfs/dbraw/zinc/77/40/16/1181774016.db2.gz LGSWDIVWEKBXCR-UHFFFAOYSA-N 2 2 298.390 1.980 10 30 CDEELP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731559154 1182448916 /nfs/dbraw/zinc/44/89/16/1182448916.db2.gz NWIDQFQDMABMFQ-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731559154 1182448920 /nfs/dbraw/zinc/44/89/20/1182448920.db2.gz NWIDQFQDMABMFQ-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001732210227 1182858831 /nfs/dbraw/zinc/85/88/31/1182858831.db2.gz YZJDYHHEPYBDOS-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C=CCC[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001732740520 1183105271 /nfs/dbraw/zinc/10/52/71/1183105271.db2.gz WXJUXWGOOKSRHO-LLVKDONJSA-N 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/nfs/dbraw/zinc/76/02/78/1183760278.db2.gz DENIJYYCLPWVDP-ZIAGYGMSSA-N 2 2 296.374 1.550 10 30 CDEELP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001567170319 1168605980 /nfs/dbraw/zinc/60/59/80/1168605980.db2.gz VZVRJUJZOHQMQG-CABCVRRESA-N 2 2 290.411 1.866 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001266877499 896265484 /nfs/dbraw/zinc/26/54/84/896265484.db2.gz KDDFZZRBHBVGQE-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001266877499 896265499 /nfs/dbraw/zinc/26/54/99/896265499.db2.gz KDDFZZRBHBVGQE-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001266914649 896333363 /nfs/dbraw/zinc/33/33/63/896333363.db2.gz USGIKTRNSDVLNO-HSBZDZAISA-N 2 2 288.395 1.239 10 30 CDEELP C#CC[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001266914649 896333369 /nfs/dbraw/zinc/33/33/69/896333369.db2.gz USGIKTRNSDVLNO-HSBZDZAISA-N 2 2 288.395 1.239 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001266984813 896497417 /nfs/dbraw/zinc/49/74/17/896497417.db2.gz DBIGSERQCDMESB-CHWSQXEVSA-N 2 2 278.400 1.412 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267198335 897122640 /nfs/dbraw/zinc/12/26/40/897122640.db2.gz MEPIFZTTWNGNAQ-UHFFFAOYSA-N 2 2 290.411 1.386 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267198335 897122646 /nfs/dbraw/zinc/12/26/46/897122646.db2.gz MEPIFZTTWNGNAQ-UHFFFAOYSA-N 2 2 290.411 1.386 10 30 CDEELP C=C(C)C[N@H+](CCC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001481150058 898982721 /nfs/dbraw/zinc/98/27/21/898982721.db2.gz PSHFGFTZBYRZJJ-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=C(C)C[N@@H+](CCC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001481150058 898982735 /nfs/dbraw/zinc/98/27/35/898982735.db2.gz PSHFGFTZBYRZJJ-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267707640 899330816 /nfs/dbraw/zinc/33/08/16/899330816.db2.gz 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C=C(C)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134140472 334081987 /nfs/dbraw/zinc/08/19/87/334081987.db2.gz VMPLYLMDNZKRRL-UHFFFAOYSA-N 2 2 261.373 1.241 10 30 CDEELP CCCN[C@H](C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000062434951 520059798 /nfs/dbraw/zinc/05/97/98/520059798.db2.gz LUWHQEWZJWOHIT-ZDUSSCGKSA-N 2 2 252.406 1.294 10 30 CDEELP C=CCC[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001486019152 1161448169 /nfs/dbraw/zinc/44/81/69/1161448169.db2.gz KRXHPQGTOMGSOE-CQSZACIVSA-N 2 2 291.395 1.263 10 30 CDEELP CCC[NH2+][C@@](C#N)(CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000069082621 520029909 /nfs/dbraw/zinc/02/99/09/520029909.db2.gz FNMWKUWFMDILAP-CVEARBPZSA-N 2 2 278.444 1.684 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001688935432 1175073165 /nfs/dbraw/zinc/07/31/65/1175073165.db2.gz ICMHEJFBLFELSC-MQMHXKEQSA-N 2 2 289.379 1.303 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001690247313 1175410329 /nfs/dbraw/zinc/41/03/29/1175410329.db2.gz UQEAWDGMWXOYLG-KGLIPLIRSA-N 2 2 274.368 1.048 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061862 613598353 /nfs/dbraw/zinc/59/83/53/613598353.db2.gz RVBFUZSUTKKCML-AWEZNQCLSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061862 613598356 /nfs/dbraw/zinc/59/83/56/613598356.db2.gz RVBFUZSUTKKCML-AWEZNQCLSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OC ZINC000895754618 619828236 /nfs/dbraw/zinc/82/82/36/619828236.db2.gz QYMGLQLUPMOFFB-CYBMUJFWSA-N 2 2 254.374 1.426 10 30 CDEELP C#Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000898668043 621836240 /nfs/dbraw/zinc/83/62/40/621836240.db2.gz CXDGDLJZVJCDNF-UHFFFAOYSA-N 2 2 287.407 1.281 10 30 CDEELP C#Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000898668043 621836243 /nfs/dbraw/zinc/83/62/43/621836243.db2.gz CXDGDLJZVJCDNF-UHFFFAOYSA-N 2 2 287.407 1.281 10 30 CDEELP c1cn(CCCNN=C2CCC[N@@H+]3CCSC[C@@H]23)c[nH+]1 ZINC000872387630 684656422 /nfs/dbraw/zinc/65/64/22/684656422.db2.gz PZCQKFXYTKZULZ-AWEZNQCLSA-N 2 2 293.440 1.430 10 30 CDEELP c1cn(CCCNN=C2CCC[N@H+]3CCSC[C@@H]23)c[nH+]1 ZINC000872387630 684656425 /nfs/dbraw/zinc/65/64/25/684656425.db2.gz PZCQKFXYTKZULZ-AWEZNQCLSA-N 2 2 293.440 1.430 10 30 CDEELP c1cn(CCCNN=C2CCC[N@@H+]3CCCC[C@H]23)c[nH+]1 ZINC000848416498 684756274 /nfs/dbraw/zinc/75/62/74/684756274.db2.gz NFXDWCUXTQTNNP-OAHLLOKOSA-N 2 2 275.400 1.867 10 30 CDEELP c1cn(CCCNN=C2CCC[N@H+]3CCCC[C@H]23)c[nH+]1 ZINC000848416498 684756278 /nfs/dbraw/zinc/75/62/78/684756278.db2.gz NFXDWCUXTQTNNP-OAHLLOKOSA-N 2 2 275.400 1.867 10 30 CDEELP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[C@H]1C ZINC000083898501 685977661 /nfs/dbraw/zinc/97/76/61/685977661.db2.gz CRAXMGRVIHTJNO-YIYPIFLZSA-N 2 2 296.459 1.448 10 30 CDEELP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[C@H]1C ZINC000083898501 685977665 /nfs/dbraw/zinc/97/76/65/685977665.db2.gz CRAXMGRVIHTJNO-YIYPIFLZSA-N 2 2 296.459 1.448 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C#CC[NH2+][C@H](CCNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001725444279 1182002422 /nfs/dbraw/zinc/00/24/22/1182002422.db2.gz AGYPFLKYUQDKRY-CQSZACIVSA-N 2 2 276.384 1.027 10 30 CDEELP C=CCC[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001732024794 1182728310 /nfs/dbraw/zinc/72/83/10/1182728310.db2.gz LTVLFWIYXUZWLN-HNNXBMFYSA-N 2 2 298.390 1.975 10 30 CDEELP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001732079365 1182754502 /nfs/dbraw/zinc/75/45/02/1182754502.db2.gz FBZQMBFMHICNIY-ZDUSSCGKSA-N 2 2 288.395 1.101 10 30 CDEELP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001732079365 1182754507 /nfs/dbraw/zinc/75/45/07/1182754507.db2.gz FBZQMBFMHICNIY-ZDUSSCGKSA-N 2 2 288.395 1.101 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732346060 1182918602 /nfs/dbraw/zinc/91/86/02/1182918602.db2.gz AGRBEQKRLBHFTQ-GFCCVEGCSA-N 2 2 284.363 1.542 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001732545908 1183002368 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C=C(Cl)C[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001566508691 1168316473 /nfs/dbraw/zinc/31/64/73/1168316473.db2.gz MJEGPUDWBQMCII-UHFFFAOYSA-N 2 2 284.791 1.153 10 30 CDEELP C#CCC[N@H+](CC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267246018 897317824 /nfs/dbraw/zinc/31/78/24/897317824.db2.gz OOPGFWYENMWNCN-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C#CCC[N@@H+](CC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267246018 897317835 /nfs/dbraw/zinc/31/78/35/897317835.db2.gz OOPGFWYENMWNCN-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP CC#CC[N@H+](CCC)CCNC(=O)CCc1[nH+]ccn1C ZINC001267314591 897568949 /nfs/dbraw/zinc/56/89/49/897568949.db2.gz LVBFZOBDLCQAEK-UHFFFAOYSA-N 2 2 290.411 1.204 10 30 CDEELP CC#CC[N@@H+](CCC)CCNC(=O)CCc1[nH+]ccn1C ZINC001267314591 897568961 /nfs/dbraw/zinc/56/89/61/897568961.db2.gz LVBFZOBDLCQAEK-UHFFFAOYSA-N 2 2 290.411 1.204 10 30 CDEELP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001481249456 899653955 /nfs/dbraw/zinc/65/39/55/899653955.db2.gz GOCADWKLSDOEFP-GFCCVEGCSA-N 2 2 296.802 1.246 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267992273 900215020 /nfs/dbraw/zinc/21/50/20/900215020.db2.gz TWRNYMDBRGNYRP-LLVKDONJSA-N 2 2 272.352 1.704 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCC)C1 ZINC001481689849 901799648 /nfs/dbraw/zinc/79/96/48/901799648.db2.gz HFCRXAITDUVGGO-HOTGVXAUSA-N 2 2 291.439 1.465 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCC)C1 ZINC001481689849 901799656 /nfs/dbraw/zinc/79/96/56/901799656.db2.gz HFCRXAITDUVGGO-HOTGVXAUSA-N 2 2 291.439 1.465 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCC)C1 ZINC001481689849 901799666 /nfs/dbraw/zinc/79/96/66/901799666.db2.gz HFCRXAITDUVGGO-HOTGVXAUSA-N 2 2 291.439 1.465 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCC)C1 ZINC001481689849 901799674 /nfs/dbraw/zinc/79/96/74/901799674.db2.gz HFCRXAITDUVGGO-HOTGVXAUSA-N 2 2 291.439 1.465 10 30 CDEELP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268376809 901961896 /nfs/dbraw/zinc/96/18/96/901961896.db2.gz DEJYYHLUROFAQI-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001567815412 1168992458 /nfs/dbraw/zinc/99/24/58/1168992458.db2.gz NGECRUDEUODFNT-CYBMUJFWSA-N 2 2 290.411 1.508 10 30 CDEELP CC#CC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001269554087 903927326 /nfs/dbraw/zinc/92/73/26/903927326.db2.gz ONWCVSVZJOYNQY-UHFFFAOYSA-N 2 2 288.395 1.384 10 30 CDEELP CC#CC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001269554087 903927332 /nfs/dbraw/zinc/92/73/32/903927332.db2.gz ONWCVSVZJOYNQY-UHFFFAOYSA-N 2 2 288.395 1.384 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001482300353 904791570 /nfs/dbraw/zinc/79/15/70/904791570.db2.gz SMYBFTXPJZNBEA-CQSZACIVSA-N 2 2 290.411 1.386 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]ccc1OC ZINC001271012362 905549238 /nfs/dbraw/zinc/54/92/38/905549238.db2.gz FIJDNEFWPBAMRY-CYBMUJFWSA-N 2 2 291.395 1.645 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483282827 910788921 /nfs/dbraw/zinc/78/89/21/910788921.db2.gz COPKKIFYHAGXKL-STQMWFEESA-N 2 2 278.400 1.412 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001483567397 911269466 /nfs/dbraw/zinc/26/94/66/911269466.db2.gz KQOBNVWSDHAFHW-MGPQQGTHSA-N 2 2 288.395 1.574 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001483567397 911269480 /nfs/dbraw/zinc/26/94/80/911269480.db2.gz KQOBNVWSDHAFHW-MGPQQGTHSA-N 2 2 288.395 1.574 10 30 CDEELP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001485260626 916704258 /nfs/dbraw/zinc/70/42/58/916704258.db2.gz SZUKXGVGKPNETA-UHFFFAOYSA-N 2 2 276.384 1.050 10 30 CDEELP C=CCCn1cc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001184134306 918879724 /nfs/dbraw/zinc/87/97/24/918879724.db2.gz CWTRHVFIUDBNSA-AWEZNQCLSA-N 2 2 275.400 1.286 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001491461360 936920976 /nfs/dbraw/zinc/92/09/76/936920976.db2.gz FKIVCYKGKDWMBV-BXUZGUMPSA-N 2 2 291.399 1.070 10 30 CDEELP C=CC[NH2+][C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001491461360 936920978 /nfs/dbraw/zinc/92/09/78/936920978.db2.gz FKIVCYKGKDWMBV-BXUZGUMPSA-N 2 2 291.399 1.070 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491505628 936926147 /nfs/dbraw/zinc/92/61/47/936926147.db2.gz OKWDKQSMVPJQGR-NSHDSACASA-N 2 2 272.352 1.847 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001488873159 926745017 /nfs/dbraw/zinc/74/50/17/926745017.db2.gz QZZXKDDNEKXEDR-JOCQHMNTSA-N 2 2 276.384 1.023 10 30 CDEELP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001488958823 926760054 /nfs/dbraw/zinc/76/00/54/926760054.db2.gz IACFQGQHGLVNET-NWDGAFQWSA-N 2 2 296.802 1.579 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001490302517 927094171 /nfs/dbraw/zinc/09/41/71/927094171.db2.gz IEFZVQFTKWMLHQ-UONOGXRCSA-N 2 2 288.395 1.335 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001490565614 927234583 /nfs/dbraw/zinc/23/45/83/927234583.db2.gz NVLTYEYTPZAYHL-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001490565614 927234592 /nfs/dbraw/zinc/23/45/92/927234592.db2.gz NVLTYEYTPZAYHL-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001490565614 927234603 /nfs/dbraw/zinc/23/46/03/927234603.db2.gz NVLTYEYTPZAYHL-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001490565614 927234615 /nfs/dbraw/zinc/23/46/15/927234615.db2.gz NVLTYEYTPZAYHL-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490569879 927235973 /nfs/dbraw/zinc/23/59/73/927235973.db2.gz FTACFZQAQQVEPM-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490569879 927235982 /nfs/dbraw/zinc/23/59/82/927235982.db2.gz FTACFZQAQQVEPM-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001274297941 931488889 /nfs/dbraw/zinc/48/88/89/931488889.db2.gz MBEOPGFDIYPPLB-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001275883089 932112278 /nfs/dbraw/zinc/11/22/78/932112278.db2.gz XSNWUVJZBMHXBV-LBPRGKRZSA-N 2 2 270.336 1.018 10 30 CDEELP C#CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001275883089 932112280 /nfs/dbraw/zinc/11/22/80/932112280.db2.gz XSNWUVJZBMHXBV-LBPRGKRZSA-N 2 2 270.336 1.018 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001278264693 945224898 /nfs/dbraw/zinc/22/48/98/945224898.db2.gz SLCWLDSKIJVGFR-TZMCWYRMSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001278264693 945224905 /nfs/dbraw/zinc/22/49/05/945224905.db2.gz SLCWLDSKIJVGFR-TZMCWYRMSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001277266200 942265404 /nfs/dbraw/zinc/26/54/04/942265404.db2.gz BMHYISRGRFQGBP-ZDUSSCGKSA-N 2 2 276.384 1.476 10 30 CDEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001281476544 942582239 /nfs/dbraw/zinc/58/22/39/942582239.db2.gz VFKHDGZFIGWWRR-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812375 943983606 /nfs/dbraw/zinc/98/36/06/943983606.db2.gz MCXCLDLXQGNRJT-CYBMUJFWSA-N 2 2 262.357 1.061 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812375 943983611 /nfs/dbraw/zinc/98/36/11/943983611.db2.gz MCXCLDLXQGNRJT-CYBMUJFWSA-N 2 2 262.357 1.061 10 30 CDEELP C#CCC[NH2+]C/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568926399 1169551477 /nfs/dbraw/zinc/55/14/77/1169551477.db2.gz BHRHALNUHJQAOL-VBROQKIQSA-N 2 2 274.368 1.120 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423192920 956659373 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CDEELP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494852681 972323665 /nfs/dbraw/zinc/32/36/65/972323665.db2.gz NRDMMQXQOXGVQD-DZGCQCFKSA-N 2 2 288.395 1.144 10 30 CDEELP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494852681 972323669 /nfs/dbraw/zinc/32/36/69/972323669.db2.gz NRDMMQXQOXGVQD-DZGCQCFKSA-N 2 2 288.395 1.144 10 30 CDEELP C=CC[NH2+]C[C@@](C)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001318698451 958237732 /nfs/dbraw/zinc/23/77/32/958237732.db2.gz LCRAMUWVLASNOV-OAHLLOKOSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C[C@@](C)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001318698451 958237742 /nfs/dbraw/zinc/23/77/42/958237742.db2.gz LCRAMUWVLASNOV-OAHLLOKOSA-N 2 2 276.384 1.403 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001495099380 972406983 /nfs/dbraw/zinc/40/69/83/972406983.db2.gz SEZVVUAHVOBOOC-LBPRGKRZSA-N 2 2 264.373 1.321 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001369426877 959679132 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C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001418157183 973615779 /nfs/dbraw/zinc/61/57/79/973615779.db2.gz BSGLQQHANLXQES-CQSZACIVSA-N 2 2 299.846 1.805 10 30 CDEELP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001418157183 973615786 /nfs/dbraw/zinc/61/57/86/973615786.db2.gz BSGLQQHANLXQES-CQSZACIVSA-N 2 2 299.846 1.805 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001498780659 974059594 /nfs/dbraw/zinc/05/95/94/974059594.db2.gz DNHSMWCNFHJIBJ-MRXNPFEDSA-N 2 2 296.374 1.684 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001499853903 974314110 /nfs/dbraw/zinc/31/41/10/974314110.db2.gz QBKAYYBKLAHDQJ-TZMCWYRMSA-N 2 2 290.411 1.806 10 30 CDEELP C#CCC[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001499992037 974348367 /nfs/dbraw/zinc/34/83/67/974348367.db2.gz KUJKPDCLQUNKIT-UHFFFAOYSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001500294786 974416366 /nfs/dbraw/zinc/41/63/66/974416366.db2.gz CKJVGUSKNQPNRK-INIZCTEOSA-N 2 2 288.395 1.267 10 30 CDEELP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001500294786 974416371 /nfs/dbraw/zinc/41/63/71/974416371.db2.gz CKJVGUSKNQPNRK-INIZCTEOSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[NH2+]CCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001506923019 975262429 /nfs/dbraw/zinc/26/24/29/975262429.db2.gz FTEUCFPODFSISQ-ZDUSSCGKSA-N 2 2 276.384 1.240 10 30 CDEELP CC#CC[NH2+]CCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001506923019 975262433 /nfs/dbraw/zinc/26/24/33/975262433.db2.gz FTEUCFPODFSISQ-ZDUSSCGKSA-N 2 2 276.384 1.240 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001507131949 975348077 /nfs/dbraw/zinc/34/80/77/975348077.db2.gz LJAGWZQBJZXNID-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001507131949 975348082 /nfs/dbraw/zinc/34/80/82/975348082.db2.gz LJAGWZQBJZXNID-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001406375164 976156990 /nfs/dbraw/zinc/15/69/90/976156990.db2.gz ARRPHTRURIXBOT-VXGBXAGGSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001402952048 976610430 /nfs/dbraw/zinc/61/04/30/976610430.db2.gz YHLBNISLUNAVCS-NEPJUHHUSA-N 2 2 296.802 1.292 10 30 CDEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073549 342663737 /nfs/dbraw/zinc/66/37/37/342663737.db2.gz GVLSZHQHIKUDSX-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073549 342663738 /nfs/dbraw/zinc/66/37/38/342663738.db2.gz GVLSZHQHIKUDSX-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073549 342663739 /nfs/dbraw/zinc/66/37/39/342663739.db2.gz GVLSZHQHIKUDSX-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073549 342663740 /nfs/dbraw/zinc/66/37/40/342663740.db2.gz GVLSZHQHIKUDSX-HOCLYGCPSA-N 2 2 270.380 1.869 10 30 CDEELP C=CCOCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626089319 342301392 /nfs/dbraw/zinc/30/13/92/342301392.db2.gz LHLUGYAGKWQCCG-UHFFFAOYSA-N 2 2 282.428 1.766 10 30 CDEELP C=CC(C)(C)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629509668 362121717 /nfs/dbraw/zinc/12/17/17/362121717.db2.gz HAAYJWHAUXDRPX-KGLIPLIRSA-N 2 2 252.402 1.945 10 30 CDEELP COc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000619652594 349836048 /nfs/dbraw/zinc/83/60/48/349836048.db2.gz UAXSTBJNKRXEGO-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP COc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000619652594 349836050 /nfs/dbraw/zinc/83/60/50/349836050.db2.gz UAXSTBJNKRXEGO-AWEZNQCLSA-N 2 2 259.353 1.751 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C#N)CCCC1 ZINC000597990143 343681075 /nfs/dbraw/zinc/68/10/75/343681075.db2.gz OIRNYPYIQKJNAA-UHFFFAOYSA-N 2 2 280.416 1.070 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C#N)CCCC1 ZINC000597990143 343681077 /nfs/dbraw/zinc/68/10/77/343681077.db2.gz OIRNYPYIQKJNAA-UHFFFAOYSA-N 2 2 280.416 1.070 10 30 CDEELP C[C@@H](CCC#N)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000618887159 345418501 /nfs/dbraw/zinc/41/85/01/345418501.db2.gz KRNSKQLGWXVEOZ-AWEZNQCLSA-N 2 2 275.400 1.478 10 30 CDEELP C=CCOc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000623756807 346046902 /nfs/dbraw/zinc/04/69/02/346046902.db2.gz GPJHUQVDKVXDFO-OAHLLOKOSA-N 2 2 276.380 1.408 10 30 CDEELP C=CCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000623756807 346046904 /nfs/dbraw/zinc/04/69/04/346046904.db2.gz GPJHUQVDKVXDFO-OAHLLOKOSA-N 2 2 276.380 1.408 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292202803 198200507 /nfs/dbraw/zinc/20/05/07/198200507.db2.gz SLTVUYZRETXSRJ-INIZCTEOSA-N 2 2 277.412 1.215 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292202803 198200509 /nfs/dbraw/zinc/20/05/09/198200509.db2.gz SLTVUYZRETXSRJ-INIZCTEOSA-N 2 2 277.412 1.215 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001660859284 1172291248 /nfs/dbraw/zinc/29/12/48/1172291248.db2.gz ITZVXZFLCBQAHF-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001660859284 1172291255 /nfs/dbraw/zinc/29/12/55/1172291255.db2.gz ITZVXZFLCBQAHF-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001661657734 1172422978 /nfs/dbraw/zinc/42/29/78/1172422978.db2.gz FZCPIBPTJKCIKA-MELADBBJSA-N 2 2 274.368 1.094 10 30 CDEELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000422995840 374366060 /nfs/dbraw/zinc/36/60/60/374366060.db2.gz ZMRAIBZFDACHDZ-DZGCQCFKSA-N 2 2 289.379 1.294 10 30 CDEELP C=CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515664 376002967 /nfs/dbraw/zinc/00/29/67/376002967.db2.gz MPOMDAYERIJXKB-CYBMUJFWSA-N 2 2 274.368 1.118 10 30 CDEELP C=CCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515664 376002971 /nfs/dbraw/zinc/00/29/71/376002971.db2.gz MPOMDAYERIJXKB-CYBMUJFWSA-N 2 2 274.368 1.118 10 30 CDEELP C=CCCn1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)nn1 ZINC000655940979 412954251 /nfs/dbraw/zinc/95/42/51/412954251.db2.gz JIRDWZULXNGODK-ZDUSSCGKSA-N 2 2 263.389 1.332 10 30 CDEELP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001663396318 1172685654 /nfs/dbraw/zinc/68/56/54/1172685654.db2.gz KLYMEEFTNXAFKL-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001663396318 1172685656 /nfs/dbraw/zinc/68/56/56/1172685656.db2.gz KLYMEEFTNXAFKL-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000351882433 391785025 /nfs/dbraw/zinc/78/50/25/391785025.db2.gz PTNHXDXKYZYPEU-UHFFFAOYSA-N 2 2 275.400 1.631 10 30 CDEELP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660480175 413158055 /nfs/dbraw/zinc/15/80/55/413158055.db2.gz SIFQCHBRVLSVLO-CABCVRRESA-N 2 2 268.401 1.110 10 30 CDEELP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660480175 413158061 /nfs/dbraw/zinc/15/80/61/413158061.db2.gz SIFQCHBRVLSVLO-CABCVRRESA-N 2 2 268.401 1.110 10 30 CDEELP C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373355538 397675527 /nfs/dbraw/zinc/67/55/27/397675527.db2.gz VPKOQXXSWJEXIF-LSDHHAIUSA-N 2 2 293.455 1.873 10 30 CDEELP C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373355538 397675529 /nfs/dbraw/zinc/67/55/29/397675529.db2.gz VPKOQXXSWJEXIF-LSDHHAIUSA-N 2 2 293.455 1.873 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001664014037 1172800633 /nfs/dbraw/zinc/80/06/33/1172800633.db2.gz YFBJJLHUYOFHEA-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662844379 413594416 /nfs/dbraw/zinc/59/44/16/413594416.db2.gz YCTXLVQKPUAESR-HZSPNIEDSA-N 2 2 267.417 1.517 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306082 175355968 /nfs/dbraw/zinc/35/59/68/175355968.db2.gz XJERJIMOIGZWPD-INIZCTEOSA-N 2 2 294.443 1.634 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CCC[C@@](C)(C#N)[NH2+]C)CC1 ZINC000045317130 175358446 /nfs/dbraw/zinc/35/84/46/175358446.db2.gz WBUDJBUQXBRUBX-HNNXBMFYSA-N 3 2 266.433 1.684 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CCC[C@@](C)(C#N)[NH2+]C)CC1 ZINC000045317130 175358447 /nfs/dbraw/zinc/35/84/47/175358447.db2.gz WBUDJBUQXBRUBX-HNNXBMFYSA-N 3 2 266.433 1.684 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670275492 1173669915 /nfs/dbraw/zinc/66/99/15/1173669915.db2.gz NZPGOPARUVZMIH-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670275492 1173669917 /nfs/dbraw/zinc/66/99/17/1173669917.db2.gz NZPGOPARUVZMIH-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411661488 328097961 /nfs/dbraw/zinc/09/79/61/328097961.db2.gz MMAKBRAFYWAOGC-ZDUSSCGKSA-N 2 2 274.368 1.904 10 30 CDEELP C=CCC(C)(C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423140843 330172346 /nfs/dbraw/zinc/17/23/46/330172346.db2.gz ZKZZZBXXYCQDHI-ZIAGYGMSSA-N 2 2 252.402 1.945 10 30 CDEELP C=CCCC[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001677607998 1174376558 /nfs/dbraw/zinc/37/65/58/1174376558.db2.gz VMFAXLUUIIMBBA-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP C=CCCC[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001677607998 1174376561 /nfs/dbraw/zinc/37/65/61/1174376561.db2.gz VMFAXLUUIIMBBA-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP CC(C)[NH2+][C@@](C#N)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000069083847 519735156 /nfs/dbraw/zinc/73/51/56/519735156.db2.gz BMMNRJJQASSTIY-HNNXBMFYSA-N 2 2 266.433 1.540 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@H]2CC[NH2+]C23CCCC3)nc1 ZINC000925894481 693946237 /nfs/dbraw/zinc/94/62/37/693946237.db2.gz YXSUSVOMHRVKTJ-AWEZNQCLSA-N 2 2 285.395 1.629 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053352 1158843623 /nfs/dbraw/zinc/84/36/23/1158843623.db2.gz OQWSAKSAPWABCA-OAHLLOKOSA-N 2 2 291.439 1.417 10 30 CDEELP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053352 1158843632 /nfs/dbraw/zinc/84/36/32/1158843632.db2.gz OQWSAKSAPWABCA-OAHLLOKOSA-N 2 2 291.439 1.417 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266819994 1158859884 /nfs/dbraw/zinc/85/98/84/1158859884.db2.gz HJSKSDOXUFTHEG-AWEZNQCLSA-N 2 2 288.395 1.112 10 30 CDEELP C#CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000825519189 692704521 /nfs/dbraw/zinc/70/45/21/692704521.db2.gz AVACAPPESHHANV-UHFFFAOYSA-N 2 2 252.321 1.865 10 30 CDEELP C#CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000825519189 692704523 /nfs/dbraw/zinc/70/45/23/692704523.db2.gz AVACAPPESHHANV-UHFFFAOYSA-N 2 2 252.321 1.865 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001481683998 1159876228 /nfs/dbraw/zinc/87/62/28/1159876228.db2.gz DHYAPQUDOCURNZ-KKUMJFAQSA-N 2 2 288.395 1.523 10 30 CDEELP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001481683998 1159876239 /nfs/dbraw/zinc/87/62/39/1159876239.db2.gz DHYAPQUDOCURNZ-KKUMJFAQSA-N 2 2 288.395 1.523 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001670807191 1160168841 /nfs/dbraw/zinc/16/88/41/1160168841.db2.gz DDCKGJLLUAXKDA-UHFFFAOYSA-N 2 2 282.347 1.438 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001642207376 1167160781 /nfs/dbraw/zinc/16/07/81/1167160781.db2.gz OCDWBQKYZSSFCU-HZPDHXFCSA-N 2 2 263.429 1.500 10 30 CDEELP CCC#C[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001642207376 1167160783 /nfs/dbraw/zinc/16/07/83/1167160783.db2.gz OCDWBQKYZSSFCU-HZPDHXFCSA-N 2 2 263.429 1.500 10 30 CDEELP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567177172 1168607560 /nfs/dbraw/zinc/60/75/60/1168607560.db2.gz SKRRMQIAYCFUKC-KGLIPLIRSA-N 2 2 288.395 1.301 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001567232934 1168632033 /nfs/dbraw/zinc/63/20/33/1168632033.db2.gz HPFXIIGVXXUPBY-NEPJUHHUSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001567232934 1168632036 /nfs/dbraw/zinc/63/20/36/1168632036.db2.gz HPFXIIGVXXUPBY-NEPJUHHUSA-N 2 2 264.373 1.259 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001569321679 1169764359 /nfs/dbraw/zinc/76/43/59/1169764359.db2.gz TWBRWMXBJVHNTI-ZFWWWQNUSA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569544551 1169918184 /nfs/dbraw/zinc/91/81/84/1169918184.db2.gz NKBXKRCHLAGPHR-JHJVBQTASA-N 2 2 274.368 1.280 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569544551 1169918188 /nfs/dbraw/zinc/91/81/88/1169918188.db2.gz NKBXKRCHLAGPHR-JHJVBQTASA-N 2 2 274.368 1.280 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001665856279 1173074914 /nfs/dbraw/zinc/07/49/14/1173074914.db2.gz KZFHPPXYBSGTBE-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001665856279 1173074919 /nfs/dbraw/zinc/07/49/19/1173074919.db2.gz KZFHPPXYBSGTBE-RYUDHWBXSA-N 2 2 264.373 1.259 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669887271 1173624756 /nfs/dbraw/zinc/62/47/56/1173624756.db2.gz DPDJYMCGFNKGNY-KGLIPLIRSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669887271 1173624759 /nfs/dbraw/zinc/62/47/59/1173624759.db2.gz DPDJYMCGFNKGNY-KGLIPLIRSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001690594202 1175515465 /nfs/dbraw/zinc/51/54/65/1175515465.db2.gz RPXHJMBWGAZQQQ-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001698574736 1175852135 /nfs/dbraw/zinc/85/21/35/1175852135.db2.gz JBHKMIDWVGPDOL-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001698574736 1175852140 /nfs/dbraw/zinc/85/21/40/1175852140.db2.gz JBHKMIDWVGPDOL-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001699034682 1176051773 /nfs/dbraw/zinc/05/17/73/1176051773.db2.gz POXDQMJNRCIDKF-KGLIPLIRSA-N 2 2 290.411 1.711 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001699450861 1176412827 /nfs/dbraw/zinc/41/28/27/1176412827.db2.gz MNTVAFKPYSPUMC-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001699450861 1176412829 /nfs/dbraw/zinc/41/28/29/1176412829.db2.gz MNTVAFKPYSPUMC-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699450931 1176413212 /nfs/dbraw/zinc/41/32/12/1176413212.db2.gz NROHIJOLLUATJO-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699450931 1176413216 /nfs/dbraw/zinc/41/32/16/1176413216.db2.gz NROHIJOLLUATJO-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699514752 1176457209 /nfs/dbraw/zinc/45/72/09/1176457209.db2.gz WIQMBTKLGJACMC-ZIAGYGMSSA-N 2 2 290.411 1.918 10 30 CDEELP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699514752 1176457218 /nfs/dbraw/zinc/45/72/18/1176457218.db2.gz WIQMBTKLGJACMC-ZIAGYGMSSA-N 2 2 290.411 1.918 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001713869156 1178803870 /nfs/dbraw/zinc/80/38/70/1178803870.db2.gz UZZZXROTHUFRMY-ZFWWWQNUSA-N 2 2 288.395 1.116 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)CCc1[nH+]ccn1C ZINC001714090941 1178968195 /nfs/dbraw/zinc/96/81/95/1178968195.db2.gz NBLHZWHKJYMQNR-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001714358893 1179103626 /nfs/dbraw/zinc/10/36/26/1179103626.db2.gz AXACYKFCVRYKFC-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716665177 1180350511 /nfs/dbraw/zinc/35/05/11/1180350511.db2.gz IBNCFDVMTWBEIO-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716665177 1180350517 /nfs/dbraw/zinc/35/05/17/1180350517.db2.gz IBNCFDVMTWBEIO-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716665177 1180350525 /nfs/dbraw/zinc/35/05/25/1180350525.db2.gz IBNCFDVMTWBEIO-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716665177 1180350530 /nfs/dbraw/zinc/35/05/30/1180350530.db2.gz IBNCFDVMTWBEIO-UKRRQHHQSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001717105819 1180531364 /nfs/dbraw/zinc/53/13/64/1180531364.db2.gz BTPQBBBKIVUBNK-ZDUSSCGKSA-N 2 2 290.411 1.702 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001717333885 1180621146 /nfs/dbraw/zinc/62/11/46/1180621146.db2.gz NJQDFXOYILYHGR-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001717333885 1180621150 /nfs/dbraw/zinc/62/11/50/1180621150.db2.gz NJQDFXOYILYHGR-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001724715432 1181733421 /nfs/dbraw/zinc/73/34/21/1181733421.db2.gz GZIRIYSWILTAKP-AWEZNQCLSA-N 2 2 298.390 1.962 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001724959715 1181809775 /nfs/dbraw/zinc/80/97/75/1181809775.db2.gz BPKVJWCXWIVSGU-UHFFFAOYSA-N 2 2 290.411 1.844 10 30 CDEELP C#CCC[N@H+](C)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001731249491 1182276941 /nfs/dbraw/zinc/27/69/41/1182276941.db2.gz YSDFHTXJDBVQQH-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C#CCC[N@@H+](C)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001731249491 1182276949 /nfs/dbraw/zinc/27/69/49/1182276949.db2.gz YSDFHTXJDBVQQH-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001731410639 1182370362 /nfs/dbraw/zinc/37/03/62/1182370362.db2.gz MKJQGILLHLABEQ-LBPRGKRZSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731834113 1182615450 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C#CC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690027374 1175350876 /nfs/dbraw/zinc/35/08/76/1175350876.db2.gz JZSLLJCRMDGBRR-AWEZNQCLSA-N 2 2 288.395 1.390 10 30 CDEELP C#CC[NH+]1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000895808181 619855225 /nfs/dbraw/zinc/85/52/25/619855225.db2.gz CJXHYKDQUCVDGF-UHFFFAOYSA-N 2 2 281.363 1.722 10 30 CDEELP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C#N)ccn1 ZINC000902962778 625705137 /nfs/dbraw/zinc/70/51/37/625705137.db2.gz LHFDYGQCCILWIQ-WCQYABFASA-N 2 2 267.336 1.815 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711485 630739026 /nfs/dbraw/zinc/73/90/26/630739026.db2.gz WBJVONJKPNEGRV-UHFFFAOYSA-N 2 2 298.390 1.784 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)ncn1CC ZINC001772516031 1158544162 /nfs/dbraw/zinc/54/41/62/1158544162.db2.gz JXZHUQYLTURZQD-UHFFFAOYSA-N 2 2 268.792 1.601 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)ncn1CC ZINC001772516031 1158544168 /nfs/dbraw/zinc/54/41/68/1158544168.db2.gz JXZHUQYLTURZQD-UHFFFAOYSA-N 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CDEELP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001662659835 1172576160 /nfs/dbraw/zinc/57/61/60/1172576160.db2.gz FQCIAWILCCTIKD-AWEZNQCLSA-N 2 2 298.390 1.962 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001692240668 1175712348 /nfs/dbraw/zinc/71/23/48/1175712348.db2.gz SHLDUMHSOBJGOI-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001692240668 1175712352 /nfs/dbraw/zinc/71/23/52/1175712352.db2.gz SHLDUMHSOBJGOI-KGLIPLIRSA-N 2 2 276.384 1.428 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001699034684 1176052086 /nfs/dbraw/zinc/05/20/86/1176052086.db2.gz POXDQMJNRCIDKF-ZIAGYGMSSA-N 2 2 290.411 1.711 10 30 CDEELP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699850283 1176654643 /nfs/dbraw/zinc/65/46/43/1176654643.db2.gz YCOMOFPXSVYYBC-HOCLYGCPSA-N 2 2 290.411 1.848 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001700987742 1177226633 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CDEELP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714642107 1179291687 /nfs/dbraw/zinc/29/16/87/1179291687.db2.gz CSBTXHOMGRTDAF-CHWSQXEVSA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001714642107 1179291695 /nfs/dbraw/zinc/29/16/95/1179291695.db2.gz CSBTXHOMGRTDAF-CHWSQXEVSA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001714642107 1179291703 /nfs/dbraw/zinc/29/17/03/1179291703.db2.gz CSBTXHOMGRTDAF-CHWSQXEVSA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001714642107 1179291712 /nfs/dbraw/zinc/29/17/12/1179291712.db2.gz CSBTXHOMGRTDAF-CHWSQXEVSA-N 2 2 276.384 1.212 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001715388046 1179654084 /nfs/dbraw/zinc/65/40/84/1179654084.db2.gz XOKNOXATOMNLDK-CYBMUJFWSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001715535773 1179706451 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C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001734343987 1183740753 /nfs/dbraw/zinc/74/07/53/1183740753.db2.gz VKBOKGCVVMMCSG-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001567519994 1168829658 /nfs/dbraw/zinc/82/96/58/1168829658.db2.gz GYBNHKLKPPGAGJ-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001266874957 896259409 /nfs/dbraw/zinc/25/94/09/896259409.db2.gz ULOSOMOJJOTPMD-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267202632 897136603 /nfs/dbraw/zinc/13/66/03/897136603.db2.gz DZFFWIHHIDLDJB-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267202632 897136612 /nfs/dbraw/zinc/13/66/12/897136612.db2.gz DZFFWIHHIDLDJB-UHFFFAOYSA-N 2 2 272.352 1.801 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267205210 897142665 /nfs/dbraw/zinc/14/26/65/897142665.db2.gz WHWQKAZMMUTLCU-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267205210 897142674 /nfs/dbraw/zinc/14/26/74/897142674.db2.gz WHWQKAZMMUTLCU-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001267282629 897459090 /nfs/dbraw/zinc/45/90/90/897459090.db2.gz FYHLZZRUOIPJOZ-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001267282629 897459098 /nfs/dbraw/zinc/45/90/98/897459098.db2.gz FYHLZZRUOIPJOZ-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073334 898737068 /nfs/dbraw/zinc/73/70/68/898737068.db2.gz KJAZUGQLMFZPOU-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073334 898737077 /nfs/dbraw/zinc/73/70/77/898737077.db2.gz KJAZUGQLMFZPOU-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267993504 900215903 /nfs/dbraw/zinc/21/59/03/900215903.db2.gz YTZFWLDYQUSVPT-UONOGXRCSA-N 2 2 290.411 1.364 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001567738004 1168941182 /nfs/dbraw/zinc/94/11/82/1168941182.db2.gz MAOPMYAYNRJMTC-LSDHHAIUSA-N 2 2 288.395 1.248 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001567738004 1168941189 /nfs/dbraw/zinc/94/11/89/1168941189.db2.gz MAOPMYAYNRJMTC-LSDHHAIUSA-N 2 2 288.395 1.248 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001268214589 901583258 /nfs/dbraw/zinc/58/32/58/901583258.db2.gz YPDZPEGXJYHTFC-MCIONIFRSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001268214589 901583261 /nfs/dbraw/zinc/58/32/61/901583261.db2.gz YPDZPEGXJYHTFC-MCIONIFRSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001268243470 901652038 /nfs/dbraw/zinc/65/20/38/901652038.db2.gz LEROGTHZFZFIRU-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001268243470 901652046 /nfs/dbraw/zinc/65/20/46/901652046.db2.gz LEROGTHZFZFIRU-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001268292057 901763515 /nfs/dbraw/zinc/76/35/15/901763515.db2.gz PCLHFNHNGQHZRH-OLZOCXBDSA-N 2 2 276.384 1.321 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001482162948 902780584 /nfs/dbraw/zinc/78/05/84/902780584.db2.gz GHIHMKAYFBCMAM-GFCCVEGCSA-N 2 2 278.400 1.569 10 30 CDEELP C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001270435524 904634065 /nfs/dbraw/zinc/63/40/65/904634065.db2.gz CKPIQSKIPVKYFZ-GFCCVEGCSA-N 2 2 278.400 1.455 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001482397194 905295827 /nfs/dbraw/zinc/29/58/27/905295827.db2.gz VLPDBUJIOSLVBV-CQSZACIVSA-N 2 2 292.427 1.659 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271553129 906516449 /nfs/dbraw/zinc/51/64/49/906516449.db2.gz VKOHJRHKTGPACC-GXTWGEPZSA-N 2 2 288.395 1.111 10 30 CDEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484120617 915445199 /nfs/dbraw/zinc/44/51/99/915445199.db2.gz VFGZMPMLSYAVLN-HNNXBMFYSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001484372337 915687359 /nfs/dbraw/zinc/68/73/59/915687359.db2.gz SEWCSXNJWFKACY-UONOGXRCSA-N 2 2 298.390 1.818 10 30 CDEELP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484543887 915865262 /nfs/dbraw/zinc/86/52/62/915865262.db2.gz RGTUBQVCFVKGFZ-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484543887 915865279 /nfs/dbraw/zinc/86/52/79/915865279.db2.gz RGTUBQVCFVKGFZ-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484748027 916133072 /nfs/dbraw/zinc/13/30/72/916133072.db2.gz VYBWKBWQYHEFEO-UHFFFAOYSA-N 2 2 284.363 1.590 10 30 CDEELP C#CC[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484748027 916133084 /nfs/dbraw/zinc/13/30/84/916133084.db2.gz VYBWKBWQYHEFEO-UHFFFAOYSA-N 2 2 284.363 1.590 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001273465830 916548733 /nfs/dbraw/zinc/54/87/33/916548733.db2.gz MKTSHUAXIJYMNO-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001273465830 916548745 /nfs/dbraw/zinc/54/87/45/916548745.db2.gz MKTSHUAXIJYMNO-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001485220320 916663346 /nfs/dbraw/zinc/66/33/46/916663346.db2.gz RAJUAHLTILXKRS-QWHCGFSZSA-N 2 2 278.400 1.412 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001568417011 1169279558 /nfs/dbraw/zinc/27/95/58/1169279558.db2.gz QXBKVZFFGSOLSH-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001490553759 927225125 /nfs/dbraw/zinc/22/51/25/927225125.db2.gz YESFZWRQKFLCGL-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001490553759 927225138 /nfs/dbraw/zinc/22/51/38/927225138.db2.gz YESFZWRQKFLCGL-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001273437014 927238345 /nfs/dbraw/zinc/23/83/45/927238345.db2.gz GYDBXLHLMAGGKT-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001273437014 927238360 /nfs/dbraw/zinc/23/83/60/927238360.db2.gz GYDBXLHLMAGGKT-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001281474705 942580662 /nfs/dbraw/zinc/58/06/62/942580662.db2.gz CSLBACZCZIAASC-KGLIPLIRSA-N 2 2 276.384 1.286 10 30 CDEELP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001282504210 942725330 /nfs/dbraw/zinc/72/53/30/942725330.db2.gz KVEKTVSGHPIPRN-CQSZACIVSA-N 2 2 276.384 1.123 10 30 CDEELP C#CCC[N@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001282504210 942725332 /nfs/dbraw/zinc/72/53/32/942725332.db2.gz KVEKTVSGHPIPRN-CQSZACIVSA-N 2 2 276.384 1.123 10 30 CDEELP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282810913 942754422 /nfs/dbraw/zinc/75/44/22/942754422.db2.gz LHCFCMXYBVVDJF-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282810913 942754423 /nfs/dbraw/zinc/75/44/23/942754423.db2.gz LHCFCMXYBVVDJF-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282810913 942754426 /nfs/dbraw/zinc/75/44/26/942754426.db2.gz LHCFCMXYBVVDJF-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282810913 942754429 /nfs/dbraw/zinc/75/44/29/942754429.db2.gz LHCFCMXYBVVDJF-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001265095196 944227724 /nfs/dbraw/zinc/22/77/24/944227724.db2.gz RFFRRKDQWROESX-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265216652 944282482 /nfs/dbraw/zinc/28/24/82/944282482.db2.gz NQOJBJOUTPMRFO-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265216652 944282492 /nfs/dbraw/zinc/28/24/92/944282492.db2.gz NQOJBJOUTPMRFO-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265216652 944282498 /nfs/dbraw/zinc/28/24/98/944282498.db2.gz NQOJBJOUTPMRFO-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265216652 944282507 /nfs/dbraw/zinc/28/25/07/944282507.db2.gz NQOJBJOUTPMRFO-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001279015683 948600603 /nfs/dbraw/zinc/60/06/03/948600603.db2.gz VJJRQSAQRUARMI-GFCCVEGCSA-N 2 2 276.384 1.096 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279039194 948631867 /nfs/dbraw/zinc/63/18/67/948631867.db2.gz SOABKRLSCREPKU-GXTWGEPZSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479965032 971513074 /nfs/dbraw/zinc/51/30/74/971513074.db2.gz ITYLDOIRXLNCJB-KGLIPLIRSA-N 2 2 276.384 1.601 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479965032 971513081 /nfs/dbraw/zinc/51/30/81/971513081.db2.gz ITYLDOIRXLNCJB-KGLIPLIRSA-N 2 2 276.384 1.601 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001480028151 971544338 /nfs/dbraw/zinc/54/43/38/971544338.db2.gz KCBPLFDSHWXMLD-MRXNPFEDSA-N 2 2 296.374 1.684 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001278595471 950340810 /nfs/dbraw/zinc/34/08/10/950340810.db2.gz UKRMGJSWPJCMFD-OLZOCXBDSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480546528 971776933 /nfs/dbraw/zinc/77/69/33/971776933.db2.gz PTUJUIQPROAEGQ-CHWSQXEVSA-N 2 2 264.373 1.505 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001325472359 953917561 /nfs/dbraw/zinc/91/75/61/953917561.db2.gz BQNRGDNYNQFKBL-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001328650584 955395500 /nfs/dbraw/zinc/39/55/00/955395500.db2.gz BPJDGKVJVLNRQW-GJZGRUSLSA-N 2 2 288.395 1.438 10 30 CDEELP C=CC[NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001317253692 957382429 /nfs/dbraw/zinc/38/24/29/957382429.db2.gz PCZZXNMKYVFZIM-NSHDSACASA-N 2 2 258.325 1.228 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001317282832 957403491 /nfs/dbraw/zinc/40/34/91/957403491.db2.gz WZDMIRSYXUMVOI-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=C(C)CC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001318161347 957952311 /nfs/dbraw/zinc/95/23/11/957952311.db2.gz ICUOVCBDYUSIFW-CYBMUJFWSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)CC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001318161347 957952318 /nfs/dbraw/zinc/95/23/18/957952318.db2.gz ICUOVCBDYUSIFW-CYBMUJFWSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001318725954 958247043 /nfs/dbraw/zinc/24/70/43/958247043.db2.gz CDSQIHIXCUCKFX-OAHLLOKOSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001318956087 958320787 /nfs/dbraw/zinc/32/07/87/958320787.db2.gz JZECPMAUDWBQQA-JOCQHMNTSA-N 2 2 276.384 1.545 10 30 CDEELP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001318956087 958320800 /nfs/dbraw/zinc/32/08/00/958320800.db2.gz JZECPMAUDWBQQA-JOCQHMNTSA-N 2 2 276.384 1.545 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001320572413 959247655 /nfs/dbraw/zinc/24/76/55/959247655.db2.gz GSHMXYANWDMSPA-PWSUYJOCSA-N 2 2 298.818 1.825 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001320572413 959247665 /nfs/dbraw/zinc/24/76/65/959247665.db2.gz GSHMXYANWDMSPA-PWSUYJOCSA-N 2 2 298.818 1.825 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001455764047 968800539 /nfs/dbraw/zinc/80/05/39/968800539.db2.gz ABJWZBGMSGRELG-CYBMUJFWSA-N 2 2 276.384 1.808 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001495929054 972705287 /nfs/dbraw/zinc/70/52/87/972705287.db2.gz FVVYDDKECJFPFO-UHFFFAOYSA-N 2 2 296.374 1.600 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001496182504 972828292 /nfs/dbraw/zinc/82/82/92/972828292.db2.gz FKEQTKJOOVQBKL-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001496182504 972828300 /nfs/dbraw/zinc/82/83/00/972828300.db2.gz FKEQTKJOOVQBKL-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569649261 1169954579 /nfs/dbraw/zinc/95/45/79/1169954579.db2.gz DTEZDUBCCSLUKC-SWLSCSKDSA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569649261 1169954587 /nfs/dbraw/zinc/95/45/87/1169954587.db2.gz DTEZDUBCCSLUKC-SWLSCSKDSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001497997600 973603305 /nfs/dbraw/zinc/60/33/05/973603305.db2.gz XMFDKTQKWLHMCD-CYBMUJFWSA-N 2 2 264.373 1.334 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001501084307 974529740 /nfs/dbraw/zinc/52/97/40/974529740.db2.gz TVFPXKORZPZAFH-STQMWFEESA-N 2 2 290.411 1.700 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001503001634 974807245 /nfs/dbraw/zinc/80/72/45/974807245.db2.gz IIBBWAUVDVIYGE-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001503001634 974807251 /nfs/dbraw/zinc/80/72/51/974807251.db2.gz IIBBWAUVDVIYGE-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001506947574 975270460 /nfs/dbraw/zinc/27/04/60/975270460.db2.gz YFKWJQMBYZSSKZ-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001507085990 975331313 /nfs/dbraw/zinc/33/13/13/975331313.db2.gz JMYMKLIWMXYQHV-CABCVRRESA-N 2 2 290.411 1.540 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001507324892 975416117 /nfs/dbraw/zinc/41/61/17/975416117.db2.gz CYZXMYQAKOEPRE-DGCLKSJQSA-N 2 2 262.357 1.107 10 30 CDEELP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001507419669 975462456 /nfs/dbraw/zinc/46/24/56/975462456.db2.gz WPEDSBCKWZBRPK-KBPBESRZSA-N 2 2 288.395 1.158 10 30 CDEELP CC#CC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC001507451621 975474846 /nfs/dbraw/zinc/47/48/46/975474846.db2.gz VRVDYVQKRDCSSI-AWEZNQCLSA-N 2 2 288.395 1.111 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001380684733 976516460 /nfs/dbraw/zinc/51/64/60/976516460.db2.gz WEVPISCREXYHTO-CHWSQXEVSA-N 2 2 296.802 1.462 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001403479663 976976979 /nfs/dbraw/zinc/97/69/79/976976979.db2.gz FVXXCAWBJABATG-NSHDSACASA-N 2 2 270.764 1.120 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001570532575 1170180738 /nfs/dbraw/zinc/18/07/38/1170180738.db2.gz JKOJPWFXYXUOCQ-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001570532575 1170180743 /nfs/dbraw/zinc/18/07/43/1170180743.db2.gz JKOJPWFXYXUOCQ-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001570532575 1170180745 /nfs/dbraw/zinc/18/07/45/1170180745.db2.gz JKOJPWFXYXUOCQ-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001570532575 1170180746 /nfs/dbraw/zinc/18/07/46/1170180746.db2.gz JKOJPWFXYXUOCQ-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600748449 342247296 /nfs/dbraw/zinc/24/72/96/342247296.db2.gz MZVVZVNCUSPDPH-CHWSQXEVSA-N 2 2 265.401 1.504 10 30 CDEELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600748449 342247297 /nfs/dbraw/zinc/24/72/97/342247297.db2.gz MZVVZVNCUSPDPH-CHWSQXEVSA-N 2 2 265.401 1.504 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000610994390 346565532 /nfs/dbraw/zinc/56/55/32/346565532.db2.gz GCTAVEKPGJBUNT-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1C ZINC000610994390 346565534 /nfs/dbraw/zinc/56/55/34/346565534.db2.gz GCTAVEKPGJBUNT-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994390 346565537 /nfs/dbraw/zinc/56/55/37/346565537.db2.gz GCTAVEKPGJBUNT-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1C ZINC000610994390 346565539 /nfs/dbraw/zinc/56/55/39/346565539.db2.gz GCTAVEKPGJBUNT-DOMZBBRYSA-N 2 2 258.369 1.868 10 30 CDEELP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663491 356462797 /nfs/dbraw/zinc/46/27/97/356462797.db2.gz IFBWQCMVQKCLHK-KGLIPLIRSA-N 2 2 296.374 1.661 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943881 364052813 /nfs/dbraw/zinc/05/28/13/364052813.db2.gz DVAMDHRCKNBLOL-SWLSCSKDSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000581943881 364052817 /nfs/dbraw/zinc/05/28/17/364052817.db2.gz DVAMDHRCKNBLOL-SWLSCSKDSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943881 364052823 /nfs/dbraw/zinc/05/28/23/364052823.db2.gz DVAMDHRCKNBLOL-SWLSCSKDSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943881 364052828 /nfs/dbraw/zinc/05/28/28/364052828.db2.gz DVAMDHRCKNBLOL-SWLSCSKDSA-N 2 2 298.394 1.515 10 30 CDEELP C=C(C)C[NH+]1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000631107764 370774715 /nfs/dbraw/zinc/77/47/15/370774715.db2.gz FSZKPZLPWZXEBX-UHFFFAOYSA-N 2 2 262.361 1.045 10 30 CDEELP C=C(C)C[NH+]1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000631107764 370774721 /nfs/dbraw/zinc/77/47/21/370774721.db2.gz FSZKPZLPWZXEBX-UHFFFAOYSA-N 2 2 262.361 1.045 10 30 CDEELP N#Cc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000352838577 374369304 /nfs/dbraw/zinc/36/93/04/374369304.db2.gz FTCBHVQIXFUVTC-JQWIXIFHSA-N 2 2 262.382 1.731 10 30 CDEELP N#Cc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000352838577 374369309 /nfs/dbraw/zinc/36/93/09/374369309.db2.gz FTCBHVQIXFUVTC-JQWIXIFHSA-N 2 2 262.382 1.731 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001662690283 1172581023 /nfs/dbraw/zinc/58/10/23/1172581023.db2.gz FDGUNDRVRRURPM-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000662685696 413310621 /nfs/dbraw/zinc/31/06/21/413310621.db2.gz GOFWQEOPCGXXGQ-GXTWGEPZSA-N 2 2 262.357 1.086 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C ZINC000045310437 175356267 /nfs/dbraw/zinc/35/62/67/175356267.db2.gz ATZSQLDWPFOGTQ-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C ZINC000045310437 175356269 /nfs/dbraw/zinc/35/62/69/175356269.db2.gz ATZSQLDWPFOGTQ-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[N@@H+]1CCOC[C@@H]1C ZINC000045310411 175356481 /nfs/dbraw/zinc/35/64/81/175356481.db2.gz AKYTUCGJBOCWJY-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[N@H+]1CCOC[C@@H]1C ZINC000045310411 175356482 /nfs/dbraw/zinc/35/64/82/175356482.db2.gz AKYTUCGJBOCWJY-UONOGXRCSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@H+](CCOC)C1CC1 ZINC000045316762 175358039 /nfs/dbraw/zinc/35/80/39/175358039.db2.gz UUQRIOINHNJQMO-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[N@@H+](CCOC)C1CC1 ZINC000045316762 175358040 /nfs/dbraw/zinc/35/80/40/175358040.db2.gz UUQRIOINHNJQMO-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP Cc1nc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc[nH+]1 ZINC000294638173 263165444 /nfs/dbraw/zinc/16/54/44/263165444.db2.gz PTPLZRYSDSZWIT-ZIAGYGMSSA-N 2 2 271.368 1.599 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001666991555 1173218045 /nfs/dbraw/zinc/21/80/45/1173218045.db2.gz FROJDOREFRFCOV-JHJVBQTASA-N 2 2 276.384 1.146 10 30 CDEELP C=CC[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669678835 1173585411 /nfs/dbraw/zinc/58/54/11/1173585411.db2.gz YJVMRLBQBNSUKF-RYUDHWBXSA-N 2 2 250.346 1.115 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001669973164 1173639550 /nfs/dbraw/zinc/63/95/50/1173639550.db2.gz FWGJHZCKIXRRIG-DZGCQCFKSA-N 2 2 290.411 1.793 10 30 CDEELP C#CCC[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001673483068 1173863319 /nfs/dbraw/zinc/86/33/19/1173863319.db2.gz KTNMGUITEVZNOY-UHFFFAOYSA-N 2 2 276.384 1.064 10 30 CDEELP C#CCC[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001673483068 1173863323 /nfs/dbraw/zinc/86/33/23/1173863323.db2.gz KTNMGUITEVZNOY-UHFFFAOYSA-N 2 2 276.384 1.064 10 30 CDEELP Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399011697 323880883 /nfs/dbraw/zinc/88/08/83/323880883.db2.gz YFCNKKJTBWMAQV-YUTCNCBUSA-N 2 2 256.353 1.825 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001714569716 1179227040 /nfs/dbraw/zinc/22/70/40/1179227040.db2.gz UBGDZFNPBKKFDR-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001714569716 1179227045 /nfs/dbraw/zinc/22/70/45/1179227045.db2.gz UBGDZFNPBKKFDR-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP CCC[NH2+][C@@](C#N)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000069083868 520029697 /nfs/dbraw/zinc/02/96/97/520029697.db2.gz LFSCQWSMYMADMO-HNNXBMFYSA-N 2 2 266.433 1.542 10 30 CDEELP N#C[C@@]([NH3+])(CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069082406 526503463 /nfs/dbraw/zinc/50/34/63/526503463.db2.gz AJAUGJROLNVKNJ-OAHLLOKOSA-N 2 2 262.401 1.178 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C#CCC[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001483239182 910714402 /nfs/dbraw/zinc/71/44/02/910714402.db2.gz RDLHHKHHAZXWBK-GJZGRUSLSA-N 2 2 290.411 1.588 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483282825 910787382 /nfs/dbraw/zinc/78/73/82/910787382.db2.gz COPKKIFYHAGXKL-OLZOCXBDSA-N 2 2 278.400 1.412 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483935587 915209852 /nfs/dbraw/zinc/20/98/52/915209852.db2.gz UFXPKAJPSPAUNO-UONOGXRCSA-N 2 2 288.395 1.212 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484359600 915663889 /nfs/dbraw/zinc/66/38/89/915663889.db2.gz XCKWNSQEYOXUFX-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001272786514 919278106 /nfs/dbraw/zinc/27/81/06/919278106.db2.gz QZZGSUWGMPLZTP-SHTZXODSSA-N 2 2 290.411 1.724 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001491115060 936859869 /nfs/dbraw/zinc/85/98/69/936859869.db2.gz XNUQFABFHMYETJ-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001491115060 936859871 /nfs/dbraw/zinc/85/98/71/936859871.db2.gz XNUQFABFHMYETJ-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001649466408 1169266940 /nfs/dbraw/zinc/26/69/40/1169266940.db2.gz SEJLGDJUXXCNLI-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001568397239 1169272089 /nfs/dbraw/zinc/27/20/89/1169272089.db2.gz VXWREDWMGKEMGX-AWEZNQCLSA-N 2 2 288.395 1.336 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001493029901 926762954 /nfs/dbraw/zinc/76/29/54/926762954.db2.gz LKXNUBWFFJUWHD-ZDUSSCGKSA-N 2 2 264.373 1.458 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001493029901 926762960 /nfs/dbraw/zinc/76/29/60/926762960.db2.gz LKXNUBWFFJUWHD-ZDUSSCGKSA-N 2 2 264.373 1.458 10 30 CDEELP C#CCC[N@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001568506220 1169337177 /nfs/dbraw/zinc/33/71/77/1169337177.db2.gz GCTQMDZUUIANRR-UHFFFAOYSA-N 2 2 276.384 1.077 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001274842901 931593272 /nfs/dbraw/zinc/59/32/72/931593272.db2.gz FGNIYHHOZINJFS-GFCCVEGCSA-N 2 2 270.336 1.066 10 30 CDEELP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001275129444 931672822 /nfs/dbraw/zinc/67/28/22/931672822.db2.gz VKVJIEXGWUHGBA-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001275129444 931672824 /nfs/dbraw/zinc/67/28/24/931672824.db2.gz VKVJIEXGWUHGBA-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001280275007 942426916 /nfs/dbraw/zinc/42/69/16/942426916.db2.gz VFGJBEAIQIRUGO-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812376 943983013 /nfs/dbraw/zinc/98/30/13/943983013.db2.gz MCXCLDLXQGNRJT-ZDUSSCGKSA-N 2 2 262.357 1.061 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812376 943983017 /nfs/dbraw/zinc/98/30/17/943983017.db2.gz MCXCLDLXQGNRJT-ZDUSSCGKSA-N 2 2 262.357 1.061 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001265095197 944226526 /nfs/dbraw/zinc/22/65/26/944226526.db2.gz RFFRRKDQWROESX-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266120067 944693561 /nfs/dbraw/zinc/69/35/61/944693561.db2.gz SBMHQYKKEQUOFS-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266120067 944693565 /nfs/dbraw/zinc/69/35/65/944693565.db2.gz SBMHQYKKEQUOFS-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480547408 971778549 /nfs/dbraw/zinc/77/85/49/971778549.db2.gz ZZQYMMBWLILUNN-CHWSQXEVSA-N 2 2 264.373 1.505 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001480616255 971810005 /nfs/dbraw/zinc/81/00/05/971810005.db2.gz KJFWHRKOPPKZIQ-KGLIPLIRSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001324631977 953483022 /nfs/dbraw/zinc/48/30/22/953483022.db2.gz ALSAKRXNCDLZKP-CQSZACIVSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001324631977 953483035 /nfs/dbraw/zinc/48/30/35/953483035.db2.gz ALSAKRXNCDLZKP-CQSZACIVSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001325472354 953918477 /nfs/dbraw/zinc/91/84/77/953918477.db2.gz BQNRGDNYNQFKBL-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001325541596 953952441 /nfs/dbraw/zinc/95/24/41/953952441.db2.gz BZNAJEOGQLUFNO-UONOGXRCSA-N 2 2 290.411 1.223 10 30 CDEELP C#CCC[NH2+][C@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001492055257 955595387 /nfs/dbraw/zinc/59/53/87/955595387.db2.gz BVHNVSXCTOULGC-CYBMUJFWSA-N 2 2 284.363 1.456 10 30 CDEELP C#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001493846348 972124528 /nfs/dbraw/zinc/12/45/28/972124528.db2.gz FJPOOFVMHCPNOS-LBPRGKRZSA-N 2 2 288.395 1.111 10 30 CDEELP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001330624422 956522967 /nfs/dbraw/zinc/52/29/67/956522967.db2.gz MNXXXWTXFCMQCF-JOCQHMNTSA-N 2 2 282.347 1.066 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317167470 957315792 /nfs/dbraw/zinc/31/57/92/957315792.db2.gz USESJYRYXSIKET-KBPBESRZSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317167470 957315798 /nfs/dbraw/zinc/31/57/98/957315798.db2.gz USESJYRYXSIKET-KBPBESRZSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317482587 957504748 /nfs/dbraw/zinc/50/47/48/957504748.db2.gz UPYOBGQIGAURKC-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317482587 957504750 /nfs/dbraw/zinc/50/47/50/957504750.db2.gz UPYOBGQIGAURKC-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001318756512 958258020 /nfs/dbraw/zinc/25/80/20/958258020.db2.gz CTNHULKEWISIMT-GOEBONIOSA-N 2 2 290.411 1.724 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001494914983 972335872 /nfs/dbraw/zinc/33/58/72/972335872.db2.gz YKGSJGMRYMCTAC-ZDUSSCGKSA-N 2 2 262.357 1.061 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001494914983 972335877 /nfs/dbraw/zinc/33/58/77/972335877.db2.gz YKGSJGMRYMCTAC-ZDUSSCGKSA-N 2 2 262.357 1.061 10 30 CDEELP CC#CC[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320055758 958908623 /nfs/dbraw/zinc/90/86/23/958908623.db2.gz RVVXNFZGRZTMBK-AWEZNQCLSA-N 2 2 276.384 1.248 10 30 CDEELP CC#CC[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320055758 958908640 /nfs/dbraw/zinc/90/86/40/958908640.db2.gz RVVXNFZGRZTMBK-AWEZNQCLSA-N 2 2 276.384 1.248 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001569321677 1169764420 /nfs/dbraw/zinc/76/44/20/1169764420.db2.gz TWBRWMXBJVHNTI-HIFRSBDPSA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001495377664 972484358 /nfs/dbraw/zinc/48/43/58/972484358.db2.gz FTSGSSNMDQKINK-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323276156 960605988 /nfs/dbraw/zinc/60/59/88/960605988.db2.gz DRYPSVINJQGFNL-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323276156 960606002 /nfs/dbraw/zinc/60/60/02/960606002.db2.gz DRYPSVINJQGFNL-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001323342176 960664591 /nfs/dbraw/zinc/66/45/91/960664591.db2.gz YNJLWZNYFBDXBW-GFCCVEGCSA-N 2 2 262.357 1.027 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001323342176 960664598 /nfs/dbraw/zinc/66/45/98/960664598.db2.gz YNJLWZNYFBDXBW-GFCCVEGCSA-N 2 2 262.357 1.027 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001324261405 961268658 /nfs/dbraw/zinc/26/86/58/961268658.db2.gz BZUKDMPGBMYCOT-AWEZNQCLSA-N 2 2 290.411 1.807 10 30 CDEELP C#CC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001569576008 1169929013 /nfs/dbraw/zinc/92/90/13/1169929013.db2.gz GKZWCILMRHOXDF-CQSZACIVSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001373512231 973474717 /nfs/dbraw/zinc/47/47/17/973474717.db2.gz CZXIIOLFXBNRNB-CQSZACIVSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001373512231 973474721 /nfs/dbraw/zinc/47/47/21/973474721.db2.gz CZXIIOLFXBNRNB-CQSZACIVSA-N 2 2 299.846 1.661 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001501959774 974664035 /nfs/dbraw/zinc/66/40/35/974664035.db2.gz AACNBKPHMGGLMO-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001501959774 974664040 /nfs/dbraw/zinc/66/40/40/974664040.db2.gz AACNBKPHMGGLMO-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001502753763 974776094 /nfs/dbraw/zinc/77/60/94/974776094.db2.gz FVMNHZQZMQPXMF-DZGCQCFKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001505459224 974887709 /nfs/dbraw/zinc/88/77/09/974887709.db2.gz MKLAROGHAVCGGA-HNNXBMFYSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001505459224 974887713 /nfs/dbraw/zinc/88/77/13/974887713.db2.gz MKLAROGHAVCGGA-HNNXBMFYSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001378078318 975232866 /nfs/dbraw/zinc/23/28/66/975232866.db2.gz XPDVFKALSVPKBG-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001378078318 975232872 /nfs/dbraw/zinc/23/28/72/975232872.db2.gz XPDVFKALSVPKBG-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001378078318 975232878 /nfs/dbraw/zinc/23/28/78/975232878.db2.gz XPDVFKALSVPKBG-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001378078318 975232886 /nfs/dbraw/zinc/23/28/86/975232886.db2.gz XPDVFKALSVPKBG-QWHCGFSZSA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001403233495 976829953 /nfs/dbraw/zinc/82/99/53/976829953.db2.gz YEWGTUNNBPQHMK-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001403233495 976829962 /nfs/dbraw/zinc/82/99/62/976829962.db2.gz YEWGTUNNBPQHMK-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001403233495 976829978 /nfs/dbraw/zinc/82/99/78/976829978.db2.gz YEWGTUNNBPQHMK-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001403233495 976829985 /nfs/dbraw/zinc/82/99/85/976829985.db2.gz YEWGTUNNBPQHMK-GFCCVEGCSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001393991989 977999326 /nfs/dbraw/zinc/99/93/26/977999326.db2.gz WIMIYDLXQNXSCG-VHSXEESVSA-N 2 2 270.764 1.188 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001674687270 1173988573 /nfs/dbraw/zinc/98/85/73/1173988573.db2.gz OFNAOIGXOXLQMJ-KBPBESRZSA-N 2 2 290.411 1.433 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001570436748 1170158637 /nfs/dbraw/zinc/15/86/37/1170158637.db2.gz DJPAVADFFQYYMW-UONOGXRCSA-N 2 2 288.395 1.335 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001570436748 1170158644 /nfs/dbraw/zinc/15/86/44/1170158644.db2.gz DJPAVADFFQYYMW-UONOGXRCSA-N 2 2 288.395 1.335 10 30 CDEELP CN(CCC[N@H+](C)Cc1ccncc1C#N)CC[NH+](C)C ZINC000592123651 342666843 /nfs/dbraw/zinc/66/68/43/342666843.db2.gz XBIUPMCAPQSCGQ-UHFFFAOYSA-N 2 2 289.427 1.269 10 30 CDEELP CN(CCC[N@@H+](C)Cc1ccncc1C#N)CC[NH+](C)C ZINC000592123651 342666844 /nfs/dbraw/zinc/66/68/44/342666844.db2.gz XBIUPMCAPQSCGQ-UHFFFAOYSA-N 2 2 289.427 1.269 10 30 CDEELP CC#CC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087997 342301030 /nfs/dbraw/zinc/30/10/30/342301030.db2.gz ITRGPYPPUKPVAH-UHFFFAOYSA-N 2 2 250.386 1.587 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449396014 374809067 /nfs/dbraw/zinc/80/90/67/374809067.db2.gz RBJYEDHGMHDMLS-INIZCTEOSA-N 2 2 273.380 1.495 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449396014 374809071 /nfs/dbraw/zinc/80/90/71/374809071.db2.gz RBJYEDHGMHDMLS-INIZCTEOSA-N 2 2 273.380 1.495 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000655938517 412955958 /nfs/dbraw/zinc/95/59/58/412955958.db2.gz WTPVKYGWEADRTQ-NWANDNLSSA-N 2 2 275.400 1.413 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000655938517 412955971 /nfs/dbraw/zinc/95/59/71/412955971.db2.gz WTPVKYGWEADRTQ-NWANDNLSSA-N 2 2 275.400 1.413 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001665682038 1173034828 /nfs/dbraw/zinc/03/48/28/1173034828.db2.gz SRTMJRQGCFVGPB-HNNXBMFYSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001665682038 1173034834 /nfs/dbraw/zinc/03/48/34/1173034834.db2.gz SRTMJRQGCFVGPB-HNNXBMFYSA-N 2 2 290.411 1.462 10 30 CDEELP N#C[C@]1(N2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000020596087 171264908 /nfs/dbraw/zinc/26/49/08/171264908.db2.gz IROLWLOOXLLQMK-MRXNPFEDSA-N 2 2 270.380 1.060 10 30 CDEELP N#C[C@]1(N2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000020596087 171264910 /nfs/dbraw/zinc/26/49/10/171264910.db2.gz IROLWLOOXLLQMK-MRXNPFEDSA-N 2 2 270.380 1.060 10 30 CDEELP C=CCCn1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)nn1 ZINC000657488916 414386715 /nfs/dbraw/zinc/38/67/15/414386715.db2.gz XNLXFSSTSDTAQA-UHFFFAOYSA-N 2 2 282.351 1.792 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040490868 174291942 /nfs/dbraw/zinc/29/19/42/174291942.db2.gz GBBYJBYQHFSFKD-ILXRZTDVSA-N 2 2 277.412 1.237 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689861 424432022 /nfs/dbraw/zinc/43/20/22/424432022.db2.gz SBPPMAUDIBABLQ-ZFWWWQNUSA-N 2 2 268.401 1.109 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689861 424432029 /nfs/dbraw/zinc/43/20/29/424432029.db2.gz SBPPMAUDIBABLQ-ZFWWWQNUSA-N 2 2 268.401 1.109 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251550530 483050884 /nfs/dbraw/zinc/05/08/84/483050884.db2.gz MXHKGKNLEMMSJU-BFHYXJOUSA-N 2 2 265.401 1.141 10 30 CDEELP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251550530 483050887 /nfs/dbraw/zinc/05/08/87/483050887.db2.gz MXHKGKNLEMMSJU-BFHYXJOUSA-N 2 2 265.401 1.141 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081110 522404811 /nfs/dbraw/zinc/40/48/11/522404811.db2.gz NAVDUNVVRRJUJC-OAHLLOKOSA-N 2 2 266.433 1.542 10 30 CDEELP CCC[NH2+][C@](C#N)(CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000069082618 520099288 /nfs/dbraw/zinc/09/92/88/520099288.db2.gz FNMWKUWFMDILAP-HZPDHXFCSA-N 2 2 278.444 1.684 10 30 CDEELP CC[NH2+][C@@](C#N)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000069083864 520126559 /nfs/dbraw/zinc/12/65/59/520126559.db2.gz QNUCAPIQTWWDQI-AWEZNQCLSA-N 2 2 252.406 1.152 10 30 CDEELP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939541540 613349841 /nfs/dbraw/zinc/34/98/41/613349841.db2.gz OJCZNPNKACDHQO-QWHCGFSZSA-N 2 2 290.411 1.700 10 30 CDEELP N#CCc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925708516 617798399 /nfs/dbraw/zinc/79/83/99/617798399.db2.gz UAIQLSYNFVOIES-DMRKSPOLSA-N 2 2 267.376 1.839 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900540572 623221140 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C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001669846061 1173619151 /nfs/dbraw/zinc/61/91/51/1173619151.db2.gz QNGOGYKCJICDLJ-CYBMUJFWSA-N 2 2 284.363 1.408 10 30 CDEELP C#CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001669846061 1173619152 /nfs/dbraw/zinc/61/91/52/1173619152.db2.gz QNGOGYKCJICDLJ-CYBMUJFWSA-N 2 2 284.363 1.408 10 30 CDEELP C=CCC[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001676052881 1174177843 /nfs/dbraw/zinc/17/78/43/1174177843.db2.gz ZAUALCBKYRXJFQ-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001676052881 1174177844 /nfs/dbraw/zinc/17/78/44/1174177844.db2.gz ZAUALCBKYRXJFQ-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001676052881 1174177847 /nfs/dbraw/zinc/17/78/47/1174177847.db2.gz ZAUALCBKYRXJFQ-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001676052881 1174177850 /nfs/dbraw/zinc/17/78/50/1174177850.db2.gz ZAUALCBKYRXJFQ-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001681663482 1174591125 /nfs/dbraw/zinc/59/11/25/1174591125.db2.gz LYHGBJHGMCREFG-AWEZNQCLSA-N 2 2 290.411 1.727 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001690345503 1175444608 /nfs/dbraw/zinc/44/46/08/1175444608.db2.gz VCAZSDTYWQSPCX-MCIONIFRSA-N 2 2 288.395 1.258 10 30 CDEELP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001690594203 1175514845 /nfs/dbraw/zinc/51/48/45/1175514845.db2.gz RPXHJMBWGAZQQQ-STQMWFEESA-N 2 2 276.384 1.116 10 30 CDEELP C#CC[NH2+]C[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001698748267 1175916211 /nfs/dbraw/zinc/91/62/11/1175916211.db2.gz KOZCIMXQDFCVQQ-LBPRGKRZSA-N 2 2 284.363 1.231 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001698890900 1175978967 /nfs/dbraw/zinc/97/89/67/1175978967.db2.gz HQVGGXVJCAWAGX-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001699888748 1176669618 /nfs/dbraw/zinc/66/96/18/1176669618.db2.gz UKCWXPRLBPWKCL-GFCCVEGCSA-N 2 2 298.337 1.143 10 30 CDEELP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001699888748 1176669620 /nfs/dbraw/zinc/66/96/20/1176669620.db2.gz UKCWXPRLBPWKCL-GFCCVEGCSA-N 2 2 298.337 1.143 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001700091249 1176745216 /nfs/dbraw/zinc/74/52/16/1176745216.db2.gz WNJCYLAPVZNKSO-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001700194138 1176792439 /nfs/dbraw/zinc/79/24/39/1176792439.db2.gz JZRIYAYZOKKKPS-UHFFFAOYSA-N 2 2 292.427 1.709 10 30 CDEELP C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001700194138 1176792444 /nfs/dbraw/zinc/79/24/44/1176792444.db2.gz JZRIYAYZOKKKPS-UHFFFAOYSA-N 2 2 292.427 1.709 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001700752691 1177113905 /nfs/dbraw/zinc/11/39/05/1177113905.db2.gz PRSOWTKQFFOPKP-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001700752691 1177113910 /nfs/dbraw/zinc/11/39/10/1177113910.db2.gz PRSOWTKQFFOPKP-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001700875790 1177172845 /nfs/dbraw/zinc/17/28/45/1177172845.db2.gz JIEOSXWQCBFNET-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001700875790 1177172848 /nfs/dbraw/zinc/17/28/48/1177172848.db2.gz JIEOSXWQCBFNET-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001701025121 1177244254 /nfs/dbraw/zinc/24/42/54/1177244254.db2.gz CPQDSSHVOJCTQK-DNOWBOINSA-N 2 2 288.395 1.191 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001701025121 1177244265 /nfs/dbraw/zinc/24/42/65/1177244265.db2.gz CPQDSSHVOJCTQK-DNOWBOINSA-N 2 2 288.395 1.191 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001707411405 1178026941 /nfs/dbraw/zinc/02/69/41/1178026941.db2.gz JVWRJBHFBOTNQV-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001707411405 1178026949 /nfs/dbraw/zinc/02/69/49/1178026949.db2.gz JVWRJBHFBOTNQV-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001714239258 1179039812 /nfs/dbraw/zinc/03/98/12/1179039812.db2.gz LZWXQVQWTQKSNM-AWEZNQCLSA-N 2 2 276.384 1.287 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001714510038 1179177654 /nfs/dbraw/zinc/17/76/54/1179177654.db2.gz FWXVXADJYRZSRH-UHFFFAOYSA-N 2 2 290.411 1.855 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001715457605 1179672268 /nfs/dbraw/zinc/67/22/68/1179672268.db2.gz HZJRASNKXNHLMY-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001716030236 1180006406 /nfs/dbraw/zinc/00/64/06/1180006406.db2.gz NYMNDLBDESYSDH-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001716030236 1180006415 /nfs/dbraw/zinc/00/64/15/1180006415.db2.gz NYMNDLBDESYSDH-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001716439313 1180211048 /nfs/dbraw/zinc/21/10/48/1180211048.db2.gz JJWFVBHJHKGWRS-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001716439313 1180211053 /nfs/dbraw/zinc/21/10/53/1180211053.db2.gz JJWFVBHJHKGWRS-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001716484057 1180246157 /nfs/dbraw/zinc/24/61/57/1180246157.db2.gz SBUAVTCBHRWHQM-AWEZNQCLSA-N 2 2 292.427 1.939 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001716484057 1180246162 /nfs/dbraw/zinc/24/61/62/1180246162.db2.gz SBUAVTCBHRWHQM-AWEZNQCLSA-N 2 2 292.427 1.939 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001716520760 1180265514 /nfs/dbraw/zinc/26/55/14/1180265514.db2.gz NOSOZJIXCVIFLJ-GJZGRUSLSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001717240643 1180587407 /nfs/dbraw/zinc/58/74/07/1180587407.db2.gz FAPKCRVWJNVKPG-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001717412677 1180659459 /nfs/dbraw/zinc/65/94/59/1180659459.db2.gz JSRDNIFUCSPYGM-QWRGUYRKSA-N 2 2 250.346 1.011 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001717412677 1180659463 /nfs/dbraw/zinc/65/94/63/1180659463.db2.gz JSRDNIFUCSPYGM-QWRGUYRKSA-N 2 2 250.346 1.011 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001717817598 1180876139 /nfs/dbraw/zinc/87/61/39/1180876139.db2.gz IXJYEEPGKSEXCG-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001717872781 1180906588 /nfs/dbraw/zinc/90/65/88/1180906588.db2.gz LAFGIHVDUTZEER-UONOGXRCSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001717872781 1180906595 /nfs/dbraw/zinc/90/65/95/1180906595.db2.gz LAFGIHVDUTZEER-UONOGXRCSA-N 2 2 288.395 1.240 10 30 CDEELP C=CCC[NH+]1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001723826776 1181609116 /nfs/dbraw/zinc/60/91/16/1181609116.db2.gz PHZSEQYYQDNBMD-UHFFFAOYSA-N 2 2 276.384 1.382 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001723984723 1181628859 /nfs/dbraw/zinc/62/88/59/1181628859.db2.gz OPNQVVHNXGYOIN-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001724852075 1181774953 /nfs/dbraw/zinc/77/49/53/1181774953.db2.gz OGHIFSFZVDQLHE-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001724852075 1181774948 /nfs/dbraw/zinc/77/49/48/1181774948.db2.gz OGHIFSFZVDQLHE-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001725463698 1182008914 /nfs/dbraw/zinc/00/89/14/1182008914.db2.gz RDNOVZQAGUQYSV-OAHLLOKOSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001732348324 1182919715 /nfs/dbraw/zinc/91/97/15/1182919715.db2.gz DMNZYYGEVHFNCQ-ZIAGYGMSSA-N 2 2 290.411 1.364 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733225995 1183350952 /nfs/dbraw/zinc/35/09/52/1183350952.db2.gz LXFMQMNVMFSOGN-LSDHHAIUSA-N 2 2 277.412 1.075 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733225995 1183350958 /nfs/dbraw/zinc/35/09/58/1183350958.db2.gz LXFMQMNVMFSOGN-LSDHHAIUSA-N 2 2 277.412 1.075 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001734002931 1183610914 /nfs/dbraw/zinc/61/09/14/1183610914.db2.gz BFTLDEJOJSLISY-QWRGUYRKSA-N 2 2 264.373 1.320 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@@H+]1C ZINC000929783671 729337770 /nfs/dbraw/zinc/33/77/70/729337770.db2.gz XXUIDSOIPJSCPC-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@H+]1C ZINC000929783671 729337774 /nfs/dbraw/zinc/33/77/74/729337774.db2.gz XXUIDSOIPJSCPC-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([N@H+](C)Cc2cncc(C#N)c2)CC[NH+]1C ZINC000929783671 729337776 /nfs/dbraw/zinc/33/77/76/729337776.db2.gz XXUIDSOIPJSCPC-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)CC[NH+]1C ZINC000929783671 729337778 /nfs/dbraw/zinc/33/77/78/729337778.db2.gz XXUIDSOIPJSCPC-IUODEOHRSA-N 2 2 258.369 1.868 10 30 CDEELP COc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1C#N ZINC000703562606 728841971 /nfs/dbraw/zinc/84/19/71/728841971.db2.gz RHQKIOWUODPZAF-GOEBONIOSA-N 2 2 271.364 1.608 10 30 CDEELP COc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1C#N ZINC000703562606 728841972 /nfs/dbraw/zinc/84/19/72/728841972.db2.gz RHQKIOWUODPZAF-GOEBONIOSA-N 2 2 271.364 1.608 10 30 CDEELP N#Cc1ccc(NCC[NH2+][C@@H]2CC[NH2+]C23CCC3)nc1 ZINC000925893694 729455887 /nfs/dbraw/zinc/45/58/87/729455887.db2.gz QCVGTEIYSBVPRX-CYBMUJFWSA-N 2 2 271.368 1.239 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001566940029 1168475927 /nfs/dbraw/zinc/47/59/27/1168475927.db2.gz VLQADWJRXDSQSC-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001566940029 1168475931 /nfs/dbraw/zinc/47/59/31/1168475931.db2.gz VLQADWJRXDSQSC-CQSZACIVSA-N 2 2 276.384 1.499 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267993503 900216349 /nfs/dbraw/zinc/21/63/49/900216349.db2.gz YTZFWLDYQUSVPT-KGLIPLIRSA-N 2 2 290.411 1.364 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC001268226593 901602616 /nfs/dbraw/zinc/60/26/16/901602616.db2.gz LDCWEFLPUOHELM-CQSZACIVSA-N 2 2 278.400 1.269 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481744452 901999951 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916145251 /nfs/dbraw/zinc/14/52/51/916145251.db2.gz HYPDVRLWZCAVNJ-AWEZNQCLSA-N 2 2 290.411 1.392 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490901465 936675387 /nfs/dbraw/zinc/67/53/87/936675387.db2.gz AQGBAFRELYKMQX-JOCQHMNTSA-N 2 2 282.347 1.437 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274208303 931234562 /nfs/dbraw/zinc/23/45/62/931234562.db2.gz KNFPXDPJFLJSQV-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274208303 931234572 /nfs/dbraw/zinc/23/45/72/931234572.db2.gz KNFPXDPJFLJSQV-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001275665352 931942932 /nfs/dbraw/zinc/94/29/32/931942932.db2.gz HQTNRMVOLVGAOL-ZIAGYGMSSA-N 2 2 278.400 1.847 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001275665352 931942938 /nfs/dbraw/zinc/94/29/38/931942938.db2.gz HQTNRMVOLVGAOL-ZIAGYGMSSA-N 2 2 278.400 1.847 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273455973 932853122 /nfs/dbraw/zinc/85/31/22/932853122.db2.gz CSYHUYAAMXJSSQ-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273455973 932853124 /nfs/dbraw/zinc/85/31/24/932853124.db2.gz CSYHUYAAMXJSSQ-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273455973 932853127 /nfs/dbraw/zinc/85/31/27/932853127.db2.gz CSYHUYAAMXJSSQ-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273455973 932853129 /nfs/dbraw/zinc/85/31/29/932853129.db2.gz CSYHUYAAMXJSSQ-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP N#CC1(c2ccccc2)CC([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC001118546911 937638736 /nfs/dbraw/zinc/63/87/36/937638736.db2.gz SVVCXVKGOQHJJS-UHFFFAOYSA-N 2 2 267.376 1.952 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001281868545 942626701 /nfs/dbraw/zinc/62/67/01/942626701.db2.gz SDJPSFIWVWINHT-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001281868545 942626703 /nfs/dbraw/zinc/62/67/03/942626703.db2.gz SDJPSFIWVWINHT-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001277654605 943253871 /nfs/dbraw/zinc/25/38/71/943253871.db2.gz AWKIFBCPGSOHPX-OAHLLOKOSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001277654605 943253875 /nfs/dbraw/zinc/25/38/75/943253875.db2.gz AWKIFBCPGSOHPX-OAHLLOKOSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001284976365 943304488 /nfs/dbraw/zinc/30/44/88/943304488.db2.gz FQJPUAVDWHJWBT-CQSZACIVSA-N 2 2 299.846 1.827 10 30 CDEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001284976365 943304490 /nfs/dbraw/zinc/30/44/90/943304490.db2.gz FQJPUAVDWHJWBT-CQSZACIVSA-N 2 2 299.846 1.827 10 30 CDEELP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001277785252 943591402 /nfs/dbraw/zinc/59/14/02/943591402.db2.gz GVROAHNPEGSJQG-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001263957865 944044244 /nfs/dbraw/zinc/04/42/44/944044244.db2.gz JSVPCOFGSJNOEP-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266155177 944720503 /nfs/dbraw/zinc/72/05/03/944720503.db2.gz KCLAWWZBFCLIAO-LBPRGKRZSA-N 2 2 284.363 1.684 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC=C)C1 ZINC001479954956 971506042 /nfs/dbraw/zinc/50/60/42/971506042.db2.gz HGMAOMDIBXZGNT-HOTGVXAUSA-N 2 2 289.423 1.241 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC=C)C1 ZINC001479954956 971506048 /nfs/dbraw/zinc/50/60/48/971506048.db2.gz HGMAOMDIBXZGNT-HOTGVXAUSA-N 2 2 289.423 1.241 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC=C)C1 ZINC001479954956 971506052 /nfs/dbraw/zinc/50/60/52/971506052.db2.gz HGMAOMDIBXZGNT-HOTGVXAUSA-N 2 2 289.423 1.241 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC=C)C1 ZINC001479954956 971506058 /nfs/dbraw/zinc/50/60/58/971506058.db2.gz HGMAOMDIBXZGNT-HOTGVXAUSA-N 2 2 289.423 1.241 10 30 CDEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569123586 1169670982 /nfs/dbraw/zinc/67/09/82/1169670982.db2.gz ZCBASPXUKCIWGB-MGPQQGTHSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569123586 1169670989 /nfs/dbraw/zinc/67/09/89/1169670989.db2.gz ZCBASPXUKCIWGB-MGPQQGTHSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569123586 1169670997 /nfs/dbraw/zinc/67/09/97/1169670997.db2.gz ZCBASPXUKCIWGB-MGPQQGTHSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569123586 1169671009 /nfs/dbraw/zinc/67/10/09/1169671009.db2.gz ZCBASPXUKCIWGB-MGPQQGTHSA-N 2 2 290.411 1.916 10 30 CDEELP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480696806 971842597 /nfs/dbraw/zinc/84/25/97/971842597.db2.gz JSJKOEOLDQQPFV-UONOGXRCSA-N 2 2 290.411 1.935 10 30 CDEELP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480696806 971842600 /nfs/dbraw/zinc/84/26/00/971842600.db2.gz JSJKOEOLDQQPFV-UONOGXRCSA-N 2 2 290.411 1.935 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001331347113 956981304 /nfs/dbraw/zinc/98/13/04/956981304.db2.gz MQNQQNSTXJECGZ-HNNXBMFYSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317482874 957504995 /nfs/dbraw/zinc/50/49/95/957504995.db2.gz XQQADJIYTMZNCS-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317482874 957505001 /nfs/dbraw/zinc/50/50/01/957505001.db2.gz XQQADJIYTMZNCS-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001318479537 958128130 /nfs/dbraw/zinc/12/81/30/958128130.db2.gz RAGRWROJTHBEIU-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001318479537 958128137 /nfs/dbraw/zinc/12/81/37/958128137.db2.gz RAGRWROJTHBEIU-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001367679530 958204762 /nfs/dbraw/zinc/20/47/62/958204762.db2.gz LTHFSVCIOQXPDT-LLVKDONJSA-N 2 2 298.818 1.773 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001318665101 958219430 /nfs/dbraw/zinc/21/94/30/958219430.db2.gz RKJLCERZQLQIBI-UHFFFAOYSA-N 2 2 276.384 1.167 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001367744492 958292374 /nfs/dbraw/zinc/29/23/74/958292374.db2.gz YDFCZAMZMPOQRO-RYUDHWBXSA-N 2 2 296.802 1.292 10 30 CDEELP CC#CC[NH2+]C[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319184794 958419991 /nfs/dbraw/zinc/41/99/91/958419991.db2.gz DLMHOSNQWRRPTQ-ZDUSSCGKSA-N 2 2 298.390 1.622 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321124444 959605316 /nfs/dbraw/zinc/60/53/16/959605316.db2.gz GIEWQJCSKGQGQT-VQTKUKTRSA-N 2 2 288.395 1.284 10 30 CDEELP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1 ZINC001419262937 961564470 /nfs/dbraw/zinc/56/44/70/961564470.db2.gz AECIYJVSHDSTBX-LLVKDONJSA-N 2 2 270.764 1.120 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001349646817 966417874 /nfs/dbraw/zinc/41/78/74/966417874.db2.gz OZQGLEHNAUSHGM-KBPBESRZSA-N 2 2 291.395 1.792 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001349646817 966417881 /nfs/dbraw/zinc/41/78/81/966417881.db2.gz OZQGLEHNAUSHGM-KBPBESRZSA-N 2 2 291.395 1.792 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001349646818 966418452 /nfs/dbraw/zinc/41/84/52/966418452.db2.gz OZQGLEHNAUSHGM-KGLIPLIRSA-N 2 2 291.395 1.792 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001349646818 966418457 /nfs/dbraw/zinc/41/84/57/966418457.db2.gz OZQGLEHNAUSHGM-KGLIPLIRSA-N 2 2 291.395 1.792 10 30 CDEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001499420758 974252190 /nfs/dbraw/zinc/25/21/90/974252190.db2.gz IURYCJWUDWQWFJ-ZDUSSCGKSA-N 2 2 290.411 1.556 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001499862161 974317179 /nfs/dbraw/zinc/31/71/79/974317179.db2.gz QWDDKHNMMUUPKD-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001501632280 974612473 /nfs/dbraw/zinc/61/24/73/974612473.db2.gz OAIWDKBIQDXVLR-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001507011316 975293847 /nfs/dbraw/zinc/29/38/47/975293847.db2.gz LYSOKDUFSYUGGL-NFAWXSAZSA-N 2 2 288.395 1.526 10 30 CDEELP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001507011316 975293849 /nfs/dbraw/zinc/29/38/49/975293849.db2.gz LYSOKDUFSYUGGL-NFAWXSAZSA-N 2 2 288.395 1.526 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001508027834 975577635 /nfs/dbraw/zinc/57/76/35/975577635.db2.gz MHIBHZYFBKCLNJ-CYBMUJFWSA-N 2 2 276.384 1.014 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001674486694 1173953870 /nfs/dbraw/zinc/95/38/70/1173953870.db2.gz OPEVVBGXPYTXRW-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001674486694 1173953873 /nfs/dbraw/zinc/95/38/73/1173953873.db2.gz OPEVVBGXPYTXRW-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001676391872 1174218301 /nfs/dbraw/zinc/21/83/01/1174218301.db2.gz PRMYGJIFJSAQRN-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001677286227 1174344861 /nfs/dbraw/zinc/34/48/61/1174344861.db2.gz CGGYENOFUPRTLU-ZDUSSCGKSA-N 2 2 278.400 1.649 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H](CC)Cn2cncn2)CC1 ZINC000438835121 361767890 /nfs/dbraw/zinc/76/78/90/361767890.db2.gz KFSNMRGHSDEWFX-ZDUSSCGKSA-N 2 2 263.389 1.297 10 30 CDEELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729473 342245732 /nfs/dbraw/zinc/24/57/32/342245732.db2.gz HGOOQPZQFZCOGY-XBFCOCLRSA-N 2 2 263.385 1.113 10 30 CDEELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729473 342245733 /nfs/dbraw/zinc/24/57/33/342245733.db2.gz HGOOQPZQFZCOGY-XBFCOCLRSA-N 2 2 263.385 1.113 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000600739380 342246620 /nfs/dbraw/zinc/24/66/20/342246620.db2.gz BWNACQFXLUAGHB-ZDUSSCGKSA-N 2 2 274.368 1.364 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657875669 539112544 /nfs/dbraw/zinc/11/25/44/539112544.db2.gz NXLOQXAOKZZCOM-CQSZACIVSA-N 2 2 250.386 1.938 10 30 CDEELP C=CCC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088395 342301141 /nfs/dbraw/zinc/30/11/41/342301141.db2.gz WHPRESVIKSDQTM-MRXNPFEDSA-N 2 2 296.455 1.890 10 30 CDEELP C[C@]1(C#N)CC[NH+](CCOCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839881 343172639 /nfs/dbraw/zinc/17/26/39/343172639.db2.gz JKCXKFFADWULAI-HZPDHXFCSA-N 2 2 290.411 1.474 10 30 CDEELP C[C@]1(C#N)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839881 343172641 /nfs/dbraw/zinc/17/26/41/343172641.db2.gz JKCXKFFADWULAI-HZPDHXFCSA-N 2 2 290.411 1.474 10 30 CDEELP N#Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864641 343175211 /nfs/dbraw/zinc/17/52/11/343175211.db2.gz VAEIJOUGBPPVIQ-QGZVFWFLSA-N 2 2 285.391 1.589 10 30 CDEELP N#Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864641 343175213 /nfs/dbraw/zinc/17/52/13/343175213.db2.gz VAEIJOUGBPPVIQ-QGZVFWFLSA-N 2 2 285.391 1.589 10 30 CDEELP COc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1C#N ZINC000597205882 343474179 /nfs/dbraw/zinc/47/41/79/343474179.db2.gz LYSFTAPMMPVPNF-UHFFFAOYSA-N 2 2 259.353 1.560 10 30 CDEELP COc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1C#N ZINC000597205882 343474180 /nfs/dbraw/zinc/47/41/80/343474180.db2.gz LYSFTAPMMPVPNF-UHFFFAOYSA-N 2 2 259.353 1.560 10 30 CDEELP N#Cc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422969305 374366185 /nfs/dbraw/zinc/36/61/85/374366185.db2.gz ZQUBXGBIZOZRGK-HZPDHXFCSA-N 2 2 271.364 1.415 10 30 CDEELP Cc1cc(NC[C@H]2CC[NH2+]CC2(F)F)c(C#N)c[nH+]1 ZINC000424415710 374412765 /nfs/dbraw/zinc/41/27/65/374412765.db2.gz TUFPYZVHDRZBCN-LLVKDONJSA-N 2 2 266.295 1.340 10 30 CDEELP N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449389070 374805765 /nfs/dbraw/zinc/80/57/65/374805765.db2.gz BVMIPJWPIWIECD-INIZCTEOSA-N 2 2 273.380 1.495 10 30 CDEELP N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449389070 374805768 /nfs/dbraw/zinc/80/57/68/374805768.db2.gz BVMIPJWPIWIECD-INIZCTEOSA-N 2 2 273.380 1.495 10 30 CDEELP Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000132927832 375639699 /nfs/dbraw/zinc/63/96/99/375639699.db2.gz RGDVUGHADWAHBD-CQSZACIVSA-N 2 2 262.357 1.295 10 30 CDEELP C#CC[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069666545 378501208 /nfs/dbraw/zinc/50/12/08/378501208.db2.gz ZXKXHJLGRLWAGZ-UHFFFAOYSA-N 2 2 254.337 1.708 10 30 CDEELP C#CC[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069666545 378501217 /nfs/dbraw/zinc/50/12/17/378501217.db2.gz ZXKXHJLGRLWAGZ-UHFFFAOYSA-N 2 2 254.337 1.708 10 30 CDEELP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C#N)c(C)[nH+]1 ZINC000302855507 392751462 /nfs/dbraw/zinc/75/14/62/392751462.db2.gz LGSJFRQCIBMTGD-BETUJISGSA-N 2 2 256.353 1.568 10 30 CDEELP Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C#N)c(C)[nH+]1 ZINC000302855507 392751468 /nfs/dbraw/zinc/75/14/68/392751468.db2.gz LGSJFRQCIBMTGD-BETUJISGSA-N 2 2 256.353 1.568 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040490869 174291764 /nfs/dbraw/zinc/29/17/64/174291764.db2.gz GBBYJBYQHFSFKD-QLFBSQMISA-N 2 2 277.412 1.237 10 30 CDEELP C#CC[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040675999 174373748 /nfs/dbraw/zinc/37/37/48/174373748.db2.gz IOZSKGNGISGOAK-UHFFFAOYSA-N 2 2 287.363 1.825 10 30 CDEELP C[N@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)C1CCOCC1 ZINC000045311826 175356206 /nfs/dbraw/zinc/35/62/06/175356206.db2.gz HUFVNXDFUSIRET-OAHLLOKOSA-N 2 2 265.401 1.912 10 30 CDEELP C[N@@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)C1CCOCC1 ZINC000045311826 175356208 /nfs/dbraw/zinc/35/62/08/175356208.db2.gz HUFVNXDFUSIRET-OAHLLOKOSA-N 2 2 265.401 1.912 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@H+](C)C1CCOCC1 ZINC000045311839 175356749 /nfs/dbraw/zinc/35/67/49/175356749.db2.gz OJWYVEIPVZORMW-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C1CCOCC1 ZINC000045311839 175356750 /nfs/dbraw/zinc/35/67/50/175356750.db2.gz OJWYVEIPVZORMW-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](CCN(C)C)CC(C)C ZINC000045313984 175357528 /nfs/dbraw/zinc/35/75/28/175357528.db2.gz APRYUCVURYJCIU-OAHLLOKOSA-N 2 2 268.449 1.788 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](CCN(C)C)CC(C)C ZINC000045313984 175357529 /nfs/dbraw/zinc/35/75/29/175357529.db2.gz APRYUCVURYJCIU-OAHLLOKOSA-N 2 2 268.449 1.788 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316587 175357822 /nfs/dbraw/zinc/35/78/22/175357822.db2.gz JLOGOTUNWPGABG-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000045316587 175357823 /nfs/dbraw/zinc/35/78/23/175357823.db2.gz JLOGOTUNWPGABG-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001667351701 1173257265 /nfs/dbraw/zinc/25/72/65/1173257265.db2.gz GVESTKAXIFNQFF-GXTWGEPZSA-N 2 2 290.411 1.663 10 30 CDEELP CC#CC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001268374649 1159910089 /nfs/dbraw/zinc/91/00/89/1159910089.db2.gz KFAVCROFBXJMJH-ZDUSSCGKSA-N 2 2 289.379 1.140 10 30 CDEELP CCC[NH2+][C@@H](C#N)CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000062438974 519984758 /nfs/dbraw/zinc/98/47/58/519984758.db2.gz KXFUQVYEAHMWGV-HUUCEWRRSA-N 2 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081112 520225457 /nfs/dbraw/zinc/22/54/57/520225457.db2.gz ZDLIMHHUEMEJHO-INIZCTEOSA-N 2 2 280.460 1.932 10 30 CDEELP CC[C@H](C)[NH+]1CCN(CCC[C@@](C)(C#N)[NH2+]C)CC1 ZINC000055070114 523952949 /nfs/dbraw/zinc/95/29/49/523952949.db2.gz CKRPEKIICXWLCB-GJZGRUSLSA-N 2 2 266.433 1.684 10 30 CDEELP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897326 527026861 /nfs/dbraw/zinc/02/68/61/527026861.db2.gz PFFOGDDXQFOPCH-KBPBESRZSA-N 2 2 288.395 1.220 10 30 CDEELP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897326 527026866 /nfs/dbraw/zinc/02/68/66/527026866.db2.gz PFFOGDDXQFOPCH-KBPBESRZSA-N 2 2 288.395 1.220 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689909868 1175302520 /nfs/dbraw/zinc/30/25/20/1175302520.db2.gz UPPCLYGCZNSJLY-ZIAGYGMSSA-N 2 2 290.411 1.888 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061864 613580021 /nfs/dbraw/zinc/58/00/21/613580021.db2.gz RVBFUZSUTKKCML-CQSZACIVSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061864 613580022 /nfs/dbraw/zinc/58/00/22/613580022.db2.gz RVBFUZSUTKKCML-CQSZACIVSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941128963 613580039 /nfs/dbraw/zinc/58/00/39/613580039.db2.gz CGQKQBSKASPTQR-CYBMUJFWSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941128963 613580041 /nfs/dbraw/zinc/58/00/41/613580041.db2.gz CGQKQBSKASPTQR-CYBMUJFWSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473518 617598925 /nfs/dbraw/zinc/59/89/25/617598925.db2.gz YUXCVHSHVICTDE-UONOGXRCSA-N 2 2 265.401 1.189 10 30 CDEELP C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473518 617598928 /nfs/dbraw/zinc/59/89/28/617598928.db2.gz YUXCVHSHVICTDE-UONOGXRCSA-N 2 2 265.401 1.189 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000877247697 1166002391 /nfs/dbraw/zinc/00/23/91/1166002391.db2.gz VAJHZLJKHHNSIP-ZIAGYGMSSA-N 2 2 293.798 1.759 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000877247697 1166002393 /nfs/dbraw/zinc/00/23/93/1166002393.db2.gz VAJHZLJKHHNSIP-ZIAGYGMSSA-N 2 2 293.798 1.759 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001565855333 1168186271 /nfs/dbraw/zinc/18/62/71/1168186271.db2.gz MXVXTDPAGPWTFQ-OKILXGFUSA-N 2 2 290.411 1.711 10 30 CDEELP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566767560 1168413713 /nfs/dbraw/zinc/41/37/13/1168413713.db2.gz JJUOEJDOJTUWSQ-LSDHHAIUSA-N 2 2 288.395 1.294 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001568457866 1169298504 /nfs/dbraw/zinc/29/85/04/1169298504.db2.gz SKWJCLYWSUGXKT-AWEZNQCLSA-N 2 2 292.427 1.659 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001569307685 1169757620 /nfs/dbraw/zinc/75/76/20/1169757620.db2.gz NAZIHZTWVNPISA-HNNXBMFYSA-N 2 2 284.363 1.847 10 30 CDEELP CC#CC[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001669613816 1173576070 /nfs/dbraw/zinc/57/60/70/1173576070.db2.gz IWMOGFZVOVPYCN-LBPRGKRZSA-N 2 2 270.336 1.066 10 30 CDEELP C#CCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001669846062 1173619442 /nfs/dbraw/zinc/61/94/42/1173619442.db2.gz QNGOGYKCJICDLJ-ZDUSSCGKSA-N 2 2 284.363 1.408 10 30 CDEELP C#CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001669846062 1173619449 /nfs/dbraw/zinc/61/94/49/1173619449.db2.gz QNGOGYKCJICDLJ-ZDUSSCGKSA-N 2 2 284.363 1.408 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001676435755 1174225286 /nfs/dbraw/zinc/22/52/86/1174225286.db2.gz UFFSXVJROOCZTE-OLZOCXBDSA-N 2 2 264.373 1.457 10 30 CDEELP C#CCC[C@@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001621052856 1175194040 /nfs/dbraw/zinc/19/40/40/1175194040.db2.gz PYLVBDOVMFSOJO-LLVKDONJSA-N 2 2 267.398 1.069 10 30 CDEELP C#CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001689994966 1175338696 /nfs/dbraw/zinc/33/86/96/1175338696.db2.gz PPOKJCLQSYBVCT-UHFFFAOYSA-N 2 2 296.374 1.780 10 30 CDEELP C#CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001689994966 1175338704 /nfs/dbraw/zinc/33/87/04/1175338704.db2.gz PPOKJCLQSYBVCT-UHFFFAOYSA-N 2 2 296.374 1.780 10 30 CDEELP CC#CC[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001690603202 1175518497 /nfs/dbraw/zinc/51/84/97/1175518497.db2.gz YNEWVBKDWNEROU-GFCCVEGCSA-N 2 2 270.336 1.066 10 30 CDEELP C#CCC[N@@H+](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001690949964 1175624653 /nfs/dbraw/zinc/62/46/53/1175624653.db2.gz HBNZWZRGKPTJEN-HNNXBMFYSA-N 2 2 290.411 1.542 10 30 CDEELP C#CCC[N@H+](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001690949964 1175624656 /nfs/dbraw/zinc/62/46/56/1175624656.db2.gz HBNZWZRGKPTJEN-HNNXBMFYSA-N 2 2 290.411 1.542 10 30 CDEELP C=CCCC[NH+]1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001692237998 1175712227 /nfs/dbraw/zinc/71/22/27/1175712227.db2.gz BCCXVPIOQGJPFX-CYBMUJFWSA-N 2 2 276.384 1.601 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001698799503 1175938737 /nfs/dbraw/zinc/93/87/37/1175938737.db2.gz ANEIGULFZDVJKH-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001699278335 1176191292 /nfs/dbraw/zinc/19/12/92/1176191292.db2.gz RCSMLVNKAQMQRJ-NQHOJNORSA-N 2 2 288.395 1.284 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001699453554 1176419361 /nfs/dbraw/zinc/41/93/61/1176419361.db2.gz DHHWLYQNSJDSJI-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001699453554 1176419366 /nfs/dbraw/zinc/41/93/66/1176419366.db2.gz DHHWLYQNSJDSJI-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001699669924 1176561867 /nfs/dbraw/zinc/56/18/67/1176561867.db2.gz PKLFZTYNFUGCEG-GFCCVEGCSA-N 2 2 290.411 1.854 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001699736989 1176597767 /nfs/dbraw/zinc/59/77/67/1176597767.db2.gz KIZAHNOCKHXJQT-QWHCGFSZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001700270385 1176825899 /nfs/dbraw/zinc/82/58/99/1176825899.db2.gz CICZBGZPWJOHDG-SMDDNHRTSA-N 2 2 276.384 1.273 10 30 CDEELP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001700364810 1176874144 /nfs/dbraw/zinc/87/41/44/1176874144.db2.gz RNLITBAGUOVDAB-AWEZNQCLSA-N 2 2 288.395 1.207 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001700364810 1176874150 /nfs/dbraw/zinc/87/41/50/1176874150.db2.gz RNLITBAGUOVDAB-AWEZNQCLSA-N 2 2 288.395 1.207 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001700822578 1177150287 /nfs/dbraw/zinc/15/02/87/1177150287.db2.gz LACUSACEKMQKKZ-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001700994910 1177229540 /nfs/dbraw/zinc/22/95/40/1177229540.db2.gz MOJNGTLJSMWEPN-GFCCVEGCSA-N 2 2 278.400 1.649 10 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CDEELP C=CC[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001716578868 1180292219 /nfs/dbraw/zinc/29/22/19/1180292219.db2.gz GSNBCXRMGGOXET-UHFFFAOYSA-N 2 2 264.373 1.311 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001716640145 1180320713 /nfs/dbraw/zinc/32/07/13/1180320713.db2.gz XFMBKYZREGTZJC-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001716994383 1180495048 /nfs/dbraw/zinc/49/50/48/1180495048.db2.gz ZQHPSWNTAHIYNH-UONOGXRCSA-N 2 2 290.411 1.223 10 30 CDEELP C=CCC[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001717299956 1180610354 /nfs/dbraw/zinc/61/03/54/1180610354.db2.gz OYVMQMYUDKSLCG-UHFFFAOYSA-N 2 2 290.411 1.820 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001717442675 1180675235 /nfs/dbraw/zinc/67/52/35/1180675235.db2.gz QDXMMRMQGOEHPP-KBPBESRZSA-N 2 2 276.384 1.169 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001717642234 1180770080 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296.374 1.590 10 30 CDEELP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732073200 1182751469 /nfs/dbraw/zinc/75/14/69/1182751469.db2.gz XITCBMBVHXUTGI-ZDUSSCGKSA-N 2 2 296.374 1.590 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001732398990 1182945691 /nfs/dbraw/zinc/94/56/91/1182945691.db2.gz PHXJXADNXLKOOS-UHFFFAOYSA-N 2 2 276.384 1.465 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001732868444 1183164778 /nfs/dbraw/zinc/16/47/78/1183164778.db2.gz ITAJBLJICJILKW-RDFMZFSFSA-N 2 2 288.395 1.284 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001733354322 1183408259 /nfs/dbraw/zinc/40/82/59/1183408259.db2.gz KLRMJOVUXXBQHZ-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001733725128 1183509165 /nfs/dbraw/zinc/50/91/65/1183509165.db2.gz YWEMYMGXEMGGLP-LBPRGKRZSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001733725128 1183509168 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C=CC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292909 731869611 /nfs/dbraw/zinc/86/96/11/731869611.db2.gz UMGQFNMPRCIADY-JSGCOSHPSA-N 2 2 265.401 1.365 10 30 CDEELP C=CC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292909 731869614 /nfs/dbraw/zinc/86/96/14/731869614.db2.gz UMGQFNMPRCIADY-JSGCOSHPSA-N 2 2 265.401 1.365 10 30 CDEELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931312392 731877033 /nfs/dbraw/zinc/87/70/33/731877033.db2.gz WVGOGXGPWDOFPO-KURKYZTESA-N 2 2 299.418 1.865 10 30 CDEELP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931312392 731877035 /nfs/dbraw/zinc/87/70/35/731877035.db2.gz WVGOGXGPWDOFPO-KURKYZTESA-N 2 2 299.418 1.865 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931312392 731877036 /nfs/dbraw/zinc/87/70/36/731877036.db2.gz WVGOGXGPWDOFPO-KURKYZTESA-N 2 2 299.418 1.865 10 30 CDEELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000931312392 731877037 /nfs/dbraw/zinc/87/70/37/731877037.db2.gz WVGOGXGPWDOFPO-KURKYZTESA-N 2 2 299.418 1.865 10 30 CDEELP N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000709017111 732549237 /nfs/dbraw/zinc/54/92/37/732549237.db2.gz XTTIVRAIMKLWQT-HOTGVXAUSA-N 2 2 273.380 1.795 10 30 CDEELP N#Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000709017111 732549244 /nfs/dbraw/zinc/54/92/44/732549244.db2.gz XTTIVRAIMKLWQT-HOTGVXAUSA-N 2 2 273.380 1.795 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001565822704 1168172218 /nfs/dbraw/zinc/17/22/18/1168172218.db2.gz LEVXBLWXUMKUOW-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001565822704 1168172222 /nfs/dbraw/zinc/17/22/22/1168172222.db2.gz LEVXBLWXUMKUOW-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCCC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001566992121 1168489448 /nfs/dbraw/zinc/48/94/48/1168489448.db2.gz PMUUQGSLDUTYHB-UHFFFAOYSA-N 2 2 290.411 1.866 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001567029511 1168520586 /nfs/dbraw/zinc/52/05/86/1168520586.db2.gz RMXJYQNOWXVNAX-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001567233996 1168632486 /nfs/dbraw/zinc/63/24/86/1168632486.db2.gz KFSUUZMWKPFGKB-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001567291998 1168662673 /nfs/dbraw/zinc/66/26/73/1168662673.db2.gz CURYTIFJOCJRRM-UHFFFAOYSA-N 2 2 258.325 1.182 10 30 CDEELP C=CC[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001567291998 1168662678 /nfs/dbraw/zinc/66/26/78/1168662678.db2.gz CURYTIFJOCJRRM-UHFFFAOYSA-N 2 2 258.325 1.182 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001567381794 1168719466 /nfs/dbraw/zinc/71/94/66/1168719466.db2.gz AWBQWWUXOIFYQO-HNNXBMFYSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001567381794 1168719474 /nfs/dbraw/zinc/71/94/74/1168719474.db2.gz AWBQWWUXOIFYQO-HNNXBMFYSA-N 2 2 290.411 1.509 10 30 CDEELP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492679 893900680 /nfs/dbraw/zinc/90/06/80/893900680.db2.gz XKQYSDCQUGFUKB-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266881559 896273821 /nfs/dbraw/zinc/27/38/21/896273821.db2.gz XVRIVKLHEDHIRK-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267064089 896667436 /nfs/dbraw/zinc/66/74/36/896667436.db2.gz ZXVDFWXCSBZLJH-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001267308895 897556287 /nfs/dbraw/zinc/55/62/87/897556287.db2.gz HOAKXMJJRGLPAD-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001267308895 897556289 /nfs/dbraw/zinc/55/62/89/897556289.db2.gz HOAKXMJJRGLPAD-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001267855415 899879071 /nfs/dbraw/zinc/87/90/71/899879071.db2.gz BZSJOPUALBUZJM-IOASZLSFSA-N 2 2 288.395 1.574 10 30 CDEELP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001267855415 899879079 /nfs/dbraw/zinc/87/90/79/899879079.db2.gz BZSJOPUALBUZJM-IOASZLSFSA-N 2 2 288.395 1.574 10 30 CDEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001481519176 901035394 /nfs/dbraw/zinc/03/53/94/901035394.db2.gz WGEGSZOEIQSYIC-UHFFFAOYSA-N 2 2 290.411 1.699 10 30 CDEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001481519176 901035401 /nfs/dbraw/zinc/03/54/01/901035401.db2.gz WGEGSZOEIQSYIC-UHFFFAOYSA-N 2 2 290.411 1.699 10 30 CDEELP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268077366 901108649 /nfs/dbraw/zinc/10/86/49/901108649.db2.gz WPONRFBGOKTBQB-GFCCVEGCSA-N 2 2 270.336 1.018 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001268225197 901602825 /nfs/dbraw/zinc/60/28/25/901602825.db2.gz UQHBXPPRUZPQOL-ZDUSSCGKSA-N 2 2 264.373 1.259 10 30 CDEELP C=C(Cl)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C ZINC001268625546 902837181 /nfs/dbraw/zinc/83/71/81/902837181.db2.gz PRRRIJSTUSZLPC-ARJAWSKDSA-N 2 2 282.775 1.206 10 30 CDEELP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001269180535 903511113 /nfs/dbraw/zinc/51/11/13/903511113.db2.gz DUKJAKAAXHVYQD-DZGCQCFKSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372877 905229747 /nfs/dbraw/zinc/22/97/47/905229747.db2.gz FBYZCUXMKPDODY-ZDUSSCGKSA-N 2 2 264.373 1.286 10 30 CDEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275689840 931957935 /nfs/dbraw/zinc/95/79/35/931957935.db2.gz OIPDCJCUEWBYBT-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275689840 931957936 /nfs/dbraw/zinc/95/79/36/931957936.db2.gz OIPDCJCUEWBYBT-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 CDEELP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001275945477 932159802 /nfs/dbraw/zinc/15/98/02/932159802.db2.gz MWXHYQGACAPXCN-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001275945477 932159807 /nfs/dbraw/zinc/15/98/07/932159807.db2.gz MWXHYQGACAPXCN-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2c(C)nn(CCO)c2C)CC1 ZINC000303976167 940839839 /nfs/dbraw/zinc/83/98/39/940839839.db2.gz CAYOGQUXVZAXDS-UHFFFAOYSA-N 2 2 292.427 1.232 10 30 CDEELP CC#CC[NH2+]CCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001568782702 1169472741 /nfs/dbraw/zinc/47/27/41/1169472741.db2.gz FNZXINJPIWKZNQ-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[NH2+]CCN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001568782702 1169472746 /nfs/dbraw/zinc/47/27/46/1169472746.db2.gz FNZXINJPIWKZNQ-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001265438870 944388124 /nfs/dbraw/zinc/38/81/24/944388124.db2.gz LOSWOVHQKAYJCS-ZDUSSCGKSA-N 2 2 282.347 1.162 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479833114 971441165 /nfs/dbraw/zinc/44/11/65/971441165.db2.gz IXQYAWIPPKPHIZ-UKRRQHHQSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001569002514 1169588937 /nfs/dbraw/zinc/58/89/37/1169588937.db2.gz GBOFMXILXWMCCB-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C#CC[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001479896379 971473326 /nfs/dbraw/zinc/47/33/26/971473326.db2.gz QDHZPKKCMRFTON-UHFFFAOYSA-N 2 2 288.395 1.219 10 30 CDEELP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001480099972 971576539 /nfs/dbraw/zinc/57/65/39/971576539.db2.gz QETNJJMCHBFQGW-OWCLPIDISA-N 2 2 293.455 1.968 10 30 CDEELP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001480099972 971576544 /nfs/dbraw/zinc/57/65/44/971576544.db2.gz QETNJJMCHBFQGW-OWCLPIDISA-N 2 2 293.455 1.968 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480209344 971630393 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CDEELP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317604146 957593331 /nfs/dbraw/zinc/59/33/31/957593331.db2.gz BJUIMJAIBHEKJG-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317853454 957694185 /nfs/dbraw/zinc/69/41/85/957694185.db2.gz LLZVEDOJQDFKKY-LSDHHAIUSA-N 2 2 290.411 1.801 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317853454 957694192 /nfs/dbraw/zinc/69/41/92/957694192.db2.gz LLZVEDOJQDFKKY-LSDHHAIUSA-N 2 2 290.411 1.801 10 30 CDEELP C=CC[NH+]1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001318131155 957936851 /nfs/dbraw/zinc/93/68/51/957936851.db2.gz YTEUDOXPEXYNJI-UHFFFAOYSA-N 2 2 276.384 1.161 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001319080760 958368492 /nfs/dbraw/zinc/36/84/92/958368492.db2.gz KRDBCVRJVMSDIN-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001319080760 958368502 /nfs/dbraw/zinc/36/85/02/958368502.db2.gz KRDBCVRJVMSDIN-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001319389775 958529379 /nfs/dbraw/zinc/52/93/79/958529379.db2.gz QTSHCDSQALVZGQ-UHFFFAOYSA-N 2 2 262.357 1.088 10 30 CDEELP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001319632575 958665872 /nfs/dbraw/zinc/66/58/72/958665872.db2.gz WDAYSEHOFMBHAZ-AWEZNQCLSA-N 2 2 276.384 1.096 10 30 CDEELP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001319865453 958759613 /nfs/dbraw/zinc/75/96/13/958759613.db2.gz ULCNORGZDZVQRB-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001323444122 960736810 /nfs/dbraw/zinc/73/68/10/960736810.db2.gz QIUQSCOHXRKTTQ-UHFFFAOYSA-N 2 2 288.395 1.186 10 30 CDEELP C#CCC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001495538945 972530550 /nfs/dbraw/zinc/53/05/50/972530550.db2.gz LRWWRAOGXZTQEY-UHFFFAOYSA-N 2 2 288.395 1.125 10 30 CDEELP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001419368160 961634975 /nfs/dbraw/zinc/63/49/75/961634975.db2.gz MGKSQFULCCVSAZ-AWEZNQCLSA-N 2 2 296.802 1.510 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439220669 963682304 /nfs/dbraw/zinc/68/23/04/963682304.db2.gz CGSSWGRYBHDERO-NWDGAFQWSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001448055160 966979852 /nfs/dbraw/zinc/97/98/52/966979852.db2.gz PDGTUOYKOFZDKS-LLVKDONJSA-N 2 2 284.791 1.381 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001448055160 966979855 /nfs/dbraw/zinc/97/98/55/966979855.db2.gz PDGTUOYKOFZDKS-LLVKDONJSA-N 2 2 284.791 1.381 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001569560405 1169924256 /nfs/dbraw/zinc/92/42/56/1169924256.db2.gz DQMPDECJZIUVLV-LBPRGKRZSA-N 2 2 276.384 1.454 10 30 CDEELP C[C@@H](C#N)OCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778647 969545044 /nfs/dbraw/zinc/54/50/44/969545044.db2.gz USHDSLXHZPVLNR-ZDUSSCGKSA-N 2 2 281.400 1.148 10 30 CDEELP C#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001569648793 1169953919 /nfs/dbraw/zinc/95/39/19/1169953919.db2.gz YYPPHDGWLHPCBD-UKRRQHHQSA-N 2 2 274.368 1.048 10 30 CDEELP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001569648793 1169953923 /nfs/dbraw/zinc/95/39/23/1169953923.db2.gz YYPPHDGWLHPCBD-UKRRQHHQSA-N 2 2 274.368 1.048 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001496753672 973081238 /nfs/dbraw/zinc/08/12/38/973081238.db2.gz IYJZCANYEAXEFS-UHFFFAOYSA-N 2 2 264.373 1.240 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001496753672 973081250 /nfs/dbraw/zinc/08/12/50/973081250.db2.gz IYJZCANYEAXEFS-UHFFFAOYSA-N 2 2 264.373 1.240 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001507417466 975462344 /nfs/dbraw/zinc/46/23/44/975462344.db2.gz XJLZWCLGTMZOGU-KGLIPLIRSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001391912883 977147168 /nfs/dbraw/zinc/14/71/68/977147168.db2.gz GEJLUTKAKCIEML-MVWJERBFSA-N 2 2 296.802 1.608 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001391912883 977147176 /nfs/dbraw/zinc/14/71/76/977147176.db2.gz GEJLUTKAKCIEML-MVWJERBFSA-N 2 2 296.802 1.608 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001403959057 977283582 /nfs/dbraw/zinc/28/35/82/977283582.db2.gz PKASKORWUAPNRS-GFCCVEGCSA-N 2 2 298.818 1.756 10 30 CDEELP C#CC[NH2+][C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001675141141 1174079499 /nfs/dbraw/zinc/07/94/99/1174079499.db2.gz VGNUMBJSASKXFW-CYBMUJFWSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001570017797 1170060451 /nfs/dbraw/zinc/06/04/51/1170060451.db2.gz WZFOIPMTUUPQKX-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001571277996 1170359431 /nfs/dbraw/zinc/35/94/31/1170359431.db2.gz UFDZQZGONUCALE-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001571394740 1170408663 /nfs/dbraw/zinc/40/86/63/1170408663.db2.gz RCQQLACGDRUOIE-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP CC#CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001571645974 1170507702 /nfs/dbraw/zinc/50/77/02/1170507702.db2.gz BBBITGGQNMXVPD-CQSZACIVSA-N 2 2 288.395 1.123 10 30 CDEELP COc1cc[nH+]cc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437097 342898410 /nfs/dbraw/zinc/89/84/10/342898410.db2.gz HXYHDFONEWNSAZ-SNVBAGLBSA-N 2 2 262.313 1.440 10 30 CDEELP CCO[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1C[NH3+] ZINC000405216745 349780682 /nfs/dbraw/zinc/78/06/82/349780682.db2.gz NVLWMUJLSHWACN-TZMCWYRMSA-N 2 2 260.341 1.062 10 30 CDEELP N#CC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000596651286 343371199 /nfs/dbraw/zinc/37/11/99/343371199.db2.gz LUPPPGDAVKVBAI-LSDHHAIUSA-N 2 2 277.412 1.817 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C#N)cs1 ZINC000597990237 343681205 /nfs/dbraw/zinc/68/12/05/343681205.db2.gz SPIHNDVEHGWYIQ-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C#N)cs1 ZINC000597990237 343681208 /nfs/dbraw/zinc/68/12/08/343681208.db2.gz SPIHNDVEHGWYIQ-UHFFFAOYSA-N 2 2 294.424 1.233 10 30 CDEELP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449394339 362689580 /nfs/dbraw/zinc/68/95/80/362689580.db2.gz NTELLGUOSJBRNF-QLFBSQMISA-N 2 2 265.401 1.505 10 30 CDEELP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449394339 362689582 /nfs/dbraw/zinc/68/95/82/362689582.db2.gz NTELLGUOSJBRNF-QLFBSQMISA-N 2 2 265.401 1.505 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000655940946 412954612 /nfs/dbraw/zinc/95/46/12/412954612.db2.gz IBKIZHQPNKTHHD-OCCSQVGLSA-N 2 2 261.373 1.038 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000655940946 412954614 /nfs/dbraw/zinc/95/46/14/412954614.db2.gz IBKIZHQPNKTHHD-OCCSQVGLSA-N 2 2 261.373 1.038 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001663553956 1172722661 /nfs/dbraw/zinc/72/26/61/1172722661.db2.gz XFCLMJMHXIGQNJ-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001663553956 1172722669 /nfs/dbraw/zinc/72/26/69/1172722669.db2.gz XFCLMJMHXIGQNJ-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP Cc1oc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c(C#N)c1C ZINC000044514259 175189099 /nfs/dbraw/zinc/18/90/99/175189099.db2.gz UCAFHOJSPWSXPZ-UHFFFAOYSA-N 2 2 290.367 1.377 10 30 CDEELP N#CC1(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CCCCCC1 ZINC000044530566 175195221 /nfs/dbraw/zinc/19/52/21/175195221.db2.gz JARDYFKFKLWBHJ-CQSZACIVSA-N 2 2 292.427 1.390 10 30 CDEELP N#CC1(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CCCCCC1 ZINC000044530566 175195223 /nfs/dbraw/zinc/19/52/23/175195223.db2.gz JARDYFKFKLWBHJ-CQSZACIVSA-N 2 2 292.427 1.390 10 30 CDEELP N#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044558297 175202884 /nfs/dbraw/zinc/20/28/84/175202884.db2.gz IZXYEFFRWMDPAO-CQSZACIVSA-N 2 2 259.353 1.750 10 30 CDEELP N#Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044558297 175202885 /nfs/dbraw/zinc/20/28/85/175202885.db2.gz IZXYEFFRWMDPAO-CQSZACIVSA-N 2 2 259.353 1.750 10 30 CDEELP C[NH+](C)CC1CC[NH+](C[C@@](C)(C#N)NC2CC2)CC1 ZINC000045177192 175323598 /nfs/dbraw/zinc/32/35/98/175323598.db2.gz IIKUYRVCBPQOJN-OAHLLOKOSA-N 2 2 264.417 1.294 10 30 CDEELP C#CC[NH2+]CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001666231113 1173119206 /nfs/dbraw/zinc/11/92/06/1173119206.db2.gz GLOQATRUCRHXIC-UHFFFAOYSA-N 2 2 288.395 1.125 10 30 CDEELP C=CC[C@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000186707569 329347836 /nfs/dbraw/zinc/34/78/36/329347836.db2.gz VADZRTIRLNGHKW-MRXNPFEDSA-N 2 2 275.396 1.573 10 30 CDEELP CC(C)(CC#N)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423172280 330174435 /nfs/dbraw/zinc/17/44/35/330174435.db2.gz SCEYBCJGKJNYIE-QWHCGFSZSA-N 2 2 251.374 1.283 10 30 CDEELP C=CCNC(=O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000393820836 1159625439 /nfs/dbraw/zinc/62/54/39/1159625439.db2.gz BIBAAQNNCNDTLG-UHFFFAOYSA-N 2 2 270.336 1.264 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001272344703 1161079392 /nfs/dbraw/zinc/07/93/92/1161079392.db2.gz WONVARFFKRKMOD-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP C=CC[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061612546 518863148 /nfs/dbraw/zinc/86/31/48/518863148.db2.gz FQDQJAJLSBOLHJ-HNNXBMFYSA-N 2 2 273.380 1.059 10 30 CDEELP CC(C)[NH2+][C@](C#N)(CN1CCC([NH+](C)C)CC1)C1CC1 ZINC000069078147 519739002 /nfs/dbraw/zinc/73/90/02/519739002.db2.gz POSXWLOEHDNTQY-MRXNPFEDSA-N 2 2 278.444 1.683 10 30 CDEELP C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609143 525127333 /nfs/dbraw/zinc/12/73/33/525127333.db2.gz WJMPJHWWOJNDQA-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609143 525127343 /nfs/dbraw/zinc/12/73/43/525127343.db2.gz WJMPJHWWOJNDQA-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C=CC[N@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001685854458 1174690546 /nfs/dbraw/zinc/69/05/46/1174690546.db2.gz VDCDUSGGEGGSOV-UHFFFAOYSA-N 2 2 288.395 1.073 10 30 CDEELP C=CC[N@@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001685854458 1174690549 /nfs/dbraw/zinc/69/05/49/1174690549.db2.gz VDCDUSGGEGGSOV-UHFFFAOYSA-N 2 2 288.395 1.073 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000757662668 577049244 /nfs/dbraw/zinc/04/92/44/577049244.db2.gz QMFYUXAIIJSLHM-RYUDHWBXSA-N 2 2 269.414 1.032 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001688914771 1175065880 /nfs/dbraw/zinc/06/58/80/1175065880.db2.gz LNKREDXXANYWGW-BETUJISGSA-N 2 2 276.384 1.023 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001690231369 1175408754 /nfs/dbraw/zinc/40/87/54/1175408754.db2.gz ZEIPEFGUDTYMDR-YNEHKIRRSA-N 2 2 274.368 1.280 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001690231369 1175408761 /nfs/dbraw/zinc/40/87/61/1175408761.db2.gz ZEIPEFGUDTYMDR-YNEHKIRRSA-N 2 2 274.368 1.280 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001670651393 1158675391 /nfs/dbraw/zinc/67/53/91/1158675391.db2.gz SVATTZLHACJUSX-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691369487 1159039656 /nfs/dbraw/zinc/03/96/56/1159039656.db2.gz PUNUYZHFJYCXMI-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001670651393 1158675373 /nfs/dbraw/zinc/67/53/73/1158675373.db2.gz SVATTZLHACJUSX-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001670651393 1158675378 /nfs/dbraw/zinc/67/53/78/1158675378.db2.gz SVATTZLHACJUSX-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001670651393 1158675381 /nfs/dbraw/zinc/67/53/81/1158675381.db2.gz SVATTZLHACJUSX-ZDUSSCGKSA-N 2 2 262.357 1.109 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691666484 1161473721 /nfs/dbraw/zinc/47/37/21/1161473721.db2.gz YGCIPXZXIKBMQH-OAHLLOKOSA-N 2 2 288.395 1.138 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691666484 1161473724 /nfs/dbraw/zinc/47/37/24/1161473724.db2.gz YGCIPXZXIKBMQH-OAHLLOKOSA-N 2 2 288.395 1.138 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)c1cccc2[nH+]ccn21 ZINC001568886243 1169533177 /nfs/dbraw/zinc/53/31/77/1169533177.db2.gz DMUPEDZGMFEEGZ-ONEGZZNKSA-N 2 2 284.363 1.786 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC001569603600 1169935187 /nfs/dbraw/zinc/93/51/87/1169935187.db2.gz BFTLQXUPCREHRD-OAHLLOKOSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001569603600 1169935181 /nfs/dbraw/zinc/93/51/81/1169935181.db2.gz BFTLQXUPCREHRD-OAHLLOKOSA-N 2 2 288.395 1.240 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001569855424 1170019218 /nfs/dbraw/zinc/01/92/18/1170019218.db2.gz HQBZSCDUBJXCDT-GJZGRUSLSA-N 2 2 290.411 1.533 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001570004782 1170057170 /nfs/dbraw/zinc/05/71/70/1170057170.db2.gz HGYDKCHYOOAUKG-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001665711555 1173045258 /nfs/dbraw/zinc/04/52/58/1173045258.db2.gz BDUWFBIQGCDLCF-FZKCQIBNSA-N 2 2 265.445 1.955 10 30 CDEELP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001665711555 1173045265 /nfs/dbraw/zinc/04/52/65/1173045265.db2.gz BDUWFBIQGCDLCF-FZKCQIBNSA-N 2 2 265.445 1.955 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001691864863 1175639880 /nfs/dbraw/zinc/63/98/80/1175639880.db2.gz WARFXWKUQCRZRZ-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001691864863 1175639884 /nfs/dbraw/zinc/63/98/84/1175639884.db2.gz WARFXWKUQCRZRZ-OAHLLOKOSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001698944572 1175991553 /nfs/dbraw/zinc/99/15/53/1175991553.db2.gz BICRQYHFMQGOJE-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001698999046 1176027943 /nfs/dbraw/zinc/02/79/43/1176027943.db2.gz BMQNQRPFUJOXDZ-UHFFFAOYSA-N 2 2 297.443 1.064 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001698999046 1176027951 /nfs/dbraw/zinc/02/79/51/1176027951.db2.gz BMQNQRPFUJOXDZ-UHFFFAOYSA-N 2 2 297.443 1.064 10 30 CDEELP C=C(C)C[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001699769810 1176615291 /nfs/dbraw/zinc/61/52/91/1176615291.db2.gz JYLUAHSBYAMYJN-UHFFFAOYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699820213 1176639865 /nfs/dbraw/zinc/63/98/65/1176639865.db2.gz VMFXIRPUAVKOER-CQSZACIVSA-N 2 2 262.357 1.109 10 30 CDEELP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699820213 1176639875 /nfs/dbraw/zinc/63/98/75/1176639875.db2.gz VMFXIRPUAVKOER-CQSZACIVSA-N 2 2 262.357 1.109 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001700544745 1177008365 /nfs/dbraw/zinc/00/83/65/1177008365.db2.gz BDGGPULZNVRVNB-CHWSQXEVSA-N 2 2 290.411 1.743 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700838850 1177159613 /nfs/dbraw/zinc/15/96/13/1177159613.db2.gz ARJCTIMXHQYAGA-JSGCOSHPSA-N 2 2 296.374 1.779 10 30 CDEELP C#CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001713557493 1178645510 /nfs/dbraw/zinc/64/55/10/1178645510.db2.gz IHSNRMSBDITUJH-ZIAGYGMSSA-N 2 2 286.379 1.117 10 30 CDEELP C#CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001713557493 1178645514 /nfs/dbraw/zinc/64/55/14/1178645514.db2.gz IHSNRMSBDITUJH-ZIAGYGMSSA-N 2 2 286.379 1.117 10 30 CDEELP C#CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001713557493 1178645518 /nfs/dbraw/zinc/64/55/18/1178645518.db2.gz IHSNRMSBDITUJH-ZIAGYGMSSA-N 2 2 286.379 1.117 10 30 CDEELP C#CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001713557493 1178645522 /nfs/dbraw/zinc/64/55/22/1178645522.db2.gz IHSNRMSBDITUJH-ZIAGYGMSSA-N 2 2 286.379 1.117 10 30 CDEELP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001714794826 1179400903 /nfs/dbraw/zinc/40/09/03/1179400903.db2.gz KJIRGMHCPSBUEB-STQMWFEESA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001714794826 1179400905 /nfs/dbraw/zinc/40/09/05/1179400905.db2.gz KJIRGMHCPSBUEB-STQMWFEESA-N 2 2 276.384 1.048 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001717718982 1180805901 /nfs/dbraw/zinc/80/59/01/1180805901.db2.gz AQBCIHUTHGDCSL-CQSZACIVSA-N 2 2 298.390 1.930 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001717888179 1180914069 /nfs/dbraw/zinc/91/40/69/1180914069.db2.gz ZKXLAEBHVBUQMV-CABCVRRESA-N 2 2 290.411 1.724 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001724795185 1181755817 /nfs/dbraw/zinc/75/58/17/1181755817.db2.gz CKWSPEXINAIEMA-CYBMUJFWSA-N 2 2 288.395 1.240 10 30 CDEELP C#CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001724795185 1181755819 /nfs/dbraw/zinc/75/58/19/1181755819.db2.gz CKWSPEXINAIEMA-CYBMUJFWSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001725360171 1181973783 /nfs/dbraw/zinc/97/37/83/1181973783.db2.gz WMTXKSDSNLULNQ-MQMHXKEQSA-N 2 2 289.379 1.303 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001731855927 1182630801 /nfs/dbraw/zinc/63/08/01/1182630801.db2.gz DOVZCLLTNCNIEZ-KGLIPLIRSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001731855927 1182630807 /nfs/dbraw/zinc/63/08/07/1182630807.db2.gz DOVZCLLTNCNIEZ-KGLIPLIRSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001731855927 1182630811 /nfs/dbraw/zinc/63/08/11/1182630811.db2.gz DOVZCLLTNCNIEZ-KGLIPLIRSA-N 2 2 290.411 1.603 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001731855927 1182630818 /nfs/dbraw/zinc/63/08/18/1182630818.db2.gz DOVZCLLTNCNIEZ-KGLIPLIRSA-N 2 2 290.411 1.603 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001732494360 1182988221 /nfs/dbraw/zinc/98/82/21/1182988221.db2.gz SVRLWSKHUCEPRQ-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001733188305 1183324078 /nfs/dbraw/zinc/32/40/78/1183324078.db2.gz ITUWESAWOCYDBK-CQSZACIVSA-N 2 2 276.384 1.321 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001733413964 1183425927 /nfs/dbraw/zinc/42/59/27/1183425927.db2.gz VMCBTWMMEPACOA-OAHLLOKOSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001733413964 1183425928 /nfs/dbraw/zinc/42/59/28/1183425928.db2.gz VMCBTWMMEPACOA-OAHLLOKOSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001733859211 1183552675 /nfs/dbraw/zinc/55/26/75/1183552675.db2.gz RSCMQHWUHPQJHV-SWLSCSKDSA-N 2 2 290.411 1.663 10 30 CDEELP CC#CC[NH2+][C@H](CCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001734290843 1183714566 /nfs/dbraw/zinc/71/45/66/1183714566.db2.gz RPQGDQSEPHQYAM-CQSZACIVSA-N 2 2 290.411 1.404 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001734460738 1183787039 /nfs/dbraw/zinc/78/70/39/1183787039.db2.gz RHFNQWUNTKWLNL-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001734460738 1183787043 /nfs/dbraw/zinc/78/70/43/1183787043.db2.gz RHFNQWUNTKWLNL-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C[C@H]1CC(=NNCCCn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000848418658 735535967 /nfs/dbraw/zinc/53/59/67/735535967.db2.gz PAQKEMURNNVKLN-LBPRGKRZSA-N 2 2 261.373 1.475 10 30 CDEELP C[C@H]1CC(=NNCCCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000848418658 735535973 /nfs/dbraw/zinc/53/59/73/735535973.db2.gz PAQKEMURNNVKLN-LBPRGKRZSA-N 2 2 261.373 1.475 10 30 CDEELP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000852099126 736007721 /nfs/dbraw/zinc/00/77/21/736007721.db2.gz FHZOGSLKLPOFLF-SJORKVTESA-N 2 2 274.408 1.871 10 30 CDEELP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000852099126 736007727 /nfs/dbraw/zinc/00/77/27/736007727.db2.gz FHZOGSLKLPOFLF-SJORKVTESA-N 2 2 274.408 1.871 10 30 CDEELP C#Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000819340235 734040489 /nfs/dbraw/zinc/04/04/89/734040489.db2.gz UBLJVRMGOZLBEZ-MRXNPFEDSA-N 2 2 258.365 1.213 10 30 CDEELP C#Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000819340235 734040491 /nfs/dbraw/zinc/04/04/91/734040491.db2.gz UBLJVRMGOZLBEZ-MRXNPFEDSA-N 2 2 258.365 1.213 10 30 CDEELP C[C@H](CCC#N)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287585 735178264 /nfs/dbraw/zinc/17/82/64/735178264.db2.gz RYYOOBMWTMANMA-CQSZACIVSA-N 2 2 265.401 1.865 10 30 CDEELP C[C@H](CCC#N)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287585 735178266 /nfs/dbraw/zinc/17/82/66/735178266.db2.gz RYYOOBMWTMANMA-CQSZACIVSA-N 2 2 265.401 1.865 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000876750354 735222676 /nfs/dbraw/zinc/22/26/76/735222676.db2.gz VPQKTMUQGXFWEN-LBPRGKRZSA-N 2 2 296.802 1.860 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566878270 1168454264 /nfs/dbraw/zinc/45/42/64/1168454264.db2.gz OQFGXQDIEWSBQV-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566878270 1168454270 /nfs/dbraw/zinc/45/42/70/1168454270.db2.gz OQFGXQDIEWSBQV-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001566906386 1168461513 /nfs/dbraw/zinc/46/15/13/1168461513.db2.gz KTHBHZVWDZBMPG-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001566906386 1168461519 /nfs/dbraw/zinc/46/15/19/1168461519.db2.gz KTHBHZVWDZBMPG-UONOGXRCSA-N 2 2 288.395 1.050 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001267666538 899208539 /nfs/dbraw/zinc/20/85/39/899208539.db2.gz ULWRIRHCKJPEJM-CQSZACIVSA-N 2 2 290.411 1.319 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001267666538 899208548 /nfs/dbraw/zinc/20/85/48/899208548.db2.gz ULWRIRHCKJPEJM-CQSZACIVSA-N 2 2 290.411 1.319 10 30 CDEELP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001267711854 899344824 /nfs/dbraw/zinc/34/48/24/899344824.db2.gz GMBIRJYXISQQMP-KKUMJFAQSA-N 2 2 277.412 1.025 10 30 CDEELP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001267711854 899344837 /nfs/dbraw/zinc/34/48/37/899344837.db2.gz GMBIRJYXISQQMP-KKUMJFAQSA-N 2 2 277.412 1.025 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481500736 900938725 /nfs/dbraw/zinc/93/87/25/900938725.db2.gz QAVRLXJWVWURIT-KGLIPLIRSA-N 2 2 290.411 1.555 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481500736 900938736 /nfs/dbraw/zinc/93/87/36/900938736.db2.gz QAVRLXJWVWURIT-KGLIPLIRSA-N 2 2 290.411 1.555 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481500736 900938746 /nfs/dbraw/zinc/93/87/46/900938746.db2.gz QAVRLXJWVWURIT-KGLIPLIRSA-N 2 2 290.411 1.555 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481500736 900938756 /nfs/dbraw/zinc/93/87/56/900938756.db2.gz QAVRLXJWVWURIT-KGLIPLIRSA-N 2 2 290.411 1.555 10 30 CDEELP C#CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001268200176 901556214 /nfs/dbraw/zinc/55/62/14/901556214.db2.gz QRRUHGATWCKSBJ-UHFFFAOYSA-N 2 2 288.395 1.146 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001284641802 904129315 /nfs/dbraw/zinc/12/93/15/904129315.db2.gz ACCNCYHUEQPSPL-AWEZNQCLSA-N 2 2 290.411 1.404 10 30 CDEELP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001482499092 906672855 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CDEELP COCC#CC[N@H+](C)[C@H]1CCC[NH+](CC#CCOC)CC1 ZINC000677819744 936467735 /nfs/dbraw/zinc/46/77/35/936467735.db2.gz OUFPQXFSZDVWTE-KRWDZBQOSA-N 2 2 292.423 1.072 10 30 CDEELP COCC#CC[N@@H+](C)[C@H]1CCC[NH+](CC#CCOC)CC1 ZINC000677819744 936467738 /nfs/dbraw/zinc/46/77/38/936467738.db2.gz OUFPQXFSZDVWTE-KRWDZBQOSA-N 2 2 292.423 1.072 10 30 CDEELP COCC#CC[NH+](C)[C@H]1CCC[N@H+](CC#CCOC)CC1 ZINC000677819744 936467741 /nfs/dbraw/zinc/46/77/41/936467741.db2.gz OUFPQXFSZDVWTE-KRWDZBQOSA-N 2 2 292.423 1.072 10 30 CDEELP COCC#CC[NH+](C)[C@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC000677819744 936467743 /nfs/dbraw/zinc/46/77/43/936467743.db2.gz OUFPQXFSZDVWTE-KRWDZBQOSA-N 2 2 292.423 1.072 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001486114142 920724292 /nfs/dbraw/zinc/72/42/92/920724292.db2.gz LRDHKFRXKXCRNP-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001486114142 920724305 /nfs/dbraw/zinc/72/43/05/920724305.db2.gz LRDHKFRXKXCRNP-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001490928430 936832262 /nfs/dbraw/zinc/83/22/62/936832262.db2.gz PRHNUGNXFNWDRJ-AAVRWANBSA-N 2 2 288.395 1.337 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001275580319 931891958 /nfs/dbraw/zinc/89/19/58/931891958.db2.gz MAYPAXFYWCYIBB-KBPBESRZSA-N 2 2 278.400 1.722 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001277659864 943253967 /nfs/dbraw/zinc/25/39/67/943253967.db2.gz MMCGRGSUFJZJGG-CQSZACIVSA-N 2 2 267.417 1.291 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265496898 944409275 /nfs/dbraw/zinc/40/92/75/944409275.db2.gz FZCPIBPTJKCIKA-IHRRRGAJSA-N 2 2 274.368 1.094 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001278015490 944585316 /nfs/dbraw/zinc/58/53/16/944585316.db2.gz HHEAZENTCOJDAI-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278425527 947890918 /nfs/dbraw/zinc/89/09/18/947890918.db2.gz ASRNRUZMIOJNCY-ZBFHGGJFSA-N 2 2 288.395 1.438 10 30 CDEELP CC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278425527 947890922 /nfs/dbraw/zinc/89/09/22/947890922.db2.gz ASRNRUZMIOJNCY-ZBFHGGJFSA-N 2 2 288.395 1.438 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001480462122 971740906 /nfs/dbraw/zinc/74/09/06/971740906.db2.gz RJTIAWWCITTWSK-LBPRGKRZSA-N 2 2 286.379 1.927 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001493891640 972133246 /nfs/dbraw/zinc/13/32/46/972133246.db2.gz FAWSIULQEIYPNW-MRXNPFEDSA-N 2 2 298.390 1.906 10 30 CDEELP CC#CC[N@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317478266 956633643 /nfs/dbraw/zinc/63/36/43/956633643.db2.gz DYHOBFCHPCJLPJ-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP CC#CC[N@@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317478266 956633651 /nfs/dbraw/zinc/63/36/51/956633651.db2.gz DYHOBFCHPCJLPJ-UHFFFAOYSA-N 2 2 298.390 1.718 10 30 CDEELP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494408434 972227182 /nfs/dbraw/zinc/22/71/82/972227182.db2.gz YUTUDQBNIQAUEI-CYBMUJFWSA-N 2 2 288.395 1.212 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001332859200 957893201 /nfs/dbraw/zinc/89/32/01/957893201.db2.gz GRDHZKTXYGESNF-ZDUSSCGKSA-N 2 2 276.384 1.096 10 30 CDEELP C=C(C)C[NH2+]CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001322637500 960283006 /nfs/dbraw/zinc/28/30/06/960283006.db2.gz WFEHVKSNUICCOG-UHFFFAOYSA-N 2 2 264.373 1.287 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001323023562 960411202 /nfs/dbraw/zinc/41/12/02/960411202.db2.gz XABSKAUSOZDXJB-HIFRSBDPSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCCCCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001323992391 961092433 /nfs/dbraw/zinc/09/24/33/961092433.db2.gz BJYLXKDADBECBK-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001436957612 962524901 /nfs/dbraw/zinc/52/49/01/962524901.db2.gz DGDSDSMUUVROCT-TXEJJXNPSA-N 2 2 282.775 1.263 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001569410404 1169865896 /nfs/dbraw/zinc/86/58/96/1169865896.db2.gz LPTMKEKZSURGBC-UHFFFAOYSA-N 2 2 276.384 1.167 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445773908 966330530 /nfs/dbraw/zinc/33/05/30/966330530.db2.gz VGMCDKPWKHQGOH-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445773908 966330537 /nfs/dbraw/zinc/33/05/37/966330537.db2.gz VGMCDKPWKHQGOH-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445773908 966330547 /nfs/dbraw/zinc/33/05/47/966330547.db2.gz VGMCDKPWKHQGOH-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445773908 966330559 /nfs/dbraw/zinc/33/05/59/966330559.db2.gz VGMCDKPWKHQGOH-STQMWFEESA-N 2 2 287.835 1.660 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001499862160 974316259 /nfs/dbraw/zinc/31/62/59/974316259.db2.gz QWDDKHNMMUUPKD-GJZGRUSLSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001506010161 975083784 /nfs/dbraw/zinc/08/37/84/975083784.db2.gz QZLYDHGIIIRLGO-UONOGXRCSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001506010161 975083788 /nfs/dbraw/zinc/08/37/88/975083788.db2.gz QZLYDHGIIIRLGO-UONOGXRCSA-N 2 2 278.400 1.847 10 30 CDEELP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001506890134 975246928 /nfs/dbraw/zinc/24/69/28/975246928.db2.gz DRBQCGWOWHNACU-HDJSIYSDSA-N 2 2 296.374 1.456 10 30 CDEELP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001569828921 1170008884 /nfs/dbraw/zinc/00/88/84/1170008884.db2.gz QEJWUFAJNDUVJT-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001400257019 976952706 /nfs/dbraw/zinc/95/27/06/976952706.db2.gz ZDIDTARQGUBGPR-ZDUSSCGKSA-N 2 2 296.802 1.416 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001400257019 976952717 /nfs/dbraw/zinc/95/27/17/976952717.db2.gz ZDIDTARQGUBGPR-ZDUSSCGKSA-N 2 2 296.802 1.416 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001674753972 1174004645 /nfs/dbraw/zinc/00/46/45/1174004645.db2.gz HVDBJAOMVFQZII-RYUDHWBXSA-N 2 2 264.373 1.022 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001676879373 1174285131 /nfs/dbraw/zinc/28/51/31/1174285131.db2.gz MLGGAVPOZROWMB-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001676879373 1174285138 /nfs/dbraw/zinc/28/51/38/1174285138.db2.gz MLGGAVPOZROWMB-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP CN(C)c1[nH+]cccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440269 342907201 /nfs/dbraw/zinc/90/72/01/342907201.db2.gz BGWVIWPSSBPKEU-CYBMUJFWSA-N 2 2 289.383 1.175 10 30 CDEELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC(CC#N)C3)c2cc1C ZINC000594716130 342947133 /nfs/dbraw/zinc/94/71/33/342947133.db2.gz JTJRAGWSQYPWJQ-HNNXBMFYSA-N 2 2 298.390 1.860 10 30 CDEELP Cc1nsc(NCC[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596425939 343311951 /nfs/dbraw/zinc/31/19/51/343311951.db2.gz YYGIAIDOCHNYMM-UHFFFAOYSA-N 2 2 281.429 1.619 10 30 CDEELP Cc1nsc(NCC[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596425939 343311953 /nfs/dbraw/zinc/31/19/53/343311953.db2.gz YYGIAIDOCHNYMM-UHFFFAOYSA-N 2 2 281.429 1.619 10 30 CDEELP Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1C#N ZINC000600710577 349877055 /nfs/dbraw/zinc/87/70/55/349877055.db2.gz OXJJBRFBPXAQFC-HNNXBMFYSA-N 2 2 259.353 1.416 10 30 CDEELP Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1C#N ZINC000600710577 349877058 /nfs/dbraw/zinc/87/70/58/349877058.db2.gz OXJJBRFBPXAQFC-HNNXBMFYSA-N 2 2 259.353 1.416 10 30 CDEELP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000598726773 343886141 /nfs/dbraw/zinc/88/61/41/343886141.db2.gz BGHRPTMSGXVVDJ-WDEREUQCSA-N 2 2 262.357 1.157 10 30 CDEELP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000598726773 343886142 /nfs/dbraw/zinc/88/61/42/343886142.db2.gz BGHRPTMSGXVVDJ-WDEREUQCSA-N 2 2 262.357 1.157 10 30 CDEELP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602082117 344328467 /nfs/dbraw/zinc/32/84/67/344328467.db2.gz HFYMPHIAPNTWMT-CHWSQXEVSA-N 2 2 289.383 1.207 10 30 CDEELP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602082117 344328469 /nfs/dbraw/zinc/32/84/69/344328469.db2.gz HFYMPHIAPNTWMT-CHWSQXEVSA-N 2 2 289.383 1.207 10 30 CDEELP C=C(Br)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000085289484 179005763 /nfs/dbraw/zinc/00/57/63/179005763.db2.gz YSZTXMKJPQTCLV-UWVGGRQHSA-N 2 2 259.191 1.825 10 30 CDEELP C=C(Br)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000085289484 179005765 /nfs/dbraw/zinc/00/57/65/179005765.db2.gz YSZTXMKJPQTCLV-UWVGGRQHSA-N 2 2 259.191 1.825 10 30 CDEELP COc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1C#N ZINC000571414344 359562864 /nfs/dbraw/zinc/56/28/64/359562864.db2.gz LZWNKWHKGXTIHQ-UHFFFAOYSA-N 2 2 297.362 1.612 10 30 CDEELP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265180505 360218015 /nfs/dbraw/zinc/21/80/15/360218015.db2.gz DUXVUUMBAMAKTF-UHFFFAOYSA-N 2 2 287.407 1.837 10 30 CDEELP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265180505 360218020 /nfs/dbraw/zinc/21/80/20/360218020.db2.gz DUXVUUMBAMAKTF-UHFFFAOYSA-N 2 2 287.407 1.837 10 30 CDEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620050 375883688 /nfs/dbraw/zinc/88/36/88/375883688.db2.gz OFZLJHFIVYPHCF-AEGPPILISA-N 2 2 298.390 1.379 10 30 CDEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620050 375883693 /nfs/dbraw/zinc/88/36/93/375883693.db2.gz OFZLJHFIVYPHCF-AEGPPILISA-N 2 2 298.390 1.379 10 30 CDEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620050 375883700 /nfs/dbraw/zinc/88/37/00/375883700.db2.gz OFZLJHFIVYPHCF-AEGPPILISA-N 2 2 298.390 1.379 10 30 CDEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620050 375883703 /nfs/dbraw/zinc/88/37/03/375883703.db2.gz OFZLJHFIVYPHCF-AEGPPILISA-N 2 2 298.390 1.379 10 30 CDEELP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001662772595 1172593261 /nfs/dbraw/zinc/59/32/61/1172593261.db2.gz IRMMIHFGLZWZGU-GJZGRUSLSA-N 2 2 288.395 1.314 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nn1 ZINC000655937601 412954137 /nfs/dbraw/zinc/95/41/37/412954137.db2.gz BXEJUPHGAMWTRA-STQMWFEESA-N 2 2 263.389 1.413 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nn1 ZINC000655937601 412954141 /nfs/dbraw/zinc/95/41/41/412954141.db2.gz BXEJUPHGAMWTRA-STQMWFEESA-N 2 2 263.389 1.413 10 30 CDEELP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C1CC[NH+](C)CC1 ZINC000043688823 175096060 /nfs/dbraw/zinc/09/60/60/175096060.db2.gz VIDFKVWOYWLMHX-UHFFFAOYSA-N 3 2 277.437 1.584 10 30 CDEELP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C1CC[NH+](C)CC1 ZINC000043688823 175096062 /nfs/dbraw/zinc/09/60/62/175096062.db2.gz VIDFKVWOYWLMHX-UHFFFAOYSA-N 3 2 277.437 1.584 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@H+](CCOC)[C@@H](C)COC ZINC000045318890 175359098 /nfs/dbraw/zinc/35/90/98/175359098.db2.gz PALPSBLHAPDIIS-GJZGRUSLSA-N 2 2 285.432 1.642 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCC[N@@H+](CCOC)[C@@H](C)COC ZINC000045318890 175359100 /nfs/dbraw/zinc/35/91/00/175359100.db2.gz PALPSBLHAPDIIS-GJZGRUSLSA-N 2 2 285.432 1.642 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001665850077 1173072702 /nfs/dbraw/zinc/07/27/02/1173072702.db2.gz MVTZMWBPMJDVGL-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP C=CCC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001667638006 1173303808 /nfs/dbraw/zinc/30/38/08/1173303808.db2.gz CITDRNJDUXGRLD-UHFFFAOYSA-N 2 2 297.443 1.064 10 30 CDEELP C=CCC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001667638006 1173303816 /nfs/dbraw/zinc/30/38/16/1173303816.db2.gz CITDRNJDUXGRLD-UHFFFAOYSA-N 2 2 297.443 1.064 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267153558 1159140339 /nfs/dbraw/zinc/14/03/39/1159140339.db2.gz LJUHERUUMYFOKF-LBPRGKRZSA-N 2 2 278.400 1.711 10 30 CDEELP CCCN[C@@H](C#N)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000062437223 519982962 /nfs/dbraw/zinc/98/29/62/519982962.db2.gz PYCPWHJODMRMBW-CQSZACIVSA-N 2 2 266.433 1.684 10 30 CDEELP CCCN[C@@H](C#N)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000062437223 519982971 /nfs/dbraw/zinc/98/29/71/519982971.db2.gz PYCPWHJODMRMBW-CQSZACIVSA-N 2 2 266.433 1.684 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001717437228 1180672675 /nfs/dbraw/zinc/67/26/75/1180672675.db2.gz NFWWDOJPDWSMIG-NWDGAFQWSA-N 2 2 264.373 1.022 10 30 CDEELP CCC[NH2+][C@H](C#N)CCN1CC[NH+](CCC)CC1 ZINC000062368523 520059910 /nfs/dbraw/zinc/05/99/10/520059910.db2.gz WDSAFGFTBGLXDB-AWEZNQCLSA-N 2 2 252.406 1.296 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001689912408 1175304398 /nfs/dbraw/zinc/30/43/98/1175304398.db2.gz VWHWKUKJZLZTPB-DZGCQCFKSA-N 2 2 288.395 1.253 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC=C ZINC001670651663 1158675034 /nfs/dbraw/zinc/67/50/34/1158675034.db2.gz WOIDXUIKKKSPBH-HOTGVXAUSA-N 2 2 289.423 1.241 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC=C ZINC001670651663 1158675039 /nfs/dbraw/zinc/67/50/39/1158675039.db2.gz WOIDXUIKKKSPBH-HOTGVXAUSA-N 2 2 289.423 1.241 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC=C ZINC001670651663 1158675048 /nfs/dbraw/zinc/67/50/48/1158675048.db2.gz WOIDXUIKKKSPBH-HOTGVXAUSA-N 2 2 289.423 1.241 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001566498593 1168311120 /nfs/dbraw/zinc/31/11/20/1168311120.db2.gz LHFQSMLFGYVEGJ-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001566498593 1168311127 /nfs/dbraw/zinc/31/11/27/1168311127.db2.gz LHFQSMLFGYVEGJ-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001566498593 1168311130 /nfs/dbraw/zinc/31/11/30/1168311130.db2.gz LHFQSMLFGYVEGJ-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001566498593 1168311135 /nfs/dbraw/zinc/31/11/35/1168311135.db2.gz LHFQSMLFGYVEGJ-ZDUSSCGKSA-N 2 2 276.384 1.050 10 30 CDEELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001567066688 1168543508 /nfs/dbraw/zinc/54/35/08/1168543508.db2.gz ZZTVPEPHYCFGRN-CQSZACIVSA-N 2 2 296.374 1.098 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001571544091 1170471365 /nfs/dbraw/zinc/47/13/65/1170471365.db2.gz JPXSISCHZFMIFO-ZIAGYGMSSA-N 2 2 290.411 1.793 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001661926212 1172467229 /nfs/dbraw/zinc/46/72/29/1172467229.db2.gz UDPXTFUELPVZFF-BFHYXJOUSA-N 2 2 286.379 1.117 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001661926212 1172467233 /nfs/dbraw/zinc/46/72/33/1172467233.db2.gz UDPXTFUELPVZFF-BFHYXJOUSA-N 2 2 286.379 1.117 10 30 CDEELP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001663396317 1172686973 /nfs/dbraw/zinc/68/69/73/1172686973.db2.gz KLYMEEFTNXAFKL-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001663396317 1172686980 /nfs/dbraw/zinc/68/69/80/1172686980.db2.gz KLYMEEFTNXAFKL-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C#CC[NH2+]C/C=C/CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001668872434 1173474687 /nfs/dbraw/zinc/47/46/87/1173474687.db2.gz IRCALRVPOOKIFT-NFAHFFEMSA-N 2 2 288.395 1.366 10 30 CDEELP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001675368938 1174106966 /nfs/dbraw/zinc/10/69/66/1174106966.db2.gz CHDXARKAEKLASR-RHSMWYFYSA-N 2 2 299.418 1.359 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001675997163 1174171826 /nfs/dbraw/zinc/17/18/26/1174171826.db2.gz FYJUBRFGUZXQTR-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001698730968 1175906218 /nfs/dbraw/zinc/90/62/18/1175906218.db2.gz IBUUWKFFJVKHAS-CQSZACIVSA-N 2 2 296.374 1.552 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001698977009 1176003442 /nfs/dbraw/zinc/00/34/42/1176003442.db2.gz DYKVMLOTYZPLTK-GFCCVEGCSA-N 2 2 264.373 1.259 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001699034681 1176052741 /nfs/dbraw/zinc/05/27/41/1176052741.db2.gz POXDQMJNRCIDKF-KBPBESRZSA-N 2 2 290.411 1.711 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C ZINC001700991559 1177229383 /nfs/dbraw/zinc/22/93/83/1177229383.db2.gz KUNCAWXLPIENCQ-ZDUSSCGKSA-N 2 2 276.384 1.027 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001707072203 1177939769 /nfs/dbraw/zinc/93/97/69/1177939769.db2.gz NFYRXUKXQQBIRN-KFWWJZLASA-N 2 2 290.411 1.895 10 30 CDEELP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714109946 1178978438 /nfs/dbraw/zinc/97/84/38/1178978438.db2.gz SORQUEOLSYDHOA-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714109946 1178978441 /nfs/dbraw/zinc/97/84/41/1178978441.db2.gz SORQUEOLSYDHOA-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715047662 1179527992 /nfs/dbraw/zinc/52/79/92/1179527992.db2.gz VAJNTXZTGIQYIQ-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715047662 1179527993 /nfs/dbraw/zinc/52/79/93/1179527993.db2.gz VAJNTXZTGIQYIQ-CQSZACIVSA-N 2 2 276.384 1.451 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715063923 1179536029 /nfs/dbraw/zinc/53/60/29/1179536029.db2.gz MRLBNLFMPOZQOQ-AWEZNQCLSA-N 2 2 292.427 1.987 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001716067278 1180028752 /nfs/dbraw/zinc/02/87/52/1180028752.db2.gz ZOBXLZYDXIYPKY-KBPBESRZSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497174 1180254366 /nfs/dbraw/zinc/25/43/66/1180254366.db2.gz IMEFIAPXQHDHTG-STQMWFEESA-N 2 2 264.373 1.457 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497174 1180254372 /nfs/dbraw/zinc/25/43/72/1180254372.db2.gz IMEFIAPXQHDHTG-STQMWFEESA-N 2 2 264.373 1.457 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001716669275 1180356186 /nfs/dbraw/zinc/35/61/86/1180356186.db2.gz KJNAOKCLFOPFDY-AWEZNQCLSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001716669275 1180356195 /nfs/dbraw/zinc/35/61/95/1180356195.db2.gz KJNAOKCLFOPFDY-AWEZNQCLSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001716881395 1180451800 /nfs/dbraw/zinc/45/18/00/1180451800.db2.gz IHZCUUBPJWQHEI-INIZCTEOSA-N 2 2 290.411 1.678 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001717650778 1180774827 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C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001725050088 1181836608 /nfs/dbraw/zinc/83/66/08/1181836608.db2.gz POARLZPSOPYFSW-LBPRGKRZSA-N 2 2 262.357 1.061 10 30 CDEELP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001725050088 1181836612 /nfs/dbraw/zinc/83/66/12/1181836612.db2.gz POARLZPSOPYFSW-LBPRGKRZSA-N 2 2 262.357 1.061 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001725070613 1181843811 /nfs/dbraw/zinc/84/38/11/1181843811.db2.gz JSYXBIVISWJIPX-NWINJMCUSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731865651 1182636928 /nfs/dbraw/zinc/63/69/28/1182636928.db2.gz DLANFNQIYLOFIB-ZIAGYGMSSA-N 2 2 288.395 1.365 10 30 CDEELP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731865651 1182636932 /nfs/dbraw/zinc/63/69/32/1182636932.db2.gz DLANFNQIYLOFIB-ZIAGYGMSSA-N 2 2 288.395 1.365 10 30 CDEELP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731865651 1182636939 /nfs/dbraw/zinc/63/69/39/1182636939.db2.gz DLANFNQIYLOFIB-ZIAGYGMSSA-N 2 2 288.395 1.365 10 30 CDEELP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731865651 1182636942 /nfs/dbraw/zinc/63/69/42/1182636942.db2.gz DLANFNQIYLOFIB-ZIAGYGMSSA-N 2 2 288.395 1.365 10 30 CDEELP C#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC001732236094 1182876336 /nfs/dbraw/zinc/87/63/36/1182876336.db2.gz WAIPEMFYSIEFRT-ZDUSSCGKSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC001732236094 1182876345 /nfs/dbraw/zinc/87/63/45/1182876345.db2.gz WAIPEMFYSIEFRT-ZDUSSCGKSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[N@@H+](C)CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001732584872 1183028490 /nfs/dbraw/zinc/02/84/90/1183028490.db2.gz OCRICQIWGUESHS-UHFFFAOYSA-N 2 2 278.400 1.503 10 30 CDEELP C=CC[N@H+](C)CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001732584872 1183028496 /nfs/dbraw/zinc/02/84/96/1183028496.db2.gz OCRICQIWGUESHS-UHFFFAOYSA-N 2 2 278.400 1.503 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001733336475 1183400513 /nfs/dbraw/zinc/40/05/13/1183400513.db2.gz VFCUSLCYXPSPQX-UONOGXRCSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001733429951 1183431421 /nfs/dbraw/zinc/43/14/21/1183431421.db2.gz RBXPPIHLLZYFSS-QGZVFWFLSA-N 2 2 298.390 1.962 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000878288443 736815828 /nfs/dbraw/zinc/81/58/28/736815828.db2.gz WYZPMKLERUHRQR-ZDUSSCGKSA-N 2 2 265.357 1.631 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878288443 736815829 /nfs/dbraw/zinc/81/58/29/736815829.db2.gz WYZPMKLERUHRQR-ZDUSSCGKSA-N 2 2 265.357 1.631 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000880608819 737866216 /nfs/dbraw/zinc/86/62/16/737866216.db2.gz KLSKNHDIMQOOAX-ZNMIVQPWSA-N 2 2 277.412 1.025 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC000880608819 737866219 /nfs/dbraw/zinc/86/62/19/737866219.db2.gz KLSKNHDIMQOOAX-ZNMIVQPWSA-N 2 2 277.412 1.025 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](CC)[C@@H](C)C1 ZINC000880608819 737866220 /nfs/dbraw/zinc/86/62/20/737866220.db2.gz KLSKNHDIMQOOAX-ZNMIVQPWSA-N 2 2 277.412 1.025 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](CC)[C@@H](C)C1 ZINC000880608819 737866221 /nfs/dbraw/zinc/86/62/21/737866221.db2.gz KLSKNHDIMQOOAX-ZNMIVQPWSA-N 2 2 277.412 1.025 10 30 CDEELP C=CCN1CC[C@H]([NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931315325 738991129 /nfs/dbraw/zinc/99/11/29/738991129.db2.gz WSZAOFSTSGCMEL-BPUTZDHNSA-N 2 2 277.412 1.047 10 30 CDEELP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001567196946 1168616477 /nfs/dbraw/zinc/61/64/77/1168616477.db2.gz SZKNQBDBORHICU-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001567196946 1168616478 /nfs/dbraw/zinc/61/64/78/1168616478.db2.gz SZKNQBDBORHICU-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001266624476 895617823 /nfs/dbraw/zinc/61/78/23/895617823.db2.gz DQKQRCNZDBRITP-MGPQQGTHSA-N 2 2 276.384 1.647 10 30 CDEELP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267548744 898323948 /nfs/dbraw/zinc/32/39/48/898323948.db2.gz MDRRVKHAUTWWKU-AWEZNQCLSA-N 2 2 288.395 1.207 10 30 CDEELP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267548744 898323965 /nfs/dbraw/zinc/32/39/65/898323965.db2.gz MDRRVKHAUTWWKU-AWEZNQCLSA-N 2 2 288.395 1.207 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267790140 899731361 /nfs/dbraw/zinc/73/13/61/899731361.db2.gz KWPXUYXPRNTULP-HUUCEWRRSA-N 2 2 290.411 1.943 10 30 CDEELP C#CC[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001268807628 903146067 /nfs/dbraw/zinc/14/60/67/903146067.db2.gz SJVNKSQWYNLWDQ-UHFFFAOYSA-N 2 2 273.380 1.692 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001483772036 914816667 /nfs/dbraw/zinc/81/66/67/914816667.db2.gz VCCKSJBOGMKLNF-ZDUSSCGKSA-N 2 2 274.368 1.096 10 30 CDEELP C=C(C)C[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567842950 1169012821 /nfs/dbraw/zinc/01/28/21/1169012821.db2.gz VJLLIIPIXHGCHF-CYBMUJFWSA-N 2 2 276.384 1.458 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001271021434 905561313 /nfs/dbraw/zinc/56/13/13/905561313.db2.gz MYAOPMHEWIPTGR-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001482478779 906111912 /nfs/dbraw/zinc/11/19/12/906111912.db2.gz AGUTZECUYCHEKD-HUUCEWRRSA-N 2 2 288.395 1.123 10 30 CDEELP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001271751224 906774763 /nfs/dbraw/zinc/77/47/63/906774763.db2.gz MOVWHKWPLOBICP-DOMZBBRYSA-N 2 2 290.411 1.663 10 30 CDEELP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001271783035 906805330 /nfs/dbraw/zinc/80/53/30/906805330.db2.gz NWCILHPWYYRBCF-HDJSIYSDSA-N 2 2 288.395 1.098 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)Cc1[nH]c[nH+]c1C ZINC001483088480 909305710 /nfs/dbraw/zinc/30/57/10/909305710.db2.gz RPHHUFUGTSETJU-PLNGDYQASA-N 2 2 262.357 1.099 10 30 CDEELP C=C(C)C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001273584140 921567232 /nfs/dbraw/zinc/56/72/32/921567232.db2.gz LUXJGJBQBOQXDR-UHFFFAOYSA-N 2 2 278.400 1.617 10 30 CDEELP C=C(C)C[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001273584140 921567241 /nfs/dbraw/zinc/56/72/41/921567241.db2.gz LUXJGJBQBOQXDR-UHFFFAOYSA-N 2 2 278.400 1.617 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001483436077 911120013 /nfs/dbraw/zinc/12/00/13/911120013.db2.gz AMTIESGPGKAMHE-DZGCQCFKSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001483436077 911120021 /nfs/dbraw/zinc/12/00/21/911120021.db2.gz AMTIESGPGKAMHE-DZGCQCFKSA-N 2 2 290.411 1.793 10 30 CDEELP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484543883 915863885 /nfs/dbraw/zinc/86/38/85/915863885.db2.gz 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ZINC001283092502 942821318 /nfs/dbraw/zinc/82/13/18/942821318.db2.gz QRHQCDDHRYEPKA-IHRRRGAJSA-N 2 2 290.411 1.791 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001284002774 943046487 /nfs/dbraw/zinc/04/64/87/943046487.db2.gz YHRBUTMRQYGREF-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001480053554 971555060 /nfs/dbraw/zinc/55/50/60/971555060.db2.gz NPCGRIDAEPMCSF-BXUZGUMPSA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001480053554 971555064 /nfs/dbraw/zinc/55/50/64/971555064.db2.gz NPCGRIDAEPMCSF-BXUZGUMPSA-N 2 2 276.384 1.259 10 30 CDEELP C=CC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324655321 953500604 /nfs/dbraw/zinc/50/06/04/953500604.db2.gz ATYCOKNJUBTERA-ZFWWWQNUSA-N 2 2 276.384 1.601 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001325469375 953914285 /nfs/dbraw/zinc/91/42/85/953914285.db2.gz XYLAEXFJHXLIDC-TZMCWYRMSA-N 2 2 290.411 1.663 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001569168365 1169700269 /nfs/dbraw/zinc/70/02/69/1169700269.db2.gz IEZHVXHLSNNVNP-DZGCQCFKSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001569170618 1169700425 /nfs/dbraw/zinc/70/04/25/1169700425.db2.gz SGTGQHGIIHBEIR-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001326482120 954399967 /nfs/dbraw/zinc/39/99/67/954399967.db2.gz WBCQTRHYIUMAIY-CYBMUJFWSA-N 2 2 296.374 1.552 10 30 CDEELP C=C(C)C[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001493430871 972050258 /nfs/dbraw/zinc/05/02/58/972050258.db2.gz VTTMOBYSAAVOMF-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001493430871 972050263 /nfs/dbraw/zinc/05/02/63/972050263.db2.gz VTTMOBYSAAVOMF-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP 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COc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000619652595 347678345 /nfs/dbraw/zinc/67/83/45/347678345.db2.gz UAXSTBJNKRXEGO-CQSZACIVSA-N 2 2 259.353 1.751 10 30 CDEELP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(C3CCC3)CCC2)CC1 ZINC000491371637 365134493 /nfs/dbraw/zinc/13/44/93/365134493.db2.gz GAWIQGWNAHMNDG-UHFFFAOYSA-N 2 2 289.423 1.076 10 30 CDEELP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000385992592 366905163 /nfs/dbraw/zinc/90/51/63/366905163.db2.gz BCXCYRTXENPMFJ-JTQLQIEISA-N 2 2 262.382 1.589 10 30 CDEELP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000385992592 366905171 /nfs/dbraw/zinc/90/51/71/366905171.db2.gz BCXCYRTXENPMFJ-JTQLQIEISA-N 2 2 262.382 1.589 10 30 CDEELP C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000528424838 367838997 /nfs/dbraw/zinc/83/89/97/367838997.db2.gz NNTZXJLKJZEYOK-QLFBSQMISA-N 2 2 288.395 1.821 10 30 CDEELP C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000528424838 367839004 /nfs/dbraw/zinc/83/90/04/367839004.db2.gz NNTZXJLKJZEYOK-QLFBSQMISA-N 2 2 288.395 1.821 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nn1 ZINC000655939837 412953406 /nfs/dbraw/zinc/95/34/06/412953406.db2.gz LJWVVIINEAUGLB-RDBSUJKOSA-N 2 2 277.416 1.659 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nn1 ZINC000655939837 412953412 /nfs/dbraw/zinc/95/34/12/412953412.db2.gz LJWVVIINEAUGLB-RDBSUJKOSA-N 2 2 277.416 1.659 10 30 CDEELP C=CCCn1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])nn1 ZINC000655942016 412954388 /nfs/dbraw/zinc/95/43/88/412954388.db2.gz IUPGRWKUZJLMIC-DZGCQCFKSA-N 2 2 277.416 1.804 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])nn1 ZINC000655942016 412954393 /nfs/dbraw/zinc/95/43/93/412954393.db2.gz IUPGRWKUZJLMIC-DZGCQCFKSA-N 2 2 277.416 1.804 10 30 CDEELP C=CCCn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000657469554 414363977 /nfs/dbraw/zinc/36/39/77/414363977.db2.gz IYNUTPGWLROSKX-NSHDSACASA-N 2 2 272.356 1.224 10 30 CDEELP C=CCCn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000657469554 414363983 /nfs/dbraw/zinc/36/39/83/414363983.db2.gz IYNUTPGWLROSKX-NSHDSACASA-N 2 2 272.356 1.224 10 30 CDEELP CCC[NH+]1CCN(CC[C@](C)(C#N)[NH2+]CC)CC1 ZINC000045178747 175324105 /nfs/dbraw/zinc/32/41/05/175324105.db2.gz LVYCQEOHKBBFAQ-CQSZACIVSA-N 2 2 252.406 1.296 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045314333 175357149 /nfs/dbraw/zinc/35/71/49/175357149.db2.gz HHQYQTDTCMUVPZ-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000045314333 175357150 /nfs/dbraw/zinc/35/71/50/175357150.db2.gz HHQYQTDTCMUVPZ-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190763 176067474 /nfs/dbraw/zinc/06/74/74/176067474.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 3 2 252.406 1.152 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190763 176067476 /nfs/dbraw/zinc/06/74/76/176067476.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 3 2 252.406 1.152 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190763 176067477 /nfs/dbraw/zinc/06/74/77/176067477.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 3 2 252.406 1.152 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190763 176067478 /nfs/dbraw/zinc/06/74/78/176067478.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 3 2 252.406 1.152 10 30 CDEELP C[C@@H]1CSCC[NH+]1CC#CC[N@H+]1CCSC[C@@H]1C ZINC000341880207 263362214 /nfs/dbraw/zinc/36/22/14/263362214.db2.gz DEVHXHOXTWULJG-OKILXGFUSA-N 2 2 284.494 1.864 10 30 CDEELP C[C@@H]1CSCC[NH+]1CC#CC[N@@H+]1CCSC[C@@H]1C ZINC000341880207 263362217 /nfs/dbraw/zinc/36/22/17/263362217.db2.gz DEVHXHOXTWULJG-OKILXGFUSA-N 2 2 284.494 1.864 10 30 CDEELP C[C@@H]1CSCC[N@@H+]1CC#CC[NH+]1CCSC[C@@H]1C ZINC000341880207 263362221 /nfs/dbraw/zinc/36/22/21/263362221.db2.gz DEVHXHOXTWULJG-OKILXGFUSA-N 2 2 284.494 1.864 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001670274949 1173669902 /nfs/dbraw/zinc/66/99/02/1173669902.db2.gz HRBJPLLLNYCGRI-LLVKDONJSA-N 2 2 298.818 1.779 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001670274949 1173669905 /nfs/dbraw/zinc/66/99/05/1173669905.db2.gz HRBJPLLLNYCGRI-LLVKDONJSA-N 2 2 298.818 1.779 10 30 CDEELP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCc3c(Cl)cccc3C2)N1 ZINC000262667598 330025550 /nfs/dbraw/zinc/02/55/50/330025550.db2.gz PMFFEFILXRNEES-NSHDSACASA-N 2 2 292.814 1.635 10 30 CDEELP C[C@H]1C[NH+]=C(NCC[N@H+]2CCc3c(Cl)cccc3C2)N1 ZINC000262667598 330025552 /nfs/dbraw/zinc/02/55/52/330025552.db2.gz PMFFEFILXRNEES-NSHDSACASA-N 2 2 292.814 1.635 10 30 CDEELP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1ccc[nH]1 ZINC000262795237 330032041 /nfs/dbraw/zinc/03/20/41/330032041.db2.gz PIELMRNCEFOYOO-UHFFFAOYSA-N 2 2 295.456 1.071 10 30 CDEELP C=C(C)C[NH+]1CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001692229645 1159171644 /nfs/dbraw/zinc/17/16/44/1159171644.db2.gz HRGXMDMSVJGRDU-CQSZACIVSA-N 2 2 267.417 1.483 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483356390 1160912395 /nfs/dbraw/zinc/91/23/95/1160912395.db2.gz LADJRGJNCQQQLU-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483356390 1160912400 /nfs/dbraw/zinc/91/24/00/1160912400.db2.gz LADJRGJNCQQQLU-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP CC[C@H](C)[NH+]1CCN(CC[C@@H](C#N)[NH2+]C(C)C)CC1 ZINC000062438984 523954230 /nfs/dbraw/zinc/95/42/30/523954230.db2.gz JGTRRUXRRBSQCQ-GJZGRUSLSA-N 2 2 266.433 1.683 10 30 CDEELP C[NH+](C)C1CC[NH+](CC[C@@H](C#N)NC2CC2)CC1 ZINC000062434965 524040257 /nfs/dbraw/zinc/04/02/57/524040257.db2.gz FTDYCJGBNPYIQS-ZDUSSCGKSA-N 2 2 250.390 1.047 10 30 CDEELP C[C@H]1CC[C@@H](C#N)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061644278 524328908 /nfs/dbraw/zinc/32/89/08/524328908.db2.gz HSVJRGCVPOUFLA-HRCADAONSA-N 2 2 278.444 1.494 10 30 CDEELP C[C@@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609137 525127754 /nfs/dbraw/zinc/12/77/54/525127754.db2.gz MXPMFSNIDVWNRV-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C[C@@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609137 525127759 /nfs/dbraw/zinc/12/77/59/525127759.db2.gz MXPMFSNIDVWNRV-GFCCVEGCSA-N 2 2 262.328 1.357 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H](Nc2nccn3c[nH+]cc23)C1 ZINC000895201282 619452658 /nfs/dbraw/zinc/45/26/58/619452658.db2.gz NCLKMDFNARFAQV-GFCCVEGCSA-N 2 2 255.325 1.239 10 30 CDEELP C#CC[N@H+]1CCC[C@@H](Nc2nccn3c[nH+]cc23)C1 ZINC000895201282 619452661 /nfs/dbraw/zinc/45/26/61/619452661.db2.gz NCLKMDFNARFAQV-GFCCVEGCSA-N 2 2 255.325 1.239 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670697071 1158697076 /nfs/dbraw/zinc/69/70/76/1158697076.db2.gz UTPQBMJNOSZLPX-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001670697071 1158697080 /nfs/dbraw/zinc/69/70/80/1158697080.db2.gz UTPQBMJNOSZLPX-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670697071 1158697084 /nfs/dbraw/zinc/69/70/84/1158697084.db2.gz UTPQBMJNOSZLPX-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001670697071 1158697089 /nfs/dbraw/zinc/69/70/89/1158697089.db2.gz UTPQBMJNOSZLPX-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001700091250 1158911720 /nfs/dbraw/zinc/91/17/20/1158911720.db2.gz WNJCYLAPVZNKSO-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691410665 1159060375 /nfs/dbraw/zinc/06/03/75/1159060375.db2.gz RPVCANVKJITXKQ-ZDUSSCGKSA-N 2 2 276.384 1.071 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691410665 1159060383 /nfs/dbraw/zinc/06/03/83/1159060383.db2.gz RPVCANVKJITXKQ-ZDUSSCGKSA-N 2 2 276.384 1.071 10 30 CDEELP C=C(C)C[NH+]1CC(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001692229644 1159171801 /nfs/dbraw/zinc/17/18/01/1159171801.db2.gz HRGXMDMSVJGRDU-AWEZNQCLSA-N 2 2 267.417 1.483 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001691533925 1160597442 /nfs/dbraw/zinc/59/74/42/1160597442.db2.gz LNKREDXXANYWGW-JOCQHMNTSA-N 2 2 276.384 1.023 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001566906380 1168461818 /nfs/dbraw/zinc/46/18/18/1168461818.db2.gz KTHBHZVWDZBMPG-KBPBESRZSA-N 2 2 288.395 1.050 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001566906380 1168461821 /nfs/dbraw/zinc/46/18/21/1168461821.db2.gz KTHBHZVWDZBMPG-KBPBESRZSA-N 2 2 288.395 1.050 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001571465599 1170440552 /nfs/dbraw/zinc/44/05/52/1170440552.db2.gz HSSNPLSNRAWJNL-ZIAGYGMSSA-N 2 2 290.411 1.806 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001667728973 1173316989 /nfs/dbraw/zinc/31/69/89/1173316989.db2.gz PKSPCVXIVGEYHL-HIFRSBDPSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001667728973 1173316996 /nfs/dbraw/zinc/31/69/96/1173316996.db2.gz PKSPCVXIVGEYHL-HIFRSBDPSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001672339393 1173766959 /nfs/dbraw/zinc/76/69/59/1173766959.db2.gz VVLROTZFVXRBRA-CABCVRRESA-N 2 2 290.411 1.533 10 30 CDEELP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001676945185 1174298347 /nfs/dbraw/zinc/29/83/47/1174298347.db2.gz ILJRHZYUOQALGL-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001689270315 1175132688 /nfs/dbraw/zinc/13/26/88/1175132688.db2.gz LXHBGIWAZMUXHX-AWEZNQCLSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001690779357 1175572245 /nfs/dbraw/zinc/57/22/45/1175572245.db2.gz AODMDMFEZTVXEY-STQMWFEESA-N 2 2 276.384 1.545 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]ccc1OC ZINC001698830909 1175954891 /nfs/dbraw/zinc/95/48/91/1175954891.db2.gz PDWRZWDXFHAFOL-LBPRGKRZSA-N 2 2 277.368 1.255 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699368918 1176326295 /nfs/dbraw/zinc/32/62/95/1176326295.db2.gz KZUQOYQCXCYVBW-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699440874 1176404980 /nfs/dbraw/zinc/40/49/80/1176404980.db2.gz HPZAJQRKJKFRQO-CYBMUJFWSA-N 2 2 290.411 1.384 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823344 1176643720 /nfs/dbraw/zinc/64/37/20/1176643720.db2.gz IBVFMPUGQUSZJO-MRXNPFEDSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001699823344 1176643728 /nfs/dbraw/zinc/64/37/28/1176643728.db2.gz IBVFMPUGQUSZJO-MRXNPFEDSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001700259753 1176819714 /nfs/dbraw/zinc/81/97/14/1176819714.db2.gz KINZYCDNRHMIPP-GXTWGEPZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001700259753 1176819724 /nfs/dbraw/zinc/81/97/24/1176819724.db2.gz KINZYCDNRHMIPP-GXTWGEPZSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001707054650 1177927474 /nfs/dbraw/zinc/92/74/74/1177927474.db2.gz BJKMYGYOMVCMRJ-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001707054650 1177927480 /nfs/dbraw/zinc/92/74/80/1177927480.db2.gz BJKMYGYOMVCMRJ-CQSZACIVSA-N 2 2 276.384 1.382 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001713002817 1178293103 /nfs/dbraw/zinc/29/31/03/1178293103.db2.gz OPAZJQVOTPKCJB-KBPBESRZSA-N 2 2 288.395 1.335 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001713440038 1178558604 /nfs/dbraw/zinc/55/86/04/1178558604.db2.gz LDQCRDBTBRYXPH-CQSZACIVSA-N 2 2 288.395 1.336 10 30 CDEELP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001713440038 1178558611 /nfs/dbraw/zinc/55/86/11/1178558611.db2.gz LDQCRDBTBRYXPH-CQSZACIVSA-N 2 2 288.395 1.336 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001715239027 1179592657 /nfs/dbraw/zinc/59/26/57/1179592657.db2.gz MVSPZWDGZJRWAF-KGLIPLIRSA-N 2 2 290.411 1.364 10 30 CDEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001715703828 1179770432 /nfs/dbraw/zinc/77/04/32/1179770432.db2.gz TZYGZLMLLLTPLW-GFCCVEGCSA-N 2 2 278.400 1.711 10 30 CDEELP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001715839920 1179861087 /nfs/dbraw/zinc/86/10/87/1179861087.db2.gz VFFBNQCCMNIUIV-ZRUQZJFASA-N 2 2 288.395 1.284 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C ZINC001715855651 1179875160 /nfs/dbraw/zinc/87/51/60/1179875160.db2.gz RNLPGRDUBWJWHC-SNAWJCMRSA-N 2 2 276.384 1.191 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001715923070 1179916704 /nfs/dbraw/zinc/91/67/04/1179916704.db2.gz OKRNDQYRYXJDPL-UHFFFAOYSA-N 2 2 264.373 1.240 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001715923070 1179916706 /nfs/dbraw/zinc/91/67/06/1179916706.db2.gz OKRNDQYRYXJDPL-UHFFFAOYSA-N 2 2 264.373 1.240 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC ZINC001716640146 1180320013 /nfs/dbraw/zinc/32/00/13/1180320013.db2.gz XFMBKYZREGTZJC-ZIAGYGMSSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001717241044 1180587027 /nfs/dbraw/zinc/58/70/27/1180587027.db2.gz VGJKDLTWLXCCAA-UHFFFAOYSA-N 2 2 288.395 1.336 10 30 CDEELP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717497108 1180710836 /nfs/dbraw/zinc/71/08/36/1180710836.db2.gz YHIGVAIQPQXDDT-NSHDSACASA-N 2 2 264.373 1.273 10 30 CDEELP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001717497108 1180710843 /nfs/dbraw/zinc/71/08/43/1180710843.db2.gz YHIGVAIQPQXDDT-NSHDSACASA-N 2 2 264.373 1.273 10 30 CDEELP C=CC[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)C(C)C ZINC001717517751 1180719803 /nfs/dbraw/zinc/71/98/03/1180719803.db2.gz QYKZYYJTWLXWKB-AWEZNQCLSA-N 2 2 278.400 1.532 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001717872780 1180906370 /nfs/dbraw/zinc/90/63/70/1180906370.db2.gz LAFGIHVDUTZEER-KGLIPLIRSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001717872780 1180906377 /nfs/dbraw/zinc/90/63/77/1180906377.db2.gz LAFGIHVDUTZEER-KGLIPLIRSA-N 2 2 288.395 1.240 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC001717895950 1180918821 /nfs/dbraw/zinc/91/88/21/1180918821.db2.gz WUQMECCVZHFNCQ-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC001717895950 1180918825 /nfs/dbraw/zinc/91/88/25/1180918825.db2.gz WUQMECCVZHFNCQ-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001724183028 1181650280 /nfs/dbraw/zinc/65/02/80/1181650280.db2.gz GDQQIEMPWCYKEE-OAHLLOKOSA-N 2 2 276.384 1.417 10 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288.395 1.266 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001491059916 936847403 /nfs/dbraw/zinc/84/74/03/936847403.db2.gz DQKQRCNZDBRITP-MCIONIFRSA-N 2 2 276.384 1.647 10 30 CDEELP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001275423735 931784770 /nfs/dbraw/zinc/78/47/70/931784770.db2.gz JIFWIOVWLUAHHB-NEPJUHHUSA-N 2 2 277.368 1.302 10 30 CDEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001277020164 941823516 /nfs/dbraw/zinc/82/35/16/941823516.db2.gz VLGUXPMLZRSAEW-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001277266198 942265408 /nfs/dbraw/zinc/26/54/08/942265408.db2.gz BMHYISRGRFQGBP-CYBMUJFWSA-N 2 2 276.384 1.476 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001280455109 942446094 /nfs/dbraw/zinc/44/60/94/942446094.db2.gz AVHYDKOLTPUCTJ-CQSZACIVSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001281429141 942574644 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CDEELP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001265540075 944421900 /nfs/dbraw/zinc/42/19/00/944421900.db2.gz FCZXGDPWANVYTD-GASCZTMLSA-N 2 2 296.374 1.516 10 30 CDEELP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266075380 944666951 /nfs/dbraw/zinc/66/69/51/944666951.db2.gz MRYZVEKUWUKXEJ-KGLIPLIRSA-N 2 2 288.395 1.003 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001279017702 948603932 /nfs/dbraw/zinc/60/39/32/948603932.db2.gz MYANOEDIAKDVDR-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001480145527 971601650 /nfs/dbraw/zinc/60/16/50/971601650.db2.gz ZBDREYFPPKPKOK-HDJSIYSDSA-N 2 2 289.379 1.446 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001480381930 971696232 /nfs/dbraw/zinc/69/62/32/971696232.db2.gz GCZJSKLBBLCOFS-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001480381930 971696233 /nfs/dbraw/zinc/69/62/33/971696233.db2.gz GCZJSKLBBLCOFS-STQMWFEESA-N 2 2 276.384 1.355 10 30 CDEELP CC[NH+](CC)C1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001365265348 955793598 /nfs/dbraw/zinc/79/35/98/955793598.db2.gz OQOUXDHOJRTXET-HNNXBMFYSA-N 2 2 279.428 1.847 10 30 CDEELP CC#CC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001329848031 956141758 /nfs/dbraw/zinc/14/17/58/956141758.db2.gz HQXMIDYNUJWUIS-UHFFFAOYSA-N 2 2 288.395 1.384 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001331519240 957113106 /nfs/dbraw/zinc/11/31/06/957113106.db2.gz VUULYNBYVZSULC-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317018468 957207032 /nfs/dbraw/zinc/20/70/32/957207032.db2.gz IUNJNOAIFLHOQZ-OAHLLOKOSA-N 2 2 284.363 1.847 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001425015367 957445751 /nfs/dbraw/zinc/44/57/51/957445751.db2.gz WDBCYFDTVHHQRW-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001425015367 957445757 /nfs/dbraw/zinc/44/57/57/957445757.db2.gz WDBCYFDTVHHQRW-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425015367 957445760 /nfs/dbraw/zinc/44/57/60/957445760.db2.gz WDBCYFDTVHHQRW-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425015367 957445764 /nfs/dbraw/zinc/44/57/64/957445764.db2.gz WDBCYFDTVHHQRW-AAEUAGOBSA-N 2 2 287.835 1.517 10 30 CDEELP C=CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001317810181 957670827 /nfs/dbraw/zinc/67/08/27/957670827.db2.gz YSMIUYFWXXHKRU-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001317810181 957670832 /nfs/dbraw/zinc/67/08/32/957670832.db2.gz YSMIUYFWXXHKRU-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCCCCC ZINC001318219656 957980955 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C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494850682 972324019 /nfs/dbraw/zinc/32/40/19/972324019.db2.gz IYRMQXDJEPJUEU-KGLIPLIRSA-N 2 2 274.368 1.000 10 30 CDEELP C=CC[NH2+]C[C@@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001318709980 958240238 /nfs/dbraw/zinc/24/02/38/958240238.db2.gz APKOYANOFAXWLI-OAHLLOKOSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001367745669 958290192 /nfs/dbraw/zinc/29/01/92/958290192.db2.gz SPHKNMMDSZZSDH-RYUDHWBXSA-N 2 2 296.802 1.292 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001367745664 958290468 /nfs/dbraw/zinc/29/04/68/958290468.db2.gz SPHKNMMDSZZSDH-NWDGAFQWSA-N 2 2 296.802 1.292 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001495099375 972407349 /nfs/dbraw/zinc/40/73/49/972407349.db2.gz SEZVVUAHVOBOOC-GFCCVEGCSA-N 2 2 264.373 1.321 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001321857664 959989270 /nfs/dbraw/zinc/98/92/70/959989270.db2.gz YGMLESRKAZCCCA-ZDUSSCGKSA-N 2 2 290.411 1.432 10 30 CDEELP C=CCC[NH+]1CCC(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001495529269 972532012 /nfs/dbraw/zinc/53/20/12/972532012.db2.gz LDLJGIBSODLGFH-UHFFFAOYSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001569524414 1169910165 /nfs/dbraw/zinc/91/01/65/1169910165.db2.gz ZRLUXZZFRGABNS-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497459978 973357045 /nfs/dbraw/zinc/35/70/45/973357045.db2.gz IBXQDFFESGRWJC-AWEZNQCLSA-N 2 2 278.400 1.848 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497601713 973429715 /nfs/dbraw/zinc/42/97/15/973429715.db2.gz LXGAJJXQZQYGFU-FGTRRKKMSA-N 2 2 274.368 1.351 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497601713 973429720 /nfs/dbraw/zinc/42/97/20/973429720.db2.gz LXGAJJXQZQYGFU-FGTRRKKMSA-N 2 2 274.368 1.351 10 30 CDEELP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001498322564 973827912 /nfs/dbraw/zinc/82/79/12/973827912.db2.gz GYHYDSMKATXTFI-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001498322564 973827919 /nfs/dbraw/zinc/82/79/19/973827919.db2.gz GYHYDSMKATXTFI-QWHCGFSZSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001676879375 1174284921 /nfs/dbraw/zinc/28/49/21/1174284921.db2.gz MLGGAVPOZROWMB-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001676879375 1174284926 /nfs/dbraw/zinc/28/49/26/1174284926.db2.gz MLGGAVPOZROWMB-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000600756757 342247731 /nfs/dbraw/zinc/24/77/31/342247731.db2.gz PCPBWNIHZWIVFH-LSDHHAIUSA-N 2 2 277.412 1.648 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000600756757 342247732 /nfs/dbraw/zinc/24/77/32/342247732.db2.gz PCPBWNIHZWIVFH-LSDHHAIUSA-N 2 2 277.412 1.648 10 30 CDEELP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1C#N ZINC000595862369 343174485 /nfs/dbraw/zinc/17/44/85/343174485.db2.gz AZCUQQNSTYWTNN-GOSISDBHSA-N 2 2 299.418 1.898 10 30 CDEELP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1C#N ZINC000595862369 343174486 /nfs/dbraw/zinc/17/44/86/343174486.db2.gz AZCUQQNSTYWTNN-GOSISDBHSA-N 2 2 299.418 1.898 10 30 CDEELP COc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1C#N ZINC000600776240 349879172 /nfs/dbraw/zinc/87/91/72/349879172.db2.gz QDLJPAHFUCVUPI-SMDDNHRTSA-N 2 2 259.353 1.797 10 30 CDEELP CNC(NC[C@H](c1ccc(OC)cc1)[NH+](C)C)=[NH+]C ZINC000075126459 346101502 /nfs/dbraw/zinc/10/15/02/346101502.db2.gz ZLCLISCMOBNRFZ-CYBMUJFWSA-N 2 2 264.373 1.093 10 30 CDEELP CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449396725 362691403 /nfs/dbraw/zinc/69/14/03/362691403.db2.gz MMEZAHODEOLPMW-PCKAHOCUSA-N 2 2 279.428 1.895 10 30 CDEELP CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000449396725 362691409 /nfs/dbraw/zinc/69/14/09/362691409.db2.gz MMEZAHODEOLPMW-PCKAHOCUSA-N 2 2 279.428 1.895 10 30 CDEELP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1C#N ZINC000414909022 356709769 /nfs/dbraw/zinc/70/97/69/356709769.db2.gz BTCGSCWSQYJQDT-BXUZGUMPSA-N 2 2 259.353 1.654 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000358167528 367483487 /nfs/dbraw/zinc/48/34/87/367483487.db2.gz NDCTUQNTMCDCRI-UHFFFAOYSA-N 2 2 260.385 1.915 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001661435199 1172390667 /nfs/dbraw/zinc/39/06/67/1172390667.db2.gz JQJFJCZBUWLSJN-JOCQHMNTSA-N 2 2 262.357 1.155 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001661435199 1172390675 /nfs/dbraw/zinc/39/06/75/1172390675.db2.gz JQJFJCZBUWLSJN-JOCQHMNTSA-N 2 2 262.357 1.155 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001673458393 1172949453 /nfs/dbraw/zinc/94/94/53/1172949453.db2.gz XPYJDKOSHQVAHT-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001673458393 1172949460 /nfs/dbraw/zinc/94/94/60/1172949460.db2.gz XPYJDKOSHQVAHT-UHFFFAOYSA-N 2 2 278.400 1.319 10 30 CDEELP C=CC[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CCC[NH2+]1 ZINC000662737338 413409756 /nfs/dbraw/zinc/40/97/56/413409756.db2.gz YILSRKNXLUZELB-HNNXBMFYSA-N 2 2 270.336 1.971 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748181 174393445 /nfs/dbraw/zinc/39/34/45/174393445.db2.gz NVLQTFPOZIZGCP-XYPWUTKMSA-N 2 2 291.439 1.792 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748181 174393446 /nfs/dbraw/zinc/39/34/46/174393446.db2.gz NVLQTFPOZIZGCP-XYPWUTKMSA-N 2 2 291.439 1.792 10 30 CDEELP N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044559116 175203560 /nfs/dbraw/zinc/20/35/60/175203560.db2.gz QGTUPJSPFDFYTH-OAHLLOKOSA-N 2 2 286.379 1.700 10 30 CDEELP N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044559116 175203561 /nfs/dbraw/zinc/20/35/61/175203561.db2.gz QGTUPJSPFDFYTH-OAHLLOKOSA-N 2 2 286.379 1.700 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(C(N)=O)CC1 ZINC000045306080 175355649 /nfs/dbraw/zinc/35/56/49/175355649.db2.gz HDRGONNBAMPIMJ-MRXNPFEDSA-N 2 2 294.443 1.636 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307866 175356676 /nfs/dbraw/zinc/35/66/76/175356676.db2.gz WHLDGWIEAYQOPJ-AWEZNQCLSA-N 3 2 252.406 1.294 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307866 175356677 /nfs/dbraw/zinc/35/66/77/175356677.db2.gz WHLDGWIEAYQOPJ-AWEZNQCLSA-N 3 2 252.406 1.294 10 30 CDEELP C=CC[NH2+][C@@H](CC)CNC(=O)CCc1c[nH+]cn1C ZINC001665879314 1173077271 /nfs/dbraw/zinc/07/72/71/1173077271.db2.gz NMQZOELSRMTQAQ-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175726315 261244344 /nfs/dbraw/zinc/24/43/44/261244344.db2.gz UWZLALGTVJFIDN-CABCVRRESA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175726315 261244346 /nfs/dbraw/zinc/24/43/46/261244346.db2.gz UWZLALGTVJFIDN-CABCVRRESA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175726315 261244348 /nfs/dbraw/zinc/24/43/48/261244348.db2.gz UWZLALGTVJFIDN-CABCVRRESA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175726315 261244350 /nfs/dbraw/zinc/24/43/50/261244350.db2.gz UWZLALGTVJFIDN-CABCVRRESA-N 2 2 294.443 1.411 10 30 CDEELP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000515388676 267332424 /nfs/dbraw/zinc/33/24/24/267332424.db2.gz GFERSUCWSGCYPY-UHFFFAOYSA-N 2 2 291.370 1.634 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001667463338 1173273028 /nfs/dbraw/zinc/27/30/28/1173273028.db2.gz FPCAIOQDHLUVIB-AWEZNQCLSA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001667463338 1173273031 /nfs/dbraw/zinc/27/30/31/1173273031.db2.gz FPCAIOQDHLUVIB-AWEZNQCLSA-N 2 2 278.400 1.649 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001669887273 1173623981 /nfs/dbraw/zinc/62/39/81/1173623981.db2.gz DPDJYMCGFNKGNY-ZIAGYGMSSA-N 2 2 278.400 1.847 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001669887273 1173623985 /nfs/dbraw/zinc/62/39/85/1173623985.db2.gz DPDJYMCGFNKGNY-ZIAGYGMSSA-N 2 2 278.400 1.847 10 30 CDEELP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671912232 1173721631 /nfs/dbraw/zinc/72/16/31/1173721631.db2.gz JTVFHAKTUBNMQH-MRXNPFEDSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671912232 1173721635 /nfs/dbraw/zinc/72/16/35/1173721635.db2.gz JTVFHAKTUBNMQH-MRXNPFEDSA-N 2 2 288.395 1.194 10 30 CDEELP C[NH+]=C(NCC1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262471571 330015678 /nfs/dbraw/zinc/01/56/78/330015678.db2.gz PBOAGWVRNLTZQS-HNNXBMFYSA-N 2 2 294.443 1.159 10 30 CDEELP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262504785 330018454 /nfs/dbraw/zinc/01/84/54/330018454.db2.gz ZOGGGWZPAZBPQU-KKUMJFAQSA-N 2 2 294.443 1.014 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001691761239 1159207124 /nfs/dbraw/zinc/20/71/24/1159207124.db2.gz JYHHXPKLVHEGAA-KFWWJZLASA-N 2 2 290.411 1.722 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000225326078 333235375 /nfs/dbraw/zinc/23/53/75/333235375.db2.gz IYGQADSFQUTDJR-INIZCTEOSA-N 2 2 289.423 1.587 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000225326078 333235376 /nfs/dbraw/zinc/23/53/76/333235376.db2.gz IYGQADSFQUTDJR-INIZCTEOSA-N 2 2 289.423 1.587 10 30 CDEELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000575923555 335131422 /nfs/dbraw/zinc/13/14/22/335131422.db2.gz WKYLOYLWKZMRTN-BBRMVZONSA-N 2 2 273.380 1.609 10 30 CDEELP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001725514832 1159248147 /nfs/dbraw/zinc/24/81/47/1159248147.db2.gz XZOAJAPYPDFBFE-KBPBESRZSA-N 2 2 276.384 1.294 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483356402 1160912361 /nfs/dbraw/zinc/91/23/61/1160912361.db2.gz LADJRGJNCQQQLU-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483356402 1160912366 /nfs/dbraw/zinc/91/23/66/1160912366.db2.gz LADJRGJNCQQQLU-ZIAGYGMSSA-N 2 2 290.411 1.458 10 30 CDEELP CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760799 519975460 /nfs/dbraw/zinc/97/54/60/519975460.db2.gz KPUQJNXWDJLVPY-CQSZACIVSA-N 2 2 258.369 1.775 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001691684739 1161560835 /nfs/dbraw/zinc/56/08/35/1161560835.db2.gz GOFADVBFQXVPQW-YPMHNXCESA-N 2 2 262.357 1.107 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001691684739 1161560840 /nfs/dbraw/zinc/56/08/40/1161560840.db2.gz GOFADVBFQXVPQW-YPMHNXCESA-N 2 2 262.357 1.107 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001731734191 1182539862 /nfs/dbraw/zinc/53/98/62/1182539862.db2.gz KPXBSLJNUJOLPZ-CYBMUJFWSA-N 2 2 264.373 1.334 10 30 CDEELP CC[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000068760799 519975455 /nfs/dbraw/zinc/97/54/55/519975455.db2.gz KPUQJNXWDJLVPY-CQSZACIVSA-N 2 2 258.369 1.775 10 30 CDEELP CC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000068615130 520130723 /nfs/dbraw/zinc/13/07/23/520130723.db2.gz SQCVQMIWDGCZDU-JKSUJKDBSA-N 2 2 280.460 1.930 10 30 CDEELP CC1(C)C[N@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049609331 520474536 /nfs/dbraw/zinc/47/45/36/520474536.db2.gz WXYBBHHQXMHAJG-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP CC1(C)C[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049609331 520474547 /nfs/dbraw/zinc/47/45/47/520474547.db2.gz WXYBBHHQXMHAJG-UHFFFAOYSA-N 2 2 276.355 1.747 10 30 CDEELP CC[C@@H](C)[NH+]1CCN(C[C@]([NH3+])(C#N)C2CC2)CC1 ZINC000069082483 522123777 /nfs/dbraw/zinc/12/37/77/522123777.db2.gz GWWQPFCHWIVQDR-TZMCWYRMSA-N 2 2 250.390 1.034 10 30 CDEELP C[N@H+](Cc1ccc(C#CCO)cc1F)C1CC[NH+](C)CC1 ZINC000049616548 523205998 /nfs/dbraw/zinc/20/59/98/523205998.db2.gz JSECKMRXPCRXEA-UHFFFAOYSA-N 2 2 290.382 1.696 10 30 CDEELP C[N@@H+](Cc1ccc(C#CCO)cc1F)C1CC[NH+](C)CC1 ZINC000049616548 523206004 /nfs/dbraw/zinc/20/60/04/523206004.db2.gz JSECKMRXPCRXEA-UHFFFAOYSA-N 2 2 290.382 1.696 10 30 CDEELP C[N@H+](Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757673 523452121 /nfs/dbraw/zinc/45/21/21/523452121.db2.gz SZWSJLBAEOQEAM-NNQSOWQGSA-N 2 2 256.353 1.668 10 30 CDEELP C[N@@H+](Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757673 523452128 /nfs/dbraw/zinc/45/21/28/523452128.db2.gz SZWSJLBAEOQEAM-NNQSOWQGSA-N 2 2 256.353 1.668 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2ccccc2C#CC[NH3+])CC1 ZINC000049609195 524040512 /nfs/dbraw/zinc/04/05/12/524040512.db2.gz IDAPVLWAXXXAOY-UHFFFAOYSA-N 3 2 271.408 1.523 10 30 CDEELP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049239603 524963517 /nfs/dbraw/zinc/96/35/17/524963517.db2.gz FYWNAZSJOZVAIT-ZDUSSCGKSA-N 2 2 282.347 1.012 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000733325209 575114509 /nfs/dbraw/zinc/11/45/09/575114509.db2.gz DXBRJXUUJJPCGO-OAHLLOKOSA-N 2 2 258.365 1.882 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000733325209 575114510 /nfs/dbraw/zinc/11/45/10/575114510.db2.gz DXBRJXUUJJPCGO-OAHLLOKOSA-N 2 2 258.365 1.882 10 30 CDEELP C=C(C)CC[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001689853169 1175285134 /nfs/dbraw/zinc/28/51/34/1175285134.db2.gz GFRGJPRCBWDLEX-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=C(C)CC[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001689853169 1175285136 /nfs/dbraw/zinc/28/51/36/1175285136.db2.gz GFRGJPRCBWDLEX-UHFFFAOYSA-N 2 2 264.373 1.357 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061835 613535879 /nfs/dbraw/zinc/53/58/79/613535879.db2.gz RGTCDVQIXPNQGK-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061835 613535881 /nfs/dbraw/zinc/53/58/81/613535881.db2.gz RGTCDVQIXPNQGK-AWEZNQCLSA-N 2 2 290.411 1.745 10 30 CDEELP COc1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)ccc1C#N ZINC000925669100 617625779 /nfs/dbraw/zinc/62/57/79/617625779.db2.gz OYTSTICBMGHHDJ-IUKJFTNHSA-N 2 2 283.375 1.653 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001691083001 1158898165 /nfs/dbraw/zinc/89/81/65/1158898165.db2.gz QJEZUELVNVJGDG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001691083001 1158898172 /nfs/dbraw/zinc/89/81/72/1158898172.db2.gz QJEZUELVNVJGDG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001691083001 1158898182 /nfs/dbraw/zinc/89/81/82/1158898182.db2.gz QJEZUELVNVJGDG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001691083001 1158898192 /nfs/dbraw/zinc/89/81/92/1158898192.db2.gz QJEZUELVNVJGDG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001691117148 1158919310 /nfs/dbraw/zinc/91/93/10/1158919310.db2.gz JVMOCNMIBLPXFR-MELADBBJSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691117148 1158919313 /nfs/dbraw/zinc/91/93/13/1158919313.db2.gz JVMOCNMIBLPXFR-MELADBBJSA-N 2 2 288.395 1.096 10 30 CDEELP C=CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001691146184 1158932572 /nfs/dbraw/zinc/93/25/72/1158932572.db2.gz PAODNYKJSCCRGY-CQSZACIVSA-N 2 2 290.411 1.551 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001691146184 1158932576 /nfs/dbraw/zinc/93/25/76/1158932576.db2.gz PAODNYKJSCCRGY-CQSZACIVSA-N 2 2 290.411 1.551 10 30 CDEELP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565835806 1168179137 /nfs/dbraw/zinc/17/91/37/1168179137.db2.gz VECZHNAVSUWDQT-DLBZAZTESA-N 2 2 299.418 1.455 10 30 CDEELP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565835806 1168179139 /nfs/dbraw/zinc/17/91/39/1168179139.db2.gz VECZHNAVSUWDQT-DLBZAZTESA-N 2 2 299.418 1.455 10 30 CDEELP C=CC[N@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001567339651 1168690562 /nfs/dbraw/zinc/69/05/62/1168690562.db2.gz MDXAJYARLVNDBM-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP C=CC[N@@H+](CC)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001567339651 1168690566 /nfs/dbraw/zinc/69/05/66/1168690566.db2.gz MDXAJYARLVNDBM-UHFFFAOYSA-N 2 2 272.352 1.572 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001569321678 1169763867 /nfs/dbraw/zinc/76/38/67/1169763867.db2.gz TWBRWMXBJVHNTI-UKRRQHHQSA-N 2 2 288.395 1.342 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001571482296 1170447930 /nfs/dbraw/zinc/44/79/30/1170447930.db2.gz BYFYKYVKEYMUEU-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001571636902 1170504055 /nfs/dbraw/zinc/50/40/55/1170504055.db2.gz KPDVZPNICBBDFY-CQSZACIVSA-N 2 2 290.411 1.404 10 30 CDEELP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690824545 1175581006 /nfs/dbraw/zinc/58/10/06/1175581006.db2.gz GTXQOABHFIEVBP-AWEZNQCLSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690824545 1175581008 /nfs/dbraw/zinc/58/10/08/1175581008.db2.gz GTXQOABHFIEVBP-AWEZNQCLSA-N 2 2 290.411 1.760 10 30 CDEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691912673 1175650382 /nfs/dbraw/zinc/65/03/82/1175650382.db2.gz RHEZMHNIWPALPP-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691912673 1175650383 /nfs/dbraw/zinc/65/03/83/1175650383.db2.gz RHEZMHNIWPALPP-AWEZNQCLSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001698846870 1175961535 /nfs/dbraw/zinc/96/15/35/1175961535.db2.gz DPLWGJIEWMOWOO-CHWSQXEVSA-N 2 2 278.400 1.743 10 30 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C=CCC[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001725826805 1182143349 /nfs/dbraw/zinc/14/33/49/1182143349.db2.gz LKVQAYCYMNFZLQ-UHFFFAOYSA-N 2 2 274.368 1.277 10 30 CDEELP C=CCC[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001725826805 1182143351 /nfs/dbraw/zinc/14/33/51/1182143351.db2.gz LKVQAYCYMNFZLQ-UHFFFAOYSA-N 2 2 274.368 1.277 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001731596640 1182471330 /nfs/dbraw/zinc/47/13/30/1182471330.db2.gz VTQDLHBFSOSVAE-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001731596640 1182471332 /nfs/dbraw/zinc/47/13/32/1182471332.db2.gz VTQDLHBFSOSVAE-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001731852160 1182625738 /nfs/dbraw/zinc/62/57/38/1182625738.db2.gz DFXIPHPKKTVKSW-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001731852160 1182625740 /nfs/dbraw/zinc/62/57/40/1182625740.db2.gz DFXIPHPKKTVKSW-AWEZNQCLSA-N 2 2 290.411 1.367 10 30 CDEELP C#CCC[NH2+][C@H](CC)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732221031 1182866401 /nfs/dbraw/zinc/86/64/01/1182866401.db2.gz FBFWHJFVFKLMMW-UONOGXRCSA-N 2 2 276.384 1.342 10 30 CDEELP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001732706247 1183094586 /nfs/dbraw/zinc/09/45/86/1183094586.db2.gz PCKTYRSXHTWIBN-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001733230328 1183358127 /nfs/dbraw/zinc/35/81/27/1183358127.db2.gz GCVYYFOVFXSDTG-JSGCOSHPSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001733230328 1183358131 /nfs/dbraw/zinc/35/81/31/1183358131.db2.gz GCVYYFOVFXSDTG-JSGCOSHPSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001733999467 1183609522 /nfs/dbraw/zinc/60/95/22/1183609522.db2.gz HVGOZFDZKAJRAO-RYUDHWBXSA-N 2 2 264.373 1.022 10 30 CDEELP C=CC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001734131521 1183670214 /nfs/dbraw/zinc/67/02/14/1183670214.db2.gz QLBLUQGHSFRDOY-CYBMUJFWSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001734210707 1183692098 /nfs/dbraw/zinc/69/20/98/1183692098.db2.gz QYMSSMQHWDYSPV-MGPQQGTHSA-N 2 2 288.395 1.116 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001734220990 1183696099 /nfs/dbraw/zinc/69/60/99/1183696099.db2.gz YEEHTTROLDVWAY-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001734332175 1183736326 /nfs/dbraw/zinc/73/63/26/1183736326.db2.gz GVZIBNBTNLBTRH-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001734476802 1183794202 /nfs/dbraw/zinc/79/42/02/1183794202.db2.gz PKXSNVKDKNDDHO-ZIAGYGMSSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001734476802 1183794204 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C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490569874 927233868 /nfs/dbraw/zinc/23/38/68/927233868.db2.gz FTACFZQAQQVEPM-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490569874 927233880 /nfs/dbraw/zinc/23/38/80/927233880.db2.gz FTACFZQAQQVEPM-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001568465854 1169302551 /nfs/dbraw/zinc/30/25/51/1169302551.db2.gz LGBAMVALTNOVJQ-DZGCQCFKSA-N 2 2 292.427 1.895 10 30 CDEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001568465854 1169302558 /nfs/dbraw/zinc/30/25/58/1169302558.db2.gz LGBAMVALTNOVJQ-DZGCQCFKSA-N 2 2 292.427 1.895 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274208304 931235287 /nfs/dbraw/zinc/23/52/87/931235287.db2.gz KNFPXDPJFLJSQV-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274208304 931235292 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CDEELP C=CC[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001324869784 953615931 /nfs/dbraw/zinc/61/59/31/953615931.db2.gz RNRDYTFUDHYNMW-UHFFFAOYSA-N 2 2 290.411 1.747 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001328429303 955293322 /nfs/dbraw/zinc/29/33/22/955293322.db2.gz KDLNMNPCMBXARI-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP N#CCCCC[C@H]([NH3+])c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001329122345 955699687 /nfs/dbraw/zinc/69/96/87/955699687.db2.gz XYRNKEBPLZCYGB-OLZOCXBDSA-N 2 2 289.383 1.963 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001331652053 957185719 /nfs/dbraw/zinc/18/57/19/957185719.db2.gz YRTJVVNNCJPFRK-UONOGXRCSA-N 2 2 278.400 1.674 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001424848162 957381187 /nfs/dbraw/zinc/38/11/87/957381187.db2.gz IBLVUFJIZYZHCG-QWRGUYRKSA-N 2 2 284.791 1.198 10 30 CDEELP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001332005889 957393517 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C#CCC[N@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001332731664 957695591 /nfs/dbraw/zinc/69/55/91/957695591.db2.gz CQPIZKVHVXXSON-UHFFFAOYSA-N 2 2 276.384 1.144 10 30 CDEELP C=CCC[N@@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001332736362 957698150 /nfs/dbraw/zinc/69/81/50/957698150.db2.gz YUWWAGTUIZBHAF-UHFFFAOYSA-N 2 2 292.427 1.708 10 30 CDEELP C=CCC[N@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001332736362 957698162 /nfs/dbraw/zinc/69/81/62/957698162.db2.gz YUWWAGTUIZBHAF-UHFFFAOYSA-N 2 2 292.427 1.708 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001318423396 958097184 /nfs/dbraw/zinc/09/71/84/958097184.db2.gz LGROKAQQKYSQNA-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001318423396 958097199 /nfs/dbraw/zinc/09/71/99/958097199.db2.gz LGROKAQQKYSQNA-HNNXBMFYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319758223 958715654 /nfs/dbraw/zinc/71/56/54/958715654.db2.gz MKUWCXCYZPYGRU-ZIAGYGMSSA-N 2 2 263.385 1.612 10 30 CDEELP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319758223 958715671 /nfs/dbraw/zinc/71/56/71/958715671.db2.gz MKUWCXCYZPYGRU-ZIAGYGMSSA-N 2 2 263.385 1.612 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420336335 962758262 /nfs/dbraw/zinc/75/82/62/962758262.db2.gz ZXGHGGYVFVMWQA-LBPRGKRZSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420336335 962758273 /nfs/dbraw/zinc/75/82/73/962758273.db2.gz ZXGHGGYVFVMWQA-LBPRGKRZSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420336335 962758278 /nfs/dbraw/zinc/75/82/78/962758278.db2.gz ZXGHGGYVFVMWQA-LBPRGKRZSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420336335 962758291 /nfs/dbraw/zinc/75/82/91/962758291.db2.gz ZXGHGGYVFVMWQA-LBPRGKRZSA-N 2 2 273.808 1.129 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501092427 974531673 /nfs/dbraw/zinc/53/16/73/974531673.db2.gz UCZREQSGFSRKJM-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001675349352 1174105604 /nfs/dbraw/zinc/10/56/04/1174105604.db2.gz RBEHPNKYKFIRFI-QWHCGFSZSA-N 2 2 290.411 1.601 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001571460101 1170438639 /nfs/dbraw/zinc/43/86/39/1170438639.db2.gz QLPBPJYOUUHMDI-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccncc3C#N)CC[C@H]21 ZINC000592073548 342663718 /nfs/dbraw/zinc/66/37/18/342663718.db2.gz GVLSZHQHIKUDSX-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccncc3C#N)CC[C@H]21 ZINC000592073548 342663719 /nfs/dbraw/zinc/66/37/19/342663719.db2.gz GVLSZHQHIKUDSX-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccncc3C#N)CC[C@H]21 ZINC000592073548 342663720 /nfs/dbraw/zinc/66/37/20/342663720.db2.gz GVLSZHQHIKUDSX-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccncc3C#N)CC[C@H]21 ZINC000592073548 342663721 /nfs/dbraw/zinc/66/37/21/342663721.db2.gz GVLSZHQHIKUDSX-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP N#Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000592485652 342695853 /nfs/dbraw/zinc/69/58/53/342695853.db2.gz VCPFUIAZRNPEOL-CFVMTHIKSA-N 2 2 256.353 1.512 10 30 CDEELP N#Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000592485652 342695855 /nfs/dbraw/zinc/69/58/55/342695855.db2.gz VCPFUIAZRNPEOL-CFVMTHIKSA-N 2 2 256.353 1.512 10 30 CDEELP C[C@@]1(C#N)CC[N@H+](CCOCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595839882 343172582 /nfs/dbraw/zinc/17/25/82/343172582.db2.gz JKCXKFFADWULAI-IYBDPMFKSA-N 2 2 290.411 1.474 10 30 CDEELP C[C@@]1(C#N)CC[N@@H+](CCOCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595839882 343172584 /nfs/dbraw/zinc/17/25/84/343172584.db2.gz JKCXKFFADWULAI-IYBDPMFKSA-N 2 2 290.411 1.474 10 30 CDEELP C[C@@]1(C#N)CC[NH+](CCOCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839882 343172587 /nfs/dbraw/zinc/17/25/87/343172587.db2.gz JKCXKFFADWULAI-IYBDPMFKSA-N 2 2 290.411 1.474 10 30 CDEELP C[C@@]1(C#N)CC[NH+](CCOCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839882 343172588 /nfs/dbraw/zinc/17/25/88/343172588.db2.gz JKCXKFFADWULAI-IYBDPMFKSA-N 2 2 290.411 1.474 10 30 CDEELP N#CCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862629 343174919 /nfs/dbraw/zinc/17/49/19/343174919.db2.gz DWASQVJPCHKHKT-GOSISDBHSA-N 2 2 299.418 1.784 10 30 CDEELP N#CCc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862629 343174920 /nfs/dbraw/zinc/17/49/20/343174920.db2.gz DWASQVJPCHKHKT-GOSISDBHSA-N 2 2 299.418 1.784 10 30 CDEELP CC1([NH+]2CCOCC2)CC[NH+](CCOCCC#N)CC1 ZINC000599622660 344097974 /nfs/dbraw/zinc/09/79/74/344097974.db2.gz MWQZHYIVRYIAQU-UHFFFAOYSA-N 2 2 281.400 1.103 10 30 CDEELP C[N@@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000226591952 346520783 /nfs/dbraw/zinc/52/07/83/346520783.db2.gz VHRZXGRLSUBAKX-LBPRGKRZSA-N 2 2 298.312 1.656 10 30 CDEELP C[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000226591952 346520785 /nfs/dbraw/zinc/52/07/85/346520785.db2.gz VHRZXGRLSUBAKX-LBPRGKRZSA-N 2 2 298.312 1.656 10 30 CDEELP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663527 356463225 /nfs/dbraw/zinc/46/32/25/356463225.db2.gz IFBWQCMVQKCLHK-ZIAGYGMSSA-N 2 2 296.374 1.661 10 30 CDEELP CC#CC[NH2+]Cc1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187292 365178031 /nfs/dbraw/zinc/17/80/31/365178031.db2.gz IWBVSDZYSQGCIN-UHFFFAOYSA-N 2 2 283.379 1.760 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001661846397 1172455148 /nfs/dbraw/zinc/45/51/48/1172455148.db2.gz MZKYADHYWGMYNX-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001661891398 1172461668 /nfs/dbraw/zinc/46/16/68/1172461668.db2.gz YTAPRIAVIROKKH-HNNXBMFYSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001661891398 1172461677 /nfs/dbraw/zinc/46/16/77/1172461677.db2.gz YTAPRIAVIROKKH-HNNXBMFYSA-N 2 2 290.411 1.509 10 30 CDEELP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1C#N ZINC000377778720 374619324 /nfs/dbraw/zinc/61/93/24/374619324.db2.gz LZZBLELDJPBPIU-CYBMUJFWSA-N 2 2 282.347 1.937 10 30 CDEELP COc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1C#N ZINC000377778720 374619330 /nfs/dbraw/zinc/61/93/30/374619330.db2.gz LZZBLELDJPBPIU-CYBMUJFWSA-N 2 2 282.347 1.937 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nn1 ZINC000655939833 412953450 /nfs/dbraw/zinc/95/34/50/412953450.db2.gz LJWVVIINEAUGLB-IHRRRGAJSA-N 2 2 277.416 1.659 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nn1 ZINC000655939833 412953455 /nfs/dbraw/zinc/95/34/55/412953455.db2.gz LJWVVIINEAUGLB-IHRRRGAJSA-N 2 2 277.416 1.659 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000655940774 412953693 /nfs/dbraw/zinc/95/36/93/412953693.db2.gz XGIYVHRZVCXDEF-ZFWWWQNUSA-N 2 2 275.400 1.415 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000655940774 412953698 /nfs/dbraw/zinc/95/36/98/412953698.db2.gz XGIYVHRZVCXDEF-ZFWWWQNUSA-N 2 2 275.400 1.415 10 30 CDEELP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001664457618 1172855412 /nfs/dbraw/zinc/85/54/12/1172855412.db2.gz SBWHBCQAZRXINV-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043590892 175074020 /nfs/dbraw/zinc/07/40/20/175074020.db2.gz VDLNZHUWHIWSBV-AWEZNQCLSA-N 2 2 265.401 1.096 10 30 CDEELP C[N@@H+](Cc1ccc(C#CCO)cc1F)C[C@H]1CC[NH+](C)C1 ZINC000071190501 176066822 /nfs/dbraw/zinc/06/68/22/176066822.db2.gz LOKWUTYJMAEZHI-HNNXBMFYSA-N 2 2 290.382 1.553 10 30 CDEELP C[N@H+](Cc1ccc(C#CCO)cc1F)C[C@H]1CC[NH+](C)C1 ZINC000071190501 176066823 /nfs/dbraw/zinc/06/68/23/176066823.db2.gz LOKWUTYJMAEZHI-HNNXBMFYSA-N 2 2 290.382 1.553 10 30 CDEELP C[NH+](Cc1ccc(C#CCO)cc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071190501 176066825 /nfs/dbraw/zinc/06/68/25/176066825.db2.gz LOKWUTYJMAEZHI-HNNXBMFYSA-N 2 2 290.382 1.553 10 30 CDEELP C[NH+](Cc1ccc(C#CCO)cc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000071190501 176066826 /nfs/dbraw/zinc/06/68/26/176066826.db2.gz LOKWUTYJMAEZHI-HNNXBMFYSA-N 2 2 290.382 1.553 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190766 176069049 /nfs/dbraw/zinc/06/90/49/176069049.db2.gz UDGLDVXNXXWOLW-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190766 176069051 /nfs/dbraw/zinc/06/90/51/176069051.db2.gz UDGLDVXNXXWOLW-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190766 176069052 /nfs/dbraw/zinc/06/90/52/176069052.db2.gz UDGLDVXNXXWOLW-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190766 176069054 /nfs/dbraw/zinc/06/90/54/176069054.db2.gz UDGLDVXNXXWOLW-LSDHHAIUSA-N 3 2 266.433 1.542 10 30 CDEELP 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/nfs/dbraw/zinc/00/84/97/327008497.db2.gz PXWGHPPYMWFTOA-LLVKDONJSA-N 2 2 266.307 1.540 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001670808328 1160171723 /nfs/dbraw/zinc/17/17/23/1160171723.db2.gz ZJGSCBAKTBBJPU-UHFFFAOYSA-N 2 2 270.336 1.601 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691529854 1160438062 /nfs/dbraw/zinc/43/80/62/1160438062.db2.gz GRCUKICDCCWCCC-HAQNSBGRSA-N 2 2 262.357 1.013 10 30 CDEELP C=CCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684116710 482654163 /nfs/dbraw/zinc/65/41/63/482654163.db2.gz KTTWWBXLVXJCRG-CQSZACIVSA-N 2 2 294.443 1.420 10 30 CDEELP C=CCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684116710 482654166 /nfs/dbraw/zinc/65/41/66/482654166.db2.gz KTTWWBXLVXJCRG-CQSZACIVSA-N 2 2 294.443 1.420 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000679219134 483304250 /nfs/dbraw/zinc/30/42/50/483304250.db2.gz OUGXJFWOZHPYJQ-MRXNPFEDSA-N 2 2 262.397 1.987 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000679219134 483304252 /nfs/dbraw/zinc/30/42/52/483304252.db2.gz OUGXJFWOZHPYJQ-MRXNPFEDSA-N 2 2 262.397 1.987 10 30 CDEELP C=C(C)C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679219134 483304256 /nfs/dbraw/zinc/30/42/56/483304256.db2.gz OUGXJFWOZHPYJQ-MRXNPFEDSA-N 2 2 262.397 1.987 10 30 CDEELP C=C(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679219134 483304257 /nfs/dbraw/zinc/30/42/57/483304257.db2.gz OUGXJFWOZHPYJQ-MRXNPFEDSA-N 2 2 262.397 1.987 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000924983453 618536846 /nfs/dbraw/zinc/53/68/46/618536846.db2.gz FPZUQKQMIOYQIM-ZDUSSCGKSA-N 2 2 254.374 1.378 10 30 CDEELP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266858778 1158913196 /nfs/dbraw/zinc/91/31/96/1158913196.db2.gz HNANIGQWSBERMH-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266858778 1158913201 /nfs/dbraw/zinc/91/32/01/1158913201.db2.gz HNANIGQWSBERMH-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001569811886 1170003190 /nfs/dbraw/zinc/00/31/90/1170003190.db2.gz VAJHVDTYCPHXQV-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001569811886 1170003197 /nfs/dbraw/zinc/00/31/97/1170003197.db2.gz VAJHVDTYCPHXQV-ZIAGYGMSSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001570123572 1170088050 /nfs/dbraw/zinc/08/80/50/1170088050.db2.gz VGZDOEPXIIIBKU-UHFFFAOYSA-N 2 2 290.411 1.557 10 30 CDEELP C#CC[N@H+](CC)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001660558389 1172233773 /nfs/dbraw/zinc/23/37/73/1172233773.db2.gz WTSVOGOWHATLSU-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C#CC[N@@H+](CC)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001660558389 1172233780 /nfs/dbraw/zinc/23/37/80/1172233780.db2.gz WTSVOGOWHATLSU-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001665850200 1173073293 /nfs/dbraw/zinc/07/32/93/1173073293.db2.gz OSGMRAHFJYULFM-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)CC[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001669219172 1173518650 /nfs/dbraw/zinc/51/86/50/1173518650.db2.gz IFYLXEBUTSOEFK-ARJAWSKDSA-N 2 2 262.357 1.111 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001676963834 1174301327 /nfs/dbraw/zinc/30/13/27/1174301327.db2.gz CDFHKALMTCFWFJ-ZIAGYGMSSA-N 2 2 290.411 1.413 10 30 CDEELP C#CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001692131945 1175681594 /nfs/dbraw/zinc/68/15/94/1175681594.db2.gz MIGRTYATMFFQEV-AWEZNQCLSA-N 2 2 288.395 1.336 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC001698979185 1176004646 /nfs/dbraw/zinc/00/46/46/1176004646.db2.gz IICOERGAQFEBJJ-HNNXBMFYSA-N 2 2 290.411 1.106 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001699278336 1176192396 /nfs/dbraw/zinc/19/23/96/1176192396.db2.gz RCSMLVNKAQMQRJ-RDFMZFSFSA-N 2 2 288.395 1.284 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001699453555 1176419226 /nfs/dbraw/zinc/41/92/26/1176419226.db2.gz DHHWLYQNSJDSJI-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001699453555 1176419230 /nfs/dbraw/zinc/41/92/30/1176419230.db2.gz DHHWLYQNSJDSJI-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001700327320 1176853598 /nfs/dbraw/zinc/85/35/98/1176853598.db2.gz WJGDQBLCKBYRHS-STQMWFEESA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001700327320 1176853608 /nfs/dbraw/zinc/85/36/08/1176853608.db2.gz WJGDQBLCKBYRHS-STQMWFEESA-N 2 2 278.400 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001700758034 1177116760 /nfs/dbraw/zinc/11/67/60/1177116760.db2.gz QXTGCCLQMKDRNB-CYBMUJFWSA-N 2 2 286.379 1.961 10 30 CDEELP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001714114868 1178978732 /nfs/dbraw/zinc/97/87/32/1178978732.db2.gz ODBDWFVJFWRCAZ-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001714358163 1179103633 /nfs/dbraw/zinc/10/36/33/1179103633.db2.gz BBFZKVRHSWMKRS-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001714726054 1179360688 /nfs/dbraw/zinc/36/06/88/1179360688.db2.gz BYQOSWMTYFTVEH-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001715076951 1179541881 /nfs/dbraw/zinc/54/18/81/1179541881.db2.gz WVLJMQXVUGEQIZ-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001715076951 1179541888 /nfs/dbraw/zinc/54/18/88/1179541888.db2.gz WVLJMQXVUGEQIZ-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C=CC[NH2+]C[C@@](C)(NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001715112196 1179555835 /nfs/dbraw/zinc/55/58/35/1179555835.db2.gz KCDPUZDZVBBMGP-MRXNPFEDSA-N 2 2 290.411 1.413 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001715408010 1179659276 /nfs/dbraw/zinc/65/92/76/1179659276.db2.gz WDRRIRBPKCBNAZ-OAHLLOKOSA-N 2 2 290.411 1.724 10 30 CDEELP C#CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715981130 1179962216 /nfs/dbraw/zinc/96/22/16/1179962216.db2.gz SNSLQXXXSLAWSU-LBPRGKRZSA-N 2 2 276.384 1.044 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716047344 1180019973 /nfs/dbraw/zinc/01/99/73/1180019973.db2.gz ZXBKKIHZFOKWCW-OLZOCXBDSA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716047344 1180019981 /nfs/dbraw/zinc/01/99/81/1180019981.db2.gz ZXBKKIHZFOKWCW-OLZOCXBDSA-N 2 2 278.400 1.743 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001723462491 1181570599 /nfs/dbraw/zinc/57/05/99/1181570599.db2.gz UVLHRZIOUQDIFM-JKSUJKDBSA-N 2 2 291.439 1.465 10 30 CDEELP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001723462491 1181570602 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C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001319119418 958384821 /nfs/dbraw/zinc/38/48/21/958384821.db2.gz SMMFIOKMYLOBEX-UONOGXRCSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[NH+]1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001569495951 1169900044 /nfs/dbraw/zinc/90/00/44/1169900044.db2.gz XDGHJLUEANZLAB-UHFFFAOYSA-N 2 2 276.384 1.382 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001480306078 967363564 /nfs/dbraw/zinc/36/35/64/967363564.db2.gz HXVZFSKOKNPQHY-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001495753215 972622492 /nfs/dbraw/zinc/62/24/92/972622492.db2.gz WFWOCIJGQOHVQC-ZIAGYGMSSA-N 2 2 276.384 1.199 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492820 972940989 /nfs/dbraw/zinc/94/09/89/972940989.db2.gz ZQUOZBPOUWFLNP-ZIAGYGMSSA-N 2 2 276.384 1.286 10 30 CDEELP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001507131948 975347968 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CDEELP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001674939107 1174041343 /nfs/dbraw/zinc/04/13/43/1174041343.db2.gz RGCLTLNTGYGNNF-ZDUSSCGKSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001674939107 1174041350 /nfs/dbraw/zinc/04/13/50/1174041350.db2.gz RGCLTLNTGYGNNF-ZDUSSCGKSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001674939107 1174041357 /nfs/dbraw/zinc/04/13/57/1174041357.db2.gz RGCLTLNTGYGNNF-ZDUSSCGKSA-N 2 2 278.400 1.745 10 30 CDEELP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001570781477 1170280172 /nfs/dbraw/zinc/28/01/72/1170280172.db2.gz QXUDMCPSLRRVBD-AWEZNQCLSA-N 2 2 292.427 1.991 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001656235714 1171797978 /nfs/dbraw/zinc/79/79/78/1171797978.db2.gz ZJJRTSXUZOGIEA-JOCQHMNTSA-N 2 2 276.384 1.321 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000594436662 342899552 /nfs/dbraw/zinc/89/95/52/342899552.db2.gz PGXBZBPFVCIFHP-OLZOCXBDSA-N 2 2 289.383 1.875 10 30 CDEELP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723288 342244848 /nfs/dbraw/zinc/24/48/48/342244848.db2.gz KJLFNDXJIDWNGY-ZIAGYGMSSA-N 2 2 265.401 1.505 10 30 CDEELP Cn1c[nH+]cc1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000289357074 136399912 /nfs/dbraw/zinc/39/99/12/136399912.db2.gz NRCSEXHUEOUMMG-UHFFFAOYSA-N 2 2 296.378 1.051 10 30 CDEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000567401935 358672592 /nfs/dbraw/zinc/67/25/92/358672592.db2.gz BPMHCPGAJOBAGZ-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cn2)CC[N@H+]1C ZINC000567401935 358672595 /nfs/dbraw/zinc/67/25/95/358672595.db2.gz BPMHCPGAJOBAGZ-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401935 358672598 /nfs/dbraw/zinc/67/25/98/358672598.db2.gz BPMHCPGAJOBAGZ-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)CC[NH+]1C ZINC000567401935 358672600 /nfs/dbraw/zinc/67/26/00/358672600.db2.gz BPMHCPGAJOBAGZ-WFASDCNBSA-N 2 2 258.369 1.868 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261939743 359097200 /nfs/dbraw/zinc/09/72/00/359097200.db2.gz MPWPLEPQQFRHED-BRWVUGGUSA-N 3 2 293.455 1.384 10 30 CDEELP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000528415744 367834184 /nfs/dbraw/zinc/83/41/84/367834184.db2.gz DMWXYVIUXKCRPC-STQMWFEESA-N 2 2 274.368 1.644 10 30 CDEELP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000528415744 367834190 /nfs/dbraw/zinc/83/41/90/367834190.db2.gz DMWXYVIUXKCRPC-STQMWFEESA-N 2 2 274.368 1.644 10 30 CDEELP C[C@@H](CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574162298 371700058 /nfs/dbraw/zinc/70/00/58/371700058.db2.gz GHAKUNGNLVMUES-PMRDEQMMSA-N 2 2 290.455 1.921 10 30 CDEELP C[C@@H](CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000574162298 371700067 /nfs/dbraw/zinc/70/00/67/371700067.db2.gz GHAKUNGNLVMUES-PMRDEQMMSA-N 2 2 290.455 1.921 10 30 CDEELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(C#N)cs1 ZINC000356340474 373842073 /nfs/dbraw/zinc/84/20/73/373842073.db2.gz OVKYTKGHGQXWPL-UHFFFAOYSA-N 2 2 293.440 1.084 10 30 CDEELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc(C#N)cs1 ZINC000356340474 373842087 /nfs/dbraw/zinc/84/20/87/373842087.db2.gz OVKYTKGHGQXWPL-UHFFFAOYSA-N 2 2 293.440 1.084 10 30 CDEELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000422995842 374366129 /nfs/dbraw/zinc/36/61/29/374366129.db2.gz ZMRAIBZFDACHDZ-UKRRQHHQSA-N 2 2 289.379 1.294 10 30 CDEELP C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2C#N)[C@H](C[NH3+])C1 ZINC000124478024 374799326 /nfs/dbraw/zinc/79/93/26/374799326.db2.gz NWKVIGQUIDNEJY-GFCCVEGCSA-N 2 2 298.312 1.656 10 30 CDEELP C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2C#N)[C@H](C[NH3+])C1 ZINC000124478024 374799329 /nfs/dbraw/zinc/79/93/29/374799329.db2.gz NWKVIGQUIDNEJY-GFCCVEGCSA-N 2 2 298.312 1.656 10 30 CDEELP N#Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529849 175194487 /nfs/dbraw/zinc/19/44/87/175194487.db2.gz QKFFRZSBHXHKJW-GFCCVEGCSA-N 2 2 272.352 1.167 10 30 CDEELP N#Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529849 175194489 /nfs/dbraw/zinc/19/44/89/175194489.db2.gz QKFFRZSBHXHKJW-GFCCVEGCSA-N 2 2 272.352 1.167 10 30 CDEELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000045134612 175312723 /nfs/dbraw/zinc/31/27/23/175312723.db2.gz LXPSVFAXYUDMRU-UHFFFAOYSA-N 2 2 258.300 1.763 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCCC[NH+]1CCOCC1 ZINC000045306746 175355952 /nfs/dbraw/zinc/35/59/52/175355952.db2.gz AOKJQHSDIFDOHP-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@H+](CCCOC)CCOC ZINC000045317004 175358275 /nfs/dbraw/zinc/35/82/75/175358275.db2.gz UHEOHLHRKYDBGJ-AWEZNQCLSA-N 2 2 271.405 1.253 10 30 CDEELP C[NH2+][C@](C)(C#N)CCC[N@@H+](CCCOC)CCOC ZINC000045317004 175358276 /nfs/dbraw/zinc/35/82/76/175358276.db2.gz UHEOHLHRKYDBGJ-AWEZNQCLSA-N 2 2 271.405 1.253 10 30 CDEELP COCC[NH+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC ZINC000045318572 175358941 /nfs/dbraw/zinc/35/89/41/175358941.db2.gz BZLJTHAADBBMQE-HNNXBMFYSA-N 2 2 285.432 1.642 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190767 176068648 /nfs/dbraw/zinc/06/86/48/176068648.db2.gz RMBFETSCPHMTBR-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190767 176068649 /nfs/dbraw/zinc/06/86/49/176068649.db2.gz RMBFETSCPHMTBR-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190767 176068650 /nfs/dbraw/zinc/06/86/50/176068650.db2.gz RMBFETSCPHMTBR-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190767 176068651 /nfs/dbraw/zinc/06/86/51/176068651.db2.gz RMBFETSCPHMTBR-HOTGVXAUSA-N 3 2 280.460 1.932 10 30 CDEELP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847366 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C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001496182501 972829262 /nfs/dbraw/zinc/82/92/62/972829262.db2.gz FKEQTKJOOVQBKL-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001496182501 972829277 /nfs/dbraw/zinc/82/92/77/972829277.db2.gz FKEQTKJOOVQBKL-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001496462794 972930200 /nfs/dbraw/zinc/93/02/00/972930200.db2.gz QTENABXUWZDWCQ-KBPBESRZSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569687622 1169966361 /nfs/dbraw/zinc/96/63/61/1169966361.db2.gz YFSMJELDWTVVNG-XJKSGUPXSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569687622 1169966366 /nfs/dbraw/zinc/96/63/66/1169966366.db2.gz YFSMJELDWTVVNG-XJKSGUPXSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001499136072 974194352 /nfs/dbraw/zinc/19/43/52/974194352.db2.gz GRLPNTWRMKWQCG-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001499136072 974194354 /nfs/dbraw/zinc/19/43/54/974194354.db2.gz GRLPNTWRMKWQCG-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001505632582 974943812 /nfs/dbraw/zinc/94/38/12/974943812.db2.gz MESOTXYKSQEXMY-KBPBESRZSA-N 2 2 292.427 1.986 10 30 CDEELP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001507334431 975420750 /nfs/dbraw/zinc/42/07/50/975420750.db2.gz IHRAYYGLCCOBKW-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001507417468 975461622 /nfs/dbraw/zinc/46/16/22/975461622.db2.gz XJLZWCLGTMZOGU-ZIAGYGMSSA-N 2 2 290.411 1.793 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001391072462 976672146 /nfs/dbraw/zinc/67/21/46/976672146.db2.gz CLMKCXSUAKCRHE-ZDUSSCGKSA-N 2 2 285.819 1.415 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001391072462 976672150 /nfs/dbraw/zinc/67/21/50/976672150.db2.gz CLMKCXSUAKCRHE-ZDUSSCGKSA-N 2 2 285.819 1.415 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001676945182 1174297601 /nfs/dbraw/zinc/29/76/01/1174297601.db2.gz ILJRHZYUOQALGL-CABCVRRESA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001570011181 1170059148 /nfs/dbraw/zinc/05/91/48/1170059148.db2.gz GKHVWYUJJXNZTQ-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001571457682 1170437223 /nfs/dbraw/zinc/43/72/23/1170437223.db2.gz ZVIWTHGYAOSLRL-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001571457682 1170437225 /nfs/dbraw/zinc/43/72/25/1170437225.db2.gz ZVIWTHGYAOSLRL-DZGCQCFKSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571488916 1170451631 /nfs/dbraw/zinc/45/16/31/1170451631.db2.gz KBSILRFRLQAOIU-QWHCGFSZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CC=C(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001571699670 1170527019 /nfs/dbraw/zinc/52/70/19/1170527019.db2.gz ZGKNDJJKPVNRCI-UHFFFAOYSA-N 2 2 288.395 1.287 10 30 CDEELP C=CC[N@@H+]1CC=C(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001571699670 1170527023 /nfs/dbraw/zinc/52/70/23/1170527023.db2.gz ZGKNDJJKPVNRCI-UHFFFAOYSA-N 2 2 288.395 1.287 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000600716261 342244215 /nfs/dbraw/zinc/24/42/15/342244215.db2.gz DEOFRIJGWBCTTL-CQSZACIVSA-N 2 2 284.363 1.521 10 30 CDEELP N#CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000594505851 342914745 /nfs/dbraw/zinc/91/47/45/342914745.db2.gz CGMKCBSHNVCLOE-CWRNSKLLSA-N 2 2 277.412 1.912 10 30 CDEELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595904546 343188071 /nfs/dbraw/zinc/18/80/71/343188071.db2.gz FOJOWKWZTUWWCS-GDBMZVCRSA-N 2 2 273.380 1.973 10 30 CDEELP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595904546 343188073 /nfs/dbraw/zinc/18/80/73/343188073.db2.gz FOJOWKWZTUWWCS-GDBMZVCRSA-N 2 2 273.380 1.973 10 30 CDEELP C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000528424840 367838467 /nfs/dbraw/zinc/83/84/67/367838467.db2.gz NNTZXJLKJZEYOK-RBSFLKMASA-N 2 2 288.395 1.821 10 30 CDEELP C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000528424840 367838475 /nfs/dbraw/zinc/83/84/75/367838475.db2.gz NNTZXJLKJZEYOK-RBSFLKMASA-N 2 2 288.395 1.821 10 30 CDEELP C#CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001661739245 1172438209 /nfs/dbraw/zinc/43/82/09/1172438209.db2.gz OFUSAIDEAGINET-GJZGRUSLSA-N 2 2 288.395 1.296 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001661739245 1172438214 /nfs/dbraw/zinc/43/82/14/1172438214.db2.gz OFUSAIDEAGINET-GJZGRUSLSA-N 2 2 288.395 1.296 10 30 CDEELP N#Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422969303 374367013 /nfs/dbraw/zinc/36/70/13/374367013.db2.gz ZQUBXGBIZOZRGK-CVEARBPZSA-N 2 2 271.364 1.415 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634649 375885030 /nfs/dbraw/zinc/88/50/30/375885030.db2.gz QQOOWWVKMNIRCG-KFWWJZLASA-N 2 2 279.428 1.293 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634649 375885034 /nfs/dbraw/zinc/88/50/34/375885034.db2.gz QQOOWWVKMNIRCG-KFWWJZLASA-N 2 2 279.428 1.293 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634649 375885040 /nfs/dbraw/zinc/88/50/40/375885040.db2.gz QQOOWWVKMNIRCG-KFWWJZLASA-N 2 2 279.428 1.293 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634649 375885046 /nfs/dbraw/zinc/88/50/46/375885046.db2.gz QQOOWWVKMNIRCG-KFWWJZLASA-N 2 2 279.428 1.293 10 30 CDEELP CN(CCC#N)C(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378412544 390937796 /nfs/dbraw/zinc/93/77/96/390937796.db2.gz AAEKFONNUNDGRH-UHFFFAOYSA-N 2 2 289.383 1.351 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917736 398117029 /nfs/dbraw/zinc/11/70/29/398117029.db2.gz MWEBWLJWTXMWBB-HOTGVXAUSA-N 2 2 291.439 1.651 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917736 398117031 /nfs/dbraw/zinc/11/70/31/398117031.db2.gz MWEBWLJWTXMWBB-HOTGVXAUSA-N 2 2 291.439 1.651 10 30 CDEELP C=CC[C@@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC[NH2+]1 ZINC000662699652 413341144 /nfs/dbraw/zinc/34/11/44/413341144.db2.gz CGDXOBBOIXEBSB-INIZCTEOSA-N 2 2 288.395 1.745 10 30 CDEELP C[C@@H]1COCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688911 175095886 /nfs/dbraw/zinc/09/58/86/175095886.db2.gz WCDMATUOZAQDBO-LLVKDONJSA-N 2 2 250.367 1.279 10 30 CDEELP C[C@@H]1COCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688911 175095888 /nfs/dbraw/zinc/09/58/88/175095888.db2.gz WCDMATUOZAQDBO-LLVKDONJSA-N 2 2 250.367 1.279 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000071145886 176042016 /nfs/dbraw/zinc/04/20/16/176042016.db2.gz LAYNSEXMPCBYIO-AWEZNQCLSA-N 2 2 292.427 1.213 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000071145886 176042017 /nfs/dbraw/zinc/04/20/17/176042017.db2.gz LAYNSEXMPCBYIO-AWEZNQCLSA-N 2 2 292.427 1.213 10 30 CDEELP C[NH+](C)CCN1C(=O)c2ccc(C[NH+](C)C)cc2[C@@H]1C#N ZINC000071680427 176244667 /nfs/dbraw/zinc/24/46/67/176244667.db2.gz XMXRJHYQQQIWME-HNNXBMFYSA-N 2 2 286.379 1.330 10 30 CDEELP C[NH+](C)CCN1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680427 176244669 /nfs/dbraw/zinc/24/46/69/176244669.db2.gz XMXRJHYQQQIWME-HNNXBMFYSA-N 2 2 286.379 1.330 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001667351702 1173257446 /nfs/dbraw/zinc/25/74/46/1173257446.db2.gz GVESTKAXIFNQFF-JSGCOSHPSA-N 2 2 290.411 1.663 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001672240183 1173754942 /nfs/dbraw/zinc/75/49/42/1173754942.db2.gz FOCQEICKUUXIEC-UONOGXRCSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001670864046 1160966983 /nfs/dbraw/zinc/96/69/83/1160966983.db2.gz KZWFZRLUMZPGMJ-GFCCVEGCSA-N 2 2 276.384 1.545 10 30 CDEELP CCCN[C@@H](C#N)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000062434954 519983666 /nfs/dbraw/zinc/98/36/66/519983666.db2.gz LUWHQEWZJWOHIT-CYBMUJFWSA-N 2 2 252.406 1.294 10 30 CDEELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccnc(C#N)c1 ZINC000068760699 522646370 /nfs/dbraw/zinc/64/63/70/522646370.db2.gz XARZDUHOJULBIN-GFCCVEGCSA-N 2 2 255.325 1.478 10 30 CDEELP CC[C@@H]1C[N@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049609187 523451553 /nfs/dbraw/zinc/45/15/53/523451553.db2.gz MFNITCCNYBHQAP-OAHLLOKOSA-N 2 2 276.355 1.747 10 30 CDEELP CC[C@@H]1C[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)CCO1 ZINC000049609187 523451558 /nfs/dbraw/zinc/45/15/58/523451558.db2.gz MFNITCCNYBHQAP-OAHLLOKOSA-N 2 2 276.355 1.747 10 30 CDEELP Cn1cc(C[N@H+](C)Cc2ccc(C#CC[NH3+])cc2F)cn1 ZINC000049609822 523513930 /nfs/dbraw/zinc/51/39/30/523513930.db2.gz QNTPHEXNRGDVPE-UHFFFAOYSA-N 2 2 286.354 1.501 10 30 CDEELP Cn1cc(C[N@@H+](C)Cc2ccc(C#CC[NH3+])cc2F)cn1 ZINC000049609822 523513941 /nfs/dbraw/zinc/51/39/41/523513941.db2.gz QNTPHEXNRGDVPE-UHFFFAOYSA-N 2 2 286.354 1.501 10 30 CDEELP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049239601 524790380 /nfs/dbraw/zinc/79/03/80/524790380.db2.gz SPNIGBIFCJOCKD-CYBMUJFWSA-N 2 2 282.347 1.012 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000767120707 576161967 /nfs/dbraw/zinc/16/19/67/576161967.db2.gz VVKITHXJAHVYGP-GFCCVEGCSA-N 2 2 283.441 1.422 10 30 CDEELP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001688891869 1175056544 /nfs/dbraw/zinc/05/65/44/1175056544.db2.gz YWANMSADHDLYDN-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001688891869 1175056547 /nfs/dbraw/zinc/05/65/47/1175056547.db2.gz YWANMSADHDLYDN-LSDHHAIUSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001688911620 1175064483 /nfs/dbraw/zinc/06/44/83/1175064483.db2.gz RTBHNGQPJVUQAT-TXEJJXNPSA-N 2 2 262.357 1.013 10 30 CDEELP C#CC[N@@H+]1CCC[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000895201283 619452227 /nfs/dbraw/zinc/45/22/27/619452227.db2.gz NCLKMDFNARFAQV-LBPRGKRZSA-N 2 2 255.325 1.239 10 30 CDEELP C#CC[N@H+]1CCC[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000895201283 619452231 /nfs/dbraw/zinc/45/22/31/619452231.db2.gz NCLKMDFNARFAQV-LBPRGKRZSA-N 2 2 255.325 1.239 10 30 CDEELP C=CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903913193 626145286 /nfs/dbraw/zinc/14/52/86/626145286.db2.gz ATAGMXWPOAQBIH-ZDUSSCGKSA-N 2 2 261.373 1.353 10 30 CDEELP C=CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903913193 626145288 /nfs/dbraw/zinc/14/52/88/626145288.db2.gz ATAGMXWPOAQBIH-ZDUSSCGKSA-N 2 2 261.373 1.353 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266819995 1158860484 /nfs/dbraw/zinc/86/04/84/1158860484.db2.gz HJSKSDOXUFTHEG-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271119646 1160246474 /nfs/dbraw/zinc/24/64/74/1160246474.db2.gz CTLYYYDWJGCKMS-OLZOCXBDSA-N 2 2 278.400 1.743 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001691526958 1160352814 /nfs/dbraw/zinc/35/28/14/1160352814.db2.gz JVMOCNMIBLPXFR-IHRRRGAJSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691526958 1160352818 /nfs/dbraw/zinc/35/28/18/1160352818.db2.gz JVMOCNMIBLPXFR-IHRRRGAJSA-N 2 2 288.395 1.096 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001626885987 1165965111 /nfs/dbraw/zinc/96/51/11/1165965111.db2.gz VABAQJQWMWJKBY-UHFFFAOYSA-N 2 2 284.363 1.606 10 30 CDEELP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001569840557 1170014141 /nfs/dbraw/zinc/01/41/41/1170014141.db2.gz CPSLMESXJGSFGS-GXTWGEPZSA-N 2 2 296.374 1.494 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001662263059 1172518379 /nfs/dbraw/zinc/51/83/79/1172518379.db2.gz OEGRERDAQRAMIL-QWHCGFSZSA-N 2 2 276.384 1.116 10 30 CDEELP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001668097032 1173368636 /nfs/dbraw/zinc/36/86/36/1173368636.db2.gz PYOAZYWWDPURSL-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001668097032 1173368644 /nfs/dbraw/zinc/36/86/44/1173368644.db2.gz PYOAZYWWDPURSL-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=C(C)CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001690181878 1175398006 /nfs/dbraw/zinc/39/80/06/1175398006.db2.gz IWTIKBLIWKRAOI-CQSZACIVSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001690590656 1175515659 /nfs/dbraw/zinc/51/56/59/1175515659.db2.gz CXVBSQSDOCEUMV-CYBMUJFWSA-N 2 2 291.395 1.693 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001698890896 1175979491 /nfs/dbraw/zinc/97/94/91/1175979491.db2.gz HQVGGXVJCAWAGX-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698997084 1176023645 /nfs/dbraw/zinc/02/36/45/1176023645.db2.gz JLCRXVSTTJQDOI-ZDUSSCGKSA-N 2 2 278.400 1.697 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698997084 1176023656 /nfs/dbraw/zinc/02/36/56/1176023656.db2.gz JLCRXVSTTJQDOI-ZDUSSCGKSA-N 2 2 278.400 1.697 10 30 CDEELP C#CC[NH2+]CC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001699099732 1176092036 /nfs/dbraw/zinc/09/20/36/1176092036.db2.gz MDROZJQQDFFYMK-LBPRGKRZSA-N 2 2 284.363 1.374 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001699152746 1176114218 /nfs/dbraw/zinc/11/42/18/1176114218.db2.gz BXJRHISEWXIJKS-NSHDSACASA-N 2 2 264.373 1.321 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001699488822 1176442874 /nfs/dbraw/zinc/44/28/74/1176442874.db2.gz IIBQWRKFVYBSKL-HUUCEWRRSA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001700682053 1177072407 /nfs/dbraw/zinc/07/24/07/1177072407.db2.gz PIKPUIXCKQCXSK-ZDUSSCGKSA-N 2 2 278.400 1.413 10 30 CDEELP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700906087 1177190839 /nfs/dbraw/zinc/19/08/39/1177190839.db2.gz JDJMALPFBLFIQS-NWDGAFQWSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH+]1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001713054826 1178334854 /nfs/dbraw/zinc/33/48/54/1178334854.db2.gz VLHMASAGPNXLOZ-UHFFFAOYSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001713089957 1178362571 /nfs/dbraw/zinc/36/25/71/1178362571.db2.gz ZBPFMFGRGYXFRK-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001713089957 1178362578 /nfs/dbraw/zinc/36/25/78/1178362578.db2.gz ZBPFMFGRGYXFRK-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713356193 1178518058 /nfs/dbraw/zinc/51/80/58/1178518058.db2.gz YAVZGCRLSRXZCX-UONOGXRCSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001713383586 1178528920 /nfs/dbraw/zinc/52/89/20/1178528920.db2.gz ZRBXDOGNRVGNQY-ZIAGYGMSSA-N 2 2 288.395 1.301 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001713475661 1178592998 /nfs/dbraw/zinc/59/29/98/1178592998.db2.gz YMHGDZKOVRMAQU-UHFFFAOYSA-N 2 2 264.373 1.275 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001713475661 1178593002 /nfs/dbraw/zinc/59/30/02/1178593002.db2.gz YMHGDZKOVRMAQU-UHFFFAOYSA-N 2 2 264.373 1.275 10 30 CDEELP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713847352 1178792858 /nfs/dbraw/zinc/79/28/58/1178792858.db2.gz LBKFBUXPZNWXLV-CQSZACIVSA-N 2 2 288.395 1.499 10 30 CDEELP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713847352 1178792866 /nfs/dbraw/zinc/79/28/66/1178792866.db2.gz LBKFBUXPZNWXLV-CQSZACIVSA-N 2 2 288.395 1.499 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001713867217 1178803428 /nfs/dbraw/zinc/80/34/28/1178803428.db2.gz DFHGLFVZJDPVNM-ZDUSSCGKSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001713867217 1178803437 /nfs/dbraw/zinc/80/34/37/1178803437.db2.gz DFHGLFVZJDPVNM-ZDUSSCGKSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001713881579 1178811907 /nfs/dbraw/zinc/81/19/07/1178811907.db2.gz HXXKZMGCAYVCJI-CQSZACIVSA-N 2 2 276.384 1.023 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001713913625 1178837248 /nfs/dbraw/zinc/83/72/48/1178837248.db2.gz FMSIPSHQMHNYKP-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP CC#CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713919370 1178846587 /nfs/dbraw/zinc/84/65/87/1178846587.db2.gz LUMUGMNSKJBJCZ-UHFFFAOYSA-N 2 2 288.395 1.078 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001714295890 1179071536 /nfs/dbraw/zinc/07/15/36/1179071536.db2.gz ZDKVJYHAOMMDNA-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001714813249 1179406854 /nfs/dbraw/zinc/40/68/54/1179406854.db2.gz FXCWLMGRNNULHI-ZDUSSCGKSA-N 2 2 290.411 1.365 10 30 CDEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716877109 1180450118 /nfs/dbraw/zinc/45/01/18/1180450118.db2.gz WRORBSWXWXUBHF-HNNXBMFYSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001716902001 1180458499 /nfs/dbraw/zinc/45/84/99/1180458499.db2.gz VHECKWJPBGWQNP-INIZCTEOSA-N 2 2 290.411 1.367 10 30 CDEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001716902001 1180458504 /nfs/dbraw/zinc/45/85/04/1180458504.db2.gz VHECKWJPBGWQNP-INIZCTEOSA-N 2 2 290.411 1.367 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001725108681 1181866662 /nfs/dbraw/zinc/86/66/62/1181866662.db2.gz IWUURSDSJCGGIM-CHWSQXEVSA-N 2 2 284.363 1.454 10 30 CDEELP C=CCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001725674139 1182094587 /nfs/dbraw/zinc/09/45/87/1182094587.db2.gz MAPBONVVWPBZEY-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001731248660 1182275764 /nfs/dbraw/zinc/27/57/64/1182275764.db2.gz SHZDUQWWUODCCD-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001731248660 1182275770 /nfs/dbraw/zinc/27/57/70/1182275770.db2.gz SHZDUQWWUODCCD-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001731504260 1182423792 /nfs/dbraw/zinc/42/37/92/1182423792.db2.gz DTBRFONBJYIKSF-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001731504260 1182423796 /nfs/dbraw/zinc/42/37/96/1182423796.db2.gz DTBRFONBJYIKSF-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001731504260 1182423799 /nfs/dbraw/zinc/42/37/99/1182423799.db2.gz DTBRFONBJYIKSF-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001731504260 1182423803 /nfs/dbraw/zinc/42/38/03/1182423803.db2.gz DTBRFONBJYIKSF-UONOGXRCSA-N 2 2 290.411 1.603 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001732569409 1183014527 /nfs/dbraw/zinc/01/45/27/1183014527.db2.gz YFVKSNFNIFSWRL-UKRRQHHQSA-N 2 2 290.411 1.342 10 30 CDEELP C#CCC[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001732569409 1183014533 /nfs/dbraw/zinc/01/45/33/1183014533.db2.gz YFVKSNFNIFSWRL-UKRRQHHQSA-N 2 2 290.411 1.342 10 30 CDEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001733561260 1183466734 /nfs/dbraw/zinc/46/67/34/1183466734.db2.gz QYIDWIUFUJFZIO-OCCSQVGLSA-N 2 2 290.411 1.521 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001733673811 1183494345 /nfs/dbraw/zinc/49/43/45/1183494345.db2.gz KLUJJVMVRWCHTF-CYBMUJFWSA-N 2 2 276.384 1.275 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001733950968 1183581464 /nfs/dbraw/zinc/58/14/64/1183581464.db2.gz CBYUZTXOBDFMQY-UHFFFAOYSA-N 2 2 284.363 1.618 10 30 CDEELP C=CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734238685 1183702045 /nfs/dbraw/zinc/70/20/45/1183702045.db2.gz AZMHHEFQPHDEKD-CYBMUJFWSA-N 2 2 292.427 1.987 10 30 CDEELP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OCC#N)cc1 ZINC000863545980 771892567 /nfs/dbraw/zinc/89/25/67/771892567.db2.gz CYHDJTJRVWFNJC-SLEUVZQESA-N 2 2 259.353 1.990 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000877247696 772251107 /nfs/dbraw/zinc/25/11/07/772251107.db2.gz VAJHZLJKHHNSIP-UONOGXRCSA-N 2 2 293.798 1.759 10 30 CDEELP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000877247696 772251117 /nfs/dbraw/zinc/25/11/17/772251117.db2.gz VAJHZLJKHHNSIP-UONOGXRCSA-N 2 2 293.798 1.759 10 30 CDEELP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001566013936 1168213160 /nfs/dbraw/zinc/21/31/60/1168213160.db2.gz PHCOCYRPBUQZLT-LSDHHAIUSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1CC ZINC001566013936 1168213168 /nfs/dbraw/zinc/21/31/68/1168213168.db2.gz PHCOCYRPBUQZLT-LSDHHAIUSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1CC ZINC001566013936 1168213174 /nfs/dbraw/zinc/21/31/74/1168213174.db2.gz PHCOCYRPBUQZLT-LSDHHAIUSA-N 2 2 288.395 1.335 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1CC ZINC001566013936 1168213183 /nfs/dbraw/zinc/21/31/83/1168213183.db2.gz PHCOCYRPBUQZLT-LSDHHAIUSA-N 2 2 288.395 1.335 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001567053948 1168535275 /nfs/dbraw/zinc/53/52/75/1168535275.db2.gz HEPMIYDXBLRCCK-YNEHKIRRSA-N 2 2 276.384 1.194 10 30 CDEELP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001272456609 913144736 /nfs/dbraw/zinc/14/47/36/913144736.db2.gz HWARRZUGECTTJU-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001272456609 913144745 /nfs/dbraw/zinc/14/47/45/913144745.db2.gz HWARRZUGECTTJU-AWEZNQCLSA-N 2 2 288.395 1.194 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001483751349 914066156 /nfs/dbraw/zinc/06/61/56/914066156.db2.gz CHIFXUHEUFMXCR-UHFFFAOYSA-N 2 2 270.336 1.372 10 30 CDEELP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001266984815 896497727 /nfs/dbraw/zinc/49/77/27/896497727.db2.gz DBIGSERQCDMESB-QWHCGFSZSA-N 2 2 278.400 1.412 10 30 CDEELP C#CCC[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001267146796 896918462 /nfs/dbraw/zinc/91/84/62/896918462.db2.gz WMXNEWHJZXSHRS-ZIAGYGMSSA-N 2 2 276.384 1.342 10 30 CDEELP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001567563092 1168858663 /nfs/dbraw/zinc/85/86/63/1168858663.db2.gz YFKFGIUUWKJVPL-CHWSQXEVSA-N 2 2 276.384 1.148 10 30 CDEELP C#CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267278784 897448458 /nfs/dbraw/zinc/44/84/58/897448458.db2.gz QJJIWNWHIGTKKF-CQSZACIVSA-N 2 2 288.395 1.220 10 30 CDEELP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267278784 897448463 /nfs/dbraw/zinc/44/84/63/897448463.db2.gz QJJIWNWHIGTKKF-CQSZACIVSA-N 2 2 288.395 1.220 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267392695 897857189 /nfs/dbraw/zinc/85/71/89/897857189.db2.gz FGYVBUQZJONSQM-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073335 898736737 /nfs/dbraw/zinc/73/67/37/898736737.db2.gz KJAZUGQLMFZPOU-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073335 898736747 /nfs/dbraw/zinc/73/67/47/898736747.db2.gz KJAZUGQLMFZPOU-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001481112983 898884685 /nfs/dbraw/zinc/88/46/85/898884685.db2.gz ORXONDDJMLETOD-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001481112983 898884699 /nfs/dbraw/zinc/88/46/99/898884699.db2.gz ORXONDDJMLETOD-CYBMUJFWSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(Cl)C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001567649481 1168905011 /nfs/dbraw/zinc/90/50/11/1168905011.db2.gz LHGGUJBAXTUTLY-UHFFFAOYSA-N 2 2 298.818 1.921 10 30 CDEELP C=C(Cl)C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001567649481 1168905014 /nfs/dbraw/zinc/90/50/14/1168905014.db2.gz LHGGUJBAXTUTLY-UHFFFAOYSA-N 2 2 298.818 1.921 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001282195203 901652711 /nfs/dbraw/zinc/65/27/11/901652711.db2.gz YCZGXRFXRRELEQ-WDEREUQCSA-N 2 2 250.346 1.011 10 30 CDEELP CC#CC[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268599214 902805440 /nfs/dbraw/zinc/80/54/40/902805440.db2.gz VCWCCAOXKOIXFT-GEXIGZQTSA-N 2 2 274.368 1.120 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001271456680 906456559 /nfs/dbraw/zinc/45/65/59/906456559.db2.gz FSJPUTKOYILEJE-ZIAGYGMSSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001483436078 911120167 /nfs/dbraw/zinc/12/01/67/911120167.db2.gz AMTIESGPGKAMHE-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001483436078 911120169 /nfs/dbraw/zinc/12/01/69/911120169.db2.gz AMTIESGPGKAMHE-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001483443626 911126209 /nfs/dbraw/zinc/12/62/09/911126209.db2.gz MNFJTLSNGAECNR-KBPBESRZSA-N 2 2 290.411 1.711 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001484657047 916002570 /nfs/dbraw/zinc/00/25/70/916002570.db2.gz YOPWUNNCADPPNH-UHFFFAOYSA-N 2 2 262.357 1.157 10 30 CDEELP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001484748773 916132940 /nfs/dbraw/zinc/13/29/40/916132940.db2.gz ZKTYGDYAFXTWBP-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001484748773 916132956 /nfs/dbraw/zinc/13/29/56/916132956.db2.gz ZKTYGDYAFXTWBP-AWEZNQCLSA-N 2 2 290.411 1.412 10 30 CDEELP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484924489 916267930 /nfs/dbraw/zinc/26/79/30/916267930.db2.gz QGWQYRMKDNZUCR-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484924489 916267949 /nfs/dbraw/zinc/26/79/49/916267949.db2.gz QGWQYRMKDNZUCR-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485161409 916618788 /nfs/dbraw/zinc/61/87/88/916618788.db2.gz CRZJHXFIZMKXSZ-VXGBXAGGSA-N 2 2 284.363 1.683 10 30 CDEELP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001485836605 920010078 /nfs/dbraw/zinc/01/00/78/920010078.db2.gz FDNCFYGPFOAEQQ-CYBMUJFWSA-N 2 2 296.802 1.462 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485893243 920551746 /nfs/dbraw/zinc/55/17/46/920551746.db2.gz IWRILALWCRZIJA-CHWSQXEVSA-N 2 2 276.384 1.068 10 30 CDEELP C=CCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001486477627 921055768 /nfs/dbraw/zinc/05/57/68/921055768.db2.gz WBIZAKWGLCXFEM-UHFFFAOYSA-N 2 2 262.357 1.107 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001488865690 926725714 /nfs/dbraw/zinc/72/57/14/926725714.db2.gz RFIFHDJQXFPBBI-MGPQQGTHSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001488865690 926725725 /nfs/dbraw/zinc/72/57/25/926725725.db2.gz RFIFHDJQXFPBBI-MGPQQGTHSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001490219885 927069558 /nfs/dbraw/zinc/06/95/58/927069558.db2.gz WAISMROPUNGBDA-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001490219885 927069563 /nfs/dbraw/zinc/06/95/63/927069563.db2.gz WAISMROPUNGBDA-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275581545 931893093 /nfs/dbraw/zinc/89/30/93/931893093.db2.gz GIPFDXKRUQYHJJ-YNEHKIRRSA-N 2 2 276.384 1.526 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275581545 931893098 /nfs/dbraw/zinc/89/30/98/931893098.db2.gz GIPFDXKRUQYHJJ-YNEHKIRRSA-N 2 2 276.384 1.526 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275581545 931893103 /nfs/dbraw/zinc/89/31/03/931893103.db2.gz GIPFDXKRUQYHJJ-YNEHKIRRSA-N 2 2 276.384 1.526 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275581545 931893109 /nfs/dbraw/zinc/89/31/09/931893109.db2.gz GIPFDXKRUQYHJJ-YNEHKIRRSA-N 2 2 276.384 1.526 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001277233846 942208163 /nfs/dbraw/zinc/20/81/63/942208163.db2.gz PFMJPALKDGQGLD-UHFFFAOYSA-N 2 2 262.357 1.075 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001281450677 942577821 /nfs/dbraw/zinc/57/78/21/942577821.db2.gz NWYGUVRBQCBWJD-JSGCOSHPSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001277654603 943254848 /nfs/dbraw/zinc/25/48/48/943254848.db2.gz AWKIFBCPGSOHPX-HNNXBMFYSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001277654603 943254854 /nfs/dbraw/zinc/25/48/54/943254854.db2.gz AWKIFBCPGSOHPX-HNNXBMFYSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[N@H+](C)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001264999309 944197842 /nfs/dbraw/zinc/19/78/42/944197842.db2.gz PQYNKUYMPUPKGL-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP CC#CC[N@@H+](C)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001264999309 944197846 /nfs/dbraw/zinc/19/78/46/944197846.db2.gz PQYNKUYMPUPKGL-UHFFFAOYSA-N 2 2 290.411 1.388 10 30 CDEELP C=CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001265949361 944589459 /nfs/dbraw/zinc/58/94/59/944589459.db2.gz KCYVTDSLJSOHBH-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266155563 944720314 /nfs/dbraw/zinc/72/03/14/944720314.db2.gz PEPFOLZXJSBTFK-LLVKDONJSA-N 2 2 272.352 1.847 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001278337047 946485611 /nfs/dbraw/zinc/48/56/11/946485611.db2.gz VBTIESWFFCTLJL-CHWSQXEVSA-N 2 2 262.357 1.038 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001480652572 971826530 /nfs/dbraw/zinc/82/65/30/971826530.db2.gz GXDKZQAXLVUBEY-ZDUSSCGKSA-N 2 2 282.347 1.019 10 30 CDEELP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480696795 971841604 /nfs/dbraw/zinc/84/16/04/971841604.db2.gz JSJKOEOLDQQPFV-KGLIPLIRSA-N 2 2 290.411 1.935 10 30 CDEELP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480696795 971841610 /nfs/dbraw/zinc/84/16/10/971841610.db2.gz JSJKOEOLDQQPFV-KGLIPLIRSA-N 2 2 290.411 1.935 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001328877123 955532304 /nfs/dbraw/zinc/53/23/04/955532304.db2.gz WMTXKSDSNLULNQ-UHFFFAOYSA-N 2 2 289.379 1.303 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001329086082 955678183 /nfs/dbraw/zinc/67/81/83/955678183.db2.gz MVRWGCHJSNQEDO-STQMWFEESA-N 2 2 284.363 1.454 10 30 CDEELP N#CCCCC[C@@H]([NH3+])c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001329122348 955699602 /nfs/dbraw/zinc/69/96/02/955699602.db2.gz XYRNKEBPLZCYGB-QWHCGFSZSA-N 2 2 289.383 1.963 10 30 CDEELP C=C(C)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001493878005 972131613 /nfs/dbraw/zinc/13/16/13/972131613.db2.gz GAUDKLUNNIPFBO-UHFFFAOYSA-N 2 2 278.400 1.676 10 30 CDEELP C=C(C)C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001493878005 972131617 /nfs/dbraw/zinc/13/16/17/972131617.db2.gz GAUDKLUNNIPFBO-UHFFFAOYSA-N 2 2 278.400 1.676 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001492447742 955895113 /nfs/dbraw/zinc/89/51/13/955895113.db2.gz MRCVDLVMRXUBIH-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001492447742 955895128 /nfs/dbraw/zinc/89/51/28/955895128.db2.gz MRCVDLVMRXUBIH-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001492447742 955895136 /nfs/dbraw/zinc/89/51/36/955895136.db2.gz MRCVDLVMRXUBIH-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001492447742 955895147 /nfs/dbraw/zinc/89/51/47/955895147.db2.gz MRCVDLVMRXUBIH-LBPRGKRZSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329473920 955936661 /nfs/dbraw/zinc/93/66/61/955936661.db2.gz DWFHXXBNMIXEKE-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329473920 955936668 /nfs/dbraw/zinc/93/66/68/955936668.db2.gz DWFHXXBNMIXEKE-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001366353500 956766529 /nfs/dbraw/zinc/76/65/29/956766529.db2.gz ZYOAZOCJPOVVOV-VXGBXAGGSA-N 2 2 284.791 1.681 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001332330377 957519873 /nfs/dbraw/zinc/51/98/73/957519873.db2.gz TZFWTTGBIGIREL-KGLIPLIRSA-N 2 2 288.395 1.158 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001317728144 957649307 /nfs/dbraw/zinc/64/93/07/957649307.db2.gz DNOIMBXEGYPZRK-INIZCTEOSA-N 2 2 296.374 1.354 10 30 CDEELP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001495010967 972372829 /nfs/dbraw/zinc/37/28/29/972372829.db2.gz FGLXVWROCASXRC-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322281217 960165886 /nfs/dbraw/zinc/16/58/86/960165886.db2.gz MBBHQTAVJFSWLB-ZIAGYGMSSA-N 2 2 292.427 1.754 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322281217 960165889 /nfs/dbraw/zinc/16/58/89/960165889.db2.gz MBBHQTAVJFSWLB-ZIAGYGMSSA-N 2 2 292.427 1.754 10 30 CDEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322281215 960166253 /nfs/dbraw/zinc/16/62/53/960166253.db2.gz MBBHQTAVJFSWLB-KGLIPLIRSA-N 2 2 292.427 1.754 10 30 CDEELP C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322281215 960166259 /nfs/dbraw/zinc/16/62/59/960166259.db2.gz MBBHQTAVJFSWLB-KGLIPLIRSA-N 2 2 292.427 1.754 10 30 CDEELP C=C(C)C[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001569576124 1169929674 /nfs/dbraw/zinc/92/96/74/1169929674.db2.gz IGTZXAZZCDCWPU-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001495581179 972545132 /nfs/dbraw/zinc/54/51/32/972545132.db2.gz IKLGJJVFBCHESK-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001495581179 972545144 /nfs/dbraw/zinc/54/51/44/972545144.db2.gz IKLGJJVFBCHESK-UKRRQHHQSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001498325063 973829986 /nfs/dbraw/zinc/82/99/86/973829986.db2.gz VAJOMBCPZZWIOB-CHWSQXEVSA-N 2 2 276.384 1.068 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001498325063 973829995 /nfs/dbraw/zinc/82/99/95/973829995.db2.gz VAJOMBCPZZWIOB-CHWSQXEVSA-N 2 2 276.384 1.068 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001377921941 975175357 /nfs/dbraw/zinc/17/53/57/975175357.db2.gz VBBXOVYLYNRNCC-NXEZZACHSA-N 2 2 284.791 1.496 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001676460859 1174228535 /nfs/dbraw/zinc/22/85/35/1174228535.db2.gz BAVRRVXTJLXCGS-ZIAGYGMSSA-N 2 2 292.427 1.754 10 30 CDEELP C#CCC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001570780045 1170280111 /nfs/dbraw/zinc/28/01/11/1170280111.db2.gz YKKKDUQRRHDDAK-OAHLLOKOSA-N 2 2 290.411 1.438 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001571394741 1170409796 /nfs/dbraw/zinc/40/97/96/1170409796.db2.gz RCQQLACGDRUOIE-UONOGXRCSA-N 2 2 290.411 1.458 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000594439251 342906738 /nfs/dbraw/zinc/90/67/38/342906738.db2.gz UNADAFUWVNLQMJ-CYBMUJFWSA-N 2 2 289.383 1.527 10 30 CDEELP N#CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000594607326 342925692 /nfs/dbraw/zinc/92/56/92/342925692.db2.gz STZORKCGKFGOEX-OAHLLOKOSA-N 2 2 277.412 1.913 10 30 CDEELP Cc1cc(C#N)ccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862399 343174475 /nfs/dbraw/zinc/17/44/75/343174475.db2.gz BJMXSEYVEQDJQG-SFHVURJKSA-N 2 2 299.418 1.898 10 30 CDEELP Cc1cc(C#N)ccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862399 343174476 /nfs/dbraw/zinc/17/44/76/343174476.db2.gz BJMXSEYVEQDJQG-SFHVURJKSA-N 2 2 299.418 1.898 10 30 CDEELP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000598994464 343936386 /nfs/dbraw/zinc/93/63/86/343936386.db2.gz NSAWQFVTZXSDDJ-NSHDSACASA-N 2 2 264.398 1.836 10 30 CDEELP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000598994464 343936388 /nfs/dbraw/zinc/93/63/88/343936388.db2.gz NSAWQFVTZXSDDJ-NSHDSACASA-N 2 2 264.398 1.836 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805956 365889403 /nfs/dbraw/zinc/88/94/03/365889403.db2.gz ADVFUCFQMWNHJV-ZNMIVQPWSA-N 2 2 279.428 1.635 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805956 365889411 /nfs/dbraw/zinc/88/94/11/365889411.db2.gz ADVFUCFQMWNHJV-ZNMIVQPWSA-N 2 2 279.428 1.635 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371879 374444356 /nfs/dbraw/zinc/44/43/56/374444356.db2.gz GRDUTZDQGGACRI-ZDUSSCGKSA-N 2 2 257.809 1.451 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371879 374444359 /nfs/dbraw/zinc/44/43/59/374444359.db2.gz GRDUTZDQGGACRI-ZDUSSCGKSA-N 2 2 257.809 1.451 10 30 CDEELP C=CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nn1 ZINC000655939834 412954224 /nfs/dbraw/zinc/95/42/24/412954224.db2.gz LJWVVIINEAUGLB-MCIONIFRSA-N 2 2 277.416 1.659 10 30 CDEELP C=CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nn1 ZINC000655939834 412954228 /nfs/dbraw/zinc/95/42/28/412954228.db2.gz LJWVVIINEAUGLB-MCIONIFRSA-N 2 2 277.416 1.659 10 30 CDEELP C=CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000225325752 390964765 /nfs/dbraw/zinc/96/47/65/390964765.db2.gz NFNYDXQRYWRZEN-INIZCTEOSA-N 2 2 289.423 1.587 10 30 CDEELP C=CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000225325752 390964766 /nfs/dbraw/zinc/96/47/66/390964766.db2.gz NFNYDXQRYWRZEN-INIZCTEOSA-N 2 2 289.423 1.587 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001664687928 1172887046 /nfs/dbraw/zinc/88/70/46/1172887046.db2.gz ZLAZTHHOLIHYBE-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001664687928 1172887059 /nfs/dbraw/zinc/88/70/59/1172887059.db2.gz ZLAZTHHOLIHYBE-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001664848134 1172919795 /nfs/dbraw/zinc/91/97/95/1172919795.db2.gz BBWNBUCQBBHGBE-AWEZNQCLSA-N 2 2 290.411 1.319 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001664848134 1172919798 /nfs/dbraw/zinc/91/97/98/1172919798.db2.gz BBWNBUCQBBHGBE-AWEZNQCLSA-N 2 2 290.411 1.319 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665664859 1173033429 /nfs/dbraw/zinc/03/34/29/1173033429.db2.gz UMFJNKSTEICSDP-UONOGXRCSA-N 2 2 276.384 1.553 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665664859 1173033436 /nfs/dbraw/zinc/03/34/36/1173033436.db2.gz UMFJNKSTEICSDP-UONOGXRCSA-N 2 2 276.384 1.553 10 30 CDEELP CC(C)NC(=O)C[N@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689112 175095382 /nfs/dbraw/zinc/09/53/82/175095382.db2.gz LRLYKZSJVNKOSC-UHFFFAOYSA-N 2 2 279.409 1.015 10 30 CDEELP CC(C)NC(=O)C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689112 175095383 /nfs/dbraw/zinc/09/53/83/175095383.db2.gz LRLYKZSJVNKOSC-UHFFFAOYSA-N 2 2 279.409 1.015 10 30 CDEELP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044529887 175194233 /nfs/dbraw/zinc/19/42/33/175194233.db2.gz OQYBWZXCUSTHCA-ZDUSSCGKSA-N 2 2 272.352 1.167 10 30 CDEELP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044529887 175194234 /nfs/dbraw/zinc/19/42/34/175194234.db2.gz OQYBWZXCUSTHCA-ZDUSSCGKSA-N 2 2 272.352 1.167 10 30 CDEELP C[NH2+][C@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000045311461 175356360 /nfs/dbraw/zinc/35/63/60/175356360.db2.gz MEQVOWNIHRAISA-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP CC(C)N[C@@H](C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315742 175357803 /nfs/dbraw/zinc/35/78/03/175357803.db2.gz FLXHQHLBWMSLNT-AWEZNQCLSA-N 2 2 252.406 1.150 10 30 CDEELP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[NH+](C)C1 ZINC000071189116 176064974 /nfs/dbraw/zinc/06/49/74/176064974.db2.gz MMUMPUCHFWTDSA-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[NH+](C)C1 ZINC000071189116 176064976 /nfs/dbraw/zinc/06/49/76/176064976.db2.gz MMUMPUCHFWTDSA-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071189116 176064977 /nfs/dbraw/zinc/06/49/77/176064977.db2.gz MMUMPUCHFWTDSA-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189116 176064978 /nfs/dbraw/zinc/06/49/78/176064978.db2.gz MMUMPUCHFWTDSA-AWEZNQCLSA-N 2 2 286.379 1.380 10 30 CDEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001672831062 1173802151 /nfs/dbraw/zinc/80/21/51/1173802151.db2.gz QCMNSLQQDPPQTJ-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C#N)c[nH+]1 ZINC000399011685 323881029 /nfs/dbraw/zinc/88/10/29/323881029.db2.gz YFCNKKJTBWMAQV-FPMFFAJLSA-N 2 2 256.353 1.825 10 30 CDEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1ccccc1 ZINC000262717229 330028424 /nfs/dbraw/zinc/02/84/24/330028424.db2.gz SNUNRKSTJZRQPO-CQSZACIVSA-N 2 2 274.368 1.276 10 30 CDEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1ccccc1 ZINC000262717229 330028425 /nfs/dbraw/zinc/02/84/25/330028425.db2.gz SNUNRKSTJZRQPO-CQSZACIVSA-N 2 2 274.368 1.276 10 30 CDEELP CCCN(CC[NH+](C)C)C[C@](C#N)([NH2+]C(C)C)C1CC1 ZINC000069081373 521656981 /nfs/dbraw/zinc/65/69/81/521656981.db2.gz AHDKIKMUIVMSOU-INIZCTEOSA-N 2 2 280.460 1.930 10 30 CDEELP CN[C@](C#N)(C[NH+]1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069079706 522509897 /nfs/dbraw/zinc/50/98/97/522509897.db2.gz HMCIWDAPEVCRDZ-OAHLLOKOSA-N 2 2 264.417 1.152 10 30 CDEELP C[N@H+](Cc1cccc(C#CC[NH3+])c1)C1CC[NH+](C)CC1 ZINC000049608601 523290717 /nfs/dbraw/zinc/29/07/17/523290717.db2.gz BPQPHJKQXPDNDF-UHFFFAOYSA-N 3 2 271.408 1.523 10 30 CDEELP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)C1CC[NH+](C)CC1 ZINC000049608601 523290726 /nfs/dbraw/zinc/29/07/26/523290726.db2.gz BPQPHJKQXPDNDF-UHFFFAOYSA-N 3 2 271.408 1.523 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000049608493 523514074 /nfs/dbraw/zinc/51/40/74/523514074.db2.gz TZWTWRLYRJNWOA-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCO[C@H](C)C1 ZINC000049608493 523514085 /nfs/dbraw/zinc/51/40/85/523514085.db2.gz TZWTWRLYRJNWOA-CYBMUJFWSA-N 2 2 274.364 1.226 10 30 CDEELP C=CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(=O)OC ZINC000905767884 626971391 /nfs/dbraw/zinc/97/13/91/626971391.db2.gz PFRZXWWJIRBVAJ-GFCCVEGCSA-N 2 2 286.441 1.521 10 30 CDEELP C[NH+](C)CC#CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000913524545 630516734 /nfs/dbraw/zinc/51/67/34/630516734.db2.gz QTAUZENKLLQTOE-UHFFFAOYSA-N 2 2 296.374 1.096 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691062633 1158866110 /nfs/dbraw/zinc/86/61/10/1158866110.db2.gz UPTYLCOKTCKSSV-KGLIPLIRSA-N 2 2 276.384 1.553 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691062633 1158866122 /nfs/dbraw/zinc/86/61/22/1158866122.db2.gz UPTYLCOKTCKSSV-KGLIPLIRSA-N 2 2 276.384 1.553 10 30 CDEELP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266859222 1158913904 /nfs/dbraw/zinc/91/39/04/1158913904.db2.gz JXSAQCXIRSBETM-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266859222 1158913907 /nfs/dbraw/zinc/91/39/07/1158913907.db2.gz JXSAQCXIRSBETM-CYBMUJFWSA-N 2 2 262.357 1.040 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001566722345 1168400086 /nfs/dbraw/zinc/40/00/86/1168400086.db2.gz FWCUMEYIJSOLEG-ZDUSSCGKSA-N 2 2 262.357 1.013 10 30 CDEELP C=CCC[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001567371619 1168714743 /nfs/dbraw/zinc/71/47/43/1168714743.db2.gz KZAYREGCKKJGFX-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001567371619 1168714753 /nfs/dbraw/zinc/71/47/53/1168714753.db2.gz KZAYREGCKKJGFX-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001567444875 1168767119 /nfs/dbraw/zinc/76/71/19/1168767119.db2.gz QIOYWIZNENCDTH-CYBMUJFWSA-N 2 2 288.395 1.212 10 30 CDEELP C=CC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001567444875 1168767121 /nfs/dbraw/zinc/76/71/21/1168767121.db2.gz QIOYWIZNENCDTH-CYBMUJFWSA-N 2 2 288.395 1.212 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001571544090 1170471659 /nfs/dbraw/zinc/47/16/59/1170471659.db2.gz JPXSISCHZFMIFO-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001571636621 1170504118 /nfs/dbraw/zinc/50/41/18/1170504118.db2.gz FIVQIHFDAHSSIK-AWEZNQCLSA-N 2 2 292.427 1.659 10 30 CDEELP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571663841 1170513920 /nfs/dbraw/zinc/51/39/20/1170513920.db2.gz IOJRGQUTPNFIDC-HSBZDZAISA-N 2 2 290.411 1.886 10 30 CDEELP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001698855181 1175964860 /nfs/dbraw/zinc/96/48/60/1175964860.db2.gz KSNUUMLGZXYBJP-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699028231 1176049401 /nfs/dbraw/zinc/04/94/01/1176049401.db2.gz KPSAPWBYOVXKCI-UONOGXRCSA-N 2 2 296.374 1.456 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699190450 1176132942 /nfs/dbraw/zinc/13/29/42/1176132942.db2.gz LOXZLOCREDCJHD-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001699610177 1176497470 /nfs/dbraw/zinc/49/74/70/1176497470.db2.gz PQJDZJMVMDNHCQ-LSDHHAIUSA-N 2 2 290.411 1.676 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001699759578 1176610944 /nfs/dbraw/zinc/61/09/44/1176610944.db2.gz IKLGJJVFBCHESK-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001699759578 1176610949 /nfs/dbraw/zinc/61/09/49/1176610949.db2.gz IKLGJJVFBCHESK-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001700346347 1176861413 /nfs/dbraw/zinc/86/14/13/1176861413.db2.gz NNTTWPHPONMGQL-HNNXBMFYSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001700759031 1177117005 /nfs/dbraw/zinc/11/70/05/1177117005.db2.gz FMNIGKXYPOVJNO-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001701001251 1177234310 /nfs/dbraw/zinc/23/43/10/1177234310.db2.gz NNHRLQAPLBSDNH-CYBMUJFWSA-N 2 2 276.384 1.027 10 30 CDEELP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707064633 1177935874 /nfs/dbraw/zinc/93/58/74/1177935874.db2.gz YOJDLUVXWHGLNM-CVEARBPZSA-N 2 2 291.439 1.273 10 30 CDEELP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707064633 1177935881 /nfs/dbraw/zinc/93/58/81/1177935881.db2.gz YOJDLUVXWHGLNM-CVEARBPZSA-N 2 2 291.439 1.273 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001713111771 1178374282 /nfs/dbraw/zinc/37/42/82/1178374282.db2.gz LZLCTGMUCBYBSE-CQSZACIVSA-N 2 2 289.379 1.303 10 30 CDEELP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001713218304 1178438897 /nfs/dbraw/zinc/43/88/97/1178438897.db2.gz RVMKDUKZSTUUJZ-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP CC#CC[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001713218304 1178438902 /nfs/dbraw/zinc/43/89/02/1178438902.db2.gz RVMKDUKZSTUUJZ-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001713964234 1178896967 /nfs/dbraw/zinc/89/69/67/1178896967.db2.gz FAOCRVSWHBTUKR-DLBZAZTESA-N 2 2 299.418 1.503 10 30 CDEELP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001713964234 1178896975 /nfs/dbraw/zinc/89/69/75/1178896975.db2.gz FAOCRVSWHBTUKR-DLBZAZTESA-N 2 2 299.418 1.503 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001714044102 1178943265 /nfs/dbraw/zinc/94/32/65/1178943265.db2.gz IUJVGLUQULAULD-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001714044102 1178943270 /nfs/dbraw/zinc/94/32/70/1178943270.db2.gz IUJVGLUQULAULD-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001714048663 1178946124 /nfs/dbraw/zinc/94/61/24/1178946124.db2.gz CMNVGWPHOSBRNQ-HNNXBMFYSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001714048663 1178946130 /nfs/dbraw/zinc/94/61/30/1178946130.db2.gz CMNVGWPHOSBRNQ-HNNXBMFYSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714614256 1179267390 /nfs/dbraw/zinc/26/73/90/1179267390.db2.gz WGYGJNWJGSULCG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714614256 1179267396 /nfs/dbraw/zinc/26/73/96/1179267396.db2.gz WGYGJNWJGSULCG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714614256 1179267402 /nfs/dbraw/zinc/26/74/02/1179267402.db2.gz WGYGJNWJGSULCG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714614256 1179267409 /nfs/dbraw/zinc/26/74/09/1179267409.db2.gz WGYGJNWJGSULCG-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001715043531 1179524446 /nfs/dbraw/zinc/52/44/46/1179524446.db2.gz HWJJVZYNUZDWCI-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001715043531 1179524449 /nfs/dbraw/zinc/52/44/49/1179524449.db2.gz HWJJVZYNUZDWCI-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001715239028 1179592238 /nfs/dbraw/zinc/59/22/38/1179592238.db2.gz MVSPZWDGZJRWAF-UONOGXRCSA-N 2 2 290.411 1.364 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001715274478 1179604713 /nfs/dbraw/zinc/60/47/13/1179604713.db2.gz WSZVINQHJVDRNT-ZDUSSCGKSA-N 2 2 264.373 1.191 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001715555328 1179715014 /nfs/dbraw/zinc/71/50/14/1179715014.db2.gz ASYBDSAIBPCXQG-ZIAGYGMSSA-N 2 2 288.395 1.158 10 30 CDEELP C#CC[NH2+]C/C=C\CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715851089 1179869111 /nfs/dbraw/zinc/86/91/11/1179869111.db2.gz MJTZDCZSPMTVHM-ARJAWSKDSA-N 2 2 294.358 1.381 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001716503592 1180257910 /nfs/dbraw/zinc/25/79/10/1180257910.db2.gz SYPUMEWNFXVMON-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCC[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001716503592 1180257913 /nfs/dbraw/zinc/25/79/13/1180257913.db2.gz SYPUMEWNFXVMON-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001716685571 1180370481 /nfs/dbraw/zinc/37/04/81/1180370481.db2.gz GKVJEBNWPKTMFB-UHFFFAOYSA-N 2 2 289.379 1.447 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001716753414 1180401489 /nfs/dbraw/zinc/40/14/89/1180401489.db2.gz DYBHNPSVZCEVAL-MRXNPFEDSA-N 2 2 293.455 1.826 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001717902970 1180921619 /nfs/dbraw/zinc/92/16/19/1180921619.db2.gz JOMQUZNDUYPIJK-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001724890976 1181788563 /nfs/dbraw/zinc/78/85/63/1181788563.db2.gz ISTQGPQLPNHGJJ-UHFFFAOYSA-N 2 2 290.411 1.820 10 30 CDEELP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001725150559 1181883668 /nfs/dbraw/zinc/88/36/68/1181883668.db2.gz SMHLBHCGDVJHCD-CQSZACIVSA-N 2 2 290.411 1.542 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001731835103 1182615590 /nfs/dbraw/zinc/61/55/90/1182615590.db2.gz QBCQIYBZGGOQCE-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001731835103 1182615594 /nfs/dbraw/zinc/61/55/94/1182615594.db2.gz QBCQIYBZGGOQCE-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001731835103 1182615595 /nfs/dbraw/zinc/61/55/95/1182615595.db2.gz QBCQIYBZGGOQCE-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001731835103 1182615599 /nfs/dbraw/zinc/61/55/99/1182615599.db2.gz QBCQIYBZGGOQCE-DZGCQCFKSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001731958030 1182700819 /nfs/dbraw/zinc/70/08/19/1182700819.db2.gz YEMLMPTYRVYORN-GFCCVEGCSA-N 2 2 264.373 1.355 10 30 CDEELP C[NH+](C)CCC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001732133531 1182793807 /nfs/dbraw/zinc/79/38/07/1182793807.db2.gz KBLLTMYVDNTKNP-UHFFFAOYSA-N 2 2 299.418 1.038 10 30 CDEELP C=CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001732237044 1182875097 /nfs/dbraw/zinc/87/50/97/1182875097.db2.gz IKCDRNFJKCAZAB-UHFFFAOYSA-N 2 2 290.411 1.868 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001732630838 1183056938 /nfs/dbraw/zinc/05/69/38/1183056938.db2.gz PXBBXUDBPHXOHR-UKRRQHHQSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001733000431 1183231385 /nfs/dbraw/zinc/23/13/85/1183231385.db2.gz MQVKALLDMALIQE-LBPRGKRZSA-N 2 2 278.400 1.597 10 30 CDEELP C=CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001733903637 1183563437 /nfs/dbraw/zinc/56/34/37/1183563437.db2.gz ZCOXLVHALZKMHQ-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001733903637 1183563439 /nfs/dbraw/zinc/56/34/39/1183563439.db2.gz ZCOXLVHALZKMHQ-KGLIPLIRSA-N 2 2 290.411 1.508 10 30 CDEELP c1cn(CCCNN=C2CCC[N@@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000848416497 776317554 /nfs/dbraw/zinc/31/75/54/776317554.db2.gz NFXDWCUXTQTNNP-HNNXBMFYSA-N 2 2 275.400 1.867 10 30 CDEELP c1cn(CCCNN=C2CCC[N@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000848416497 776317565 /nfs/dbraw/zinc/31/75/65/776317565.db2.gz NFXDWCUXTQTNNP-HNNXBMFYSA-N 2 2 275.400 1.867 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CC/N=C/c1ccc(O)c(O)c1O ZINC000849169950 776435693 /nfs/dbraw/zinc/43/56/93/776435693.db2.gz JFJYHPPPMLRFTI-LFIBNONCSA-N 2 2 295.383 1.106 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CC/N=C/c1ccc(O)c(O)c1O ZINC000849169950 776435714 /nfs/dbraw/zinc/43/57/14/776435714.db2.gz JFJYHPPPMLRFTI-LFIBNONCSA-N 2 2 295.383 1.106 10 30 CDEELP C[N@H+](Cc1ccc(C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000725055283 777036739 /nfs/dbraw/zinc/03/67/39/777036739.db2.gz KOEGTUNATDAYHG-UHFFFAOYSA-N 2 2 259.353 1.498 10 30 CDEELP C[N@@H+](Cc1ccc(C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000725055283 777036751 /nfs/dbraw/zinc/03/67/51/777036751.db2.gz KOEGTUNATDAYHG-UHFFFAOYSA-N 2 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913144608 /nfs/dbraw/zinc/14/46/08/913144608.db2.gz HWARRZUGECTTJU-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001272456610 913144616 /nfs/dbraw/zinc/14/46/16/913144616.db2.gz HWARRZUGECTTJU-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001267093608 896762083 /nfs/dbraw/zinc/76/20/83/896762083.db2.gz MKZPBUUUFHFUML-LSDHHAIUSA-N 2 2 290.411 1.866 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267278783 897447638 /nfs/dbraw/zinc/44/76/38/897447638.db2.gz QJJIWNWHIGTKKF-AWEZNQCLSA-N 2 2 288.395 1.220 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267278783 897447646 /nfs/dbraw/zinc/44/76/46/897447646.db2.gz QJJIWNWHIGTKKF-AWEZNQCLSA-N 2 2 288.395 1.220 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267279365 897451902 /nfs/dbraw/zinc/45/19/02/897451902.db2.gz CPNDYGLTOCJKSB-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267279365 897451906 /nfs/dbraw/zinc/45/19/06/897451906.db2.gz CPNDYGLTOCJKSB-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267670911 899215065 /nfs/dbraw/zinc/21/50/65/899215065.db2.gz PZDKWBNPEDKSPH-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267670911 899215077 /nfs/dbraw/zinc/21/50/77/899215077.db2.gz PZDKWBNPEDKSPH-OAHLLOKOSA-N 2 2 290.411 1.630 10 30 CDEELP C=CCC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001267864957 899902799 /nfs/dbraw/zinc/90/27/99/899902799.db2.gz OVRGFTMRRIQRQP-OAHLLOKOSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001268209354 901572854 /nfs/dbraw/zinc/57/28/54/901572854.db2.gz WQDBLNZPARSODU-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001268209354 901572860 /nfs/dbraw/zinc/57/28/60/901572860.db2.gz WQDBLNZPARSODU-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001481695816 901820526 /nfs/dbraw/zinc/82/05/26/901820526.db2.gz HJSXLXVTPBTKSS-OCCSQVGLSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001481695816 901820533 /nfs/dbraw/zinc/82/05/33/901820533.db2.gz HJSXLXVTPBTKSS-OCCSQVGLSA-N 2 2 290.411 1.806 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268460096 902173386 /nfs/dbraw/zinc/17/33/86/902173386.db2.gz OZEBJEJXCDGMJD-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482149486 902766869 /nfs/dbraw/zinc/76/68/69/902766869.db2.gz NGACVDAFTCFUGD-NWDGAFQWSA-N 2 2 264.373 1.116 10 30 CDEELP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482149486 902766885 /nfs/dbraw/zinc/76/68/85/902766885.db2.gz NGACVDAFTCFUGD-NWDGAFQWSA-N 2 2 264.373 1.116 10 30 CDEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001269198845 903533030 /nfs/dbraw/zinc/53/30/30/903533030.db2.gz FAOCRVSWHBTUKR-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001269198845 903533040 /nfs/dbraw/zinc/53/30/40/903533040.db2.gz FAOCRVSWHBTUKR-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001269339184 903714575 /nfs/dbraw/zinc/71/45/75/903714575.db2.gz XJYUWDOIFLHREN-ZDUSSCGKSA-N 2 2 276.384 1.417 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001269339184 903714581 /nfs/dbraw/zinc/71/45/81/903714581.db2.gz XJYUWDOIFLHREN-ZDUSSCGKSA-N 2 2 276.384 1.417 10 30 CDEELP CC#CC[NH2+][C@@H](CC)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001269477893 903844547 /nfs/dbraw/zinc/84/45/47/903844547.db2.gz WDQKTFVRSGOTQM-KGLIPLIRSA-N 2 2 276.384 1.342 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001269526799 903894686 /nfs/dbraw/zinc/89/46/86/903894686.db2.gz YVXDWRTYHXEWIR-UHFFFAOYSA-N 2 2 276.384 1.465 10 30 CDEELP C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001270435525 904635259 /nfs/dbraw/zinc/63/52/59/904635259.db2.gz CKPIQSKIPVKYFZ-LBPRGKRZSA-N 2 2 278.400 1.455 10 30 CDEELP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001271312194 906245025 /nfs/dbraw/zinc/24/50/25/906245025.db2.gz YHEVTPRFEBEIOO-AWEZNQCLSA-N 2 2 290.411 1.404 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001271355911 906268815 /nfs/dbraw/zinc/26/88/15/906268815.db2.gz YKACWGDIZZWMDO-CQSZACIVSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482831652 908411136 /nfs/dbraw/zinc/41/11/36/908411136.db2.gz ATIBASYYAUKHSO-GFCCVEGCSA-N 2 2 286.379 1.927 10 30 CDEELP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482844930 908422161 /nfs/dbraw/zinc/42/21/61/908422161.db2.gz ITAWAMDNTNCLAS-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH+]1CCC(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001568129872 1169141407 /nfs/dbraw/zinc/14/14/07/1169141407.db2.gz IZHHLWWRINTLNG-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485208756 916674156 /nfs/dbraw/zinc/67/41/56/916674156.db2.gz YSVQQDVJWNYTDX-VHSXEESVSA-N 2 2 270.764 1.188 10 30 CDEELP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001485480866 917012593 /nfs/dbraw/zinc/01/25/93/917012593.db2.gz ZWQVGJYEPOAHNL-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001485480866 917012603 /nfs/dbraw/zinc/01/26/03/917012603.db2.gz ZWQVGJYEPOAHNL-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001485480866 917012615 /nfs/dbraw/zinc/01/26/15/917012615.db2.gz ZWQVGJYEPOAHNL-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001485480866 917012622 /nfs/dbraw/zinc/01/26/22/917012622.db2.gz ZWQVGJYEPOAHNL-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001486126459 920754732 /nfs/dbraw/zinc/75/47/32/920754732.db2.gz DCXFSQSFGGRRCM-QWHCGFSZSA-N 2 2 276.384 1.118 10 30 CDEELP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001274105553 931170337 /nfs/dbraw/zinc/17/03/37/931170337.db2.gz KOXPHAGVLHBNKL-IJWDBEHRSA-N 2 2 274.368 1.351 10 30 CDEELP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001274105553 931170341 /nfs/dbraw/zinc/17/03/41/931170341.db2.gz KOXPHAGVLHBNKL-IJWDBEHRSA-N 2 2 274.368 1.351 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001323242423 931764956 /nfs/dbraw/zinc/76/49/56/931764956.db2.gz MLSUDRSEBAHXHS-STQMWFEESA-N 2 2 271.380 1.043 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001323242423 931764961 /nfs/dbraw/zinc/76/49/61/931764961.db2.gz MLSUDRSEBAHXHS-STQMWFEESA-N 2 2 271.380 1.043 10 30 CDEELP CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275828127 932072675 /nfs/dbraw/zinc/07/26/75/932072675.db2.gz SXEPZOCUQLNVCW-ZDUSSCGKSA-N 2 2 298.390 1.716 10 30 CDEELP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275828127 932072678 /nfs/dbraw/zinc/07/26/78/932072678.db2.gz SXEPZOCUQLNVCW-ZDUSSCGKSA-N 2 2 298.390 1.716 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317161941 942622570 /nfs/dbraw/zinc/62/25/70/942622570.db2.gz PRHIXXBUFMFUAM-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001284248914 943131724 /nfs/dbraw/zinc/13/17/24/943131724.db2.gz WCVCJSGTDMTKBL-GJZGRUSLSA-N 2 2 288.395 1.171 10 30 CDEELP C#CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1CC ZINC001264615391 944154331 /nfs/dbraw/zinc/15/43/31/944154331.db2.gz VETUWYGMLBUZIY-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1CC ZINC001264615391 944154333 /nfs/dbraw/zinc/15/43/33/944154333.db2.gz VETUWYGMLBUZIY-LSDHHAIUSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266020155 944635984 /nfs/dbraw/zinc/63/59/84/944635984.db2.gz CWZYCCPLDOUSRA-KBPBESRZSA-N 2 2 288.395 1.050 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266020155 944635986 /nfs/dbraw/zinc/63/59/86/944635986.db2.gz CWZYCCPLDOUSRA-KBPBESRZSA-N 2 2 288.395 1.050 10 30 CDEELP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001480272472 971656735 /nfs/dbraw/zinc/65/67/35/971656735.db2.gz TXIZPKWTKJULKA-CYBMUJFWSA-N 2 2 296.802 1.464 10 30 CDEELP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001480272472 971656737 /nfs/dbraw/zinc/65/67/37/971656737.db2.gz TXIZPKWTKJULKA-CYBMUJFWSA-N 2 2 296.802 1.464 10 30 CDEELP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001480387548 971697244 /nfs/dbraw/zinc/69/72/44/971697244.db2.gz RNVNCWHKHFGSTN-KBPBESRZSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001480387548 971697248 /nfs/dbraw/zinc/69/72/48/971697248.db2.gz RNVNCWHKHFGSTN-KBPBESRZSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001480774533 971872965 /nfs/dbraw/zinc/87/29/65/971872965.db2.gz JXXVTHZSHLUNNN-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C=C(C)C[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001328929237 955561512 /nfs/dbraw/zinc/56/15/12/955561512.db2.gz YIGOEGPXOZVEBK-WLYUNCDWSA-N 2 2 290.411 1.895 10 30 CDEELP N#Cc1cccc([C@@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC001422159821 955797075 /nfs/dbraw/zinc/79/70/75/955797075.db2.gz DXKFQCTWYGCTOO-KRWDZBQOSA-N 2 2 294.358 1.627 10 30 CDEELP N#Cc1cccc([C@@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC001422159821 955797090 /nfs/dbraw/zinc/79/70/90/955797090.db2.gz DXKFQCTWYGCTOO-KRWDZBQOSA-N 2 2 294.358 1.627 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001422520663 956114870 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C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317513429 957521134 /nfs/dbraw/zinc/52/11/34/957521134.db2.gz VNMCTHIXAXMBGM-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317513429 957521139 /nfs/dbraw/zinc/52/11/39/957521139.db2.gz VNMCTHIXAXMBGM-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=CCCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001502798926 974786467 /nfs/dbraw/zinc/78/64/67/974786467.db2.gz VNEPBZIIEVROBJ-UHFFFAOYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001505459225 974887128 /nfs/dbraw/zinc/88/71/28/974887128.db2.gz MKLAROGHAVCGGA-OAHLLOKOSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001505459225 974887132 /nfs/dbraw/zinc/88/71/32/974887132.db2.gz MKLAROGHAVCGGA-OAHLLOKOSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCCC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001506639905 975195137 /nfs/dbraw/zinc/19/51/37/975195137.db2.gz MAPJXQAEAYXDHX-AWEZNQCLSA-N 2 2 290.411 1.676 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001506991964 975286128 /nfs/dbraw/zinc/28/61/28/975286128.db2.gz NYEJFHLTJSWJCI-DZGCQCFKSA-N 2 2 290.411 1.342 10 30 CDEELP C#CC[NH2+][C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001506991964 975286131 /nfs/dbraw/zinc/28/61/31/975286131.db2.gz NYEJFHLTJSWJCI-DZGCQCFKSA-N 2 2 290.411 1.342 10 30 CDEELP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398622250 976081777 /nfs/dbraw/zinc/08/17/77/976081777.db2.gz OAPWQCPWPAOTLG-TXEJJXNPSA-N 2 2 296.802 1.342 10 30 CDEELP C#CC[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001675141142 1174079408 /nfs/dbraw/zinc/07/94/08/1174079408.db2.gz VGNUMBJSASKXFW-ZDUSSCGKSA-N 2 2 276.384 1.048 10 30 CDEELP C=CC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001570265565 1170123426 /nfs/dbraw/zinc/12/34/26/1170123426.db2.gz SBDSYTJPHLLEKQ-UHFFFAOYSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001570781636 1170280054 /nfs/dbraw/zinc/28/00/54/1170280054.db2.gz VFQLPUDMRHVSAI-ZDUSSCGKSA-N 2 2 278.400 1.601 10 30 CDEELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000595905326 343188410 /nfs/dbraw/zinc/18/84/10/343188410.db2.gz BRSAXKSYJYRQHS-MRXNPFEDSA-N 2 2 288.395 1.496 10 30 CDEELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000595905326 343188411 /nfs/dbraw/zinc/18/84/11/343188411.db2.gz BRSAXKSYJYRQHS-MRXNPFEDSA-N 2 2 288.395 1.496 10 30 CDEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001660855786 1172290427 /nfs/dbraw/zinc/29/04/27/1172290427.db2.gz PUKGXDQNNWSFHO-AWEZNQCLSA-N 2 2 290.411 1.807 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001660855786 1172290428 /nfs/dbraw/zinc/29/04/28/1172290428.db2.gz PUKGXDQNNWSFHO-AWEZNQCLSA-N 2 2 290.411 1.807 10 30 CDEELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000542693406 368808390 /nfs/dbraw/zinc/80/83/90/368808390.db2.gz XTMZYBPTTWJBGU-NSHDSACASA-N 2 2 255.325 1.825 10 30 CDEELP C=CCNC(=O)[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981692 373893816 /nfs/dbraw/zinc/89/38/16/373893816.db2.gz OVQNIBWQKZTDSA-AWEZNQCLSA-N 2 2 279.428 1.627 10 30 CDEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336352 375504015 /nfs/dbraw/zinc/50/40/15/375504015.db2.gz OSSPTQAFQFLIAK-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336352 375504022 /nfs/dbraw/zinc/50/40/22/375504022.db2.gz OSSPTQAFQFLIAK-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336352 375504027 /nfs/dbraw/zinc/50/40/27/375504027.db2.gz OSSPTQAFQFLIAK-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336352 375504036 /nfs/dbraw/zinc/50/40/36/375504036.db2.gz OSSPTQAFQFLIAK-GDBMZVCRSA-N 2 2 270.380 1.869 10 30 CDEELP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123238801 375827352 /nfs/dbraw/zinc/82/73/52/375827352.db2.gz XNAOAQHEVMSUIB-ZIAGYGMSSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123238801 375827359 /nfs/dbraw/zinc/82/73/59/375827359.db2.gz XNAOAQHEVMSUIB-ZIAGYGMSSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123238801 375827362 /nfs/dbraw/zinc/82/73/62/375827362.db2.gz XNAOAQHEVMSUIB-ZIAGYGMSSA-N 2 2 280.416 1.163 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123238801 375827369 /nfs/dbraw/zinc/82/73/69/375827369.db2.gz XNAOAQHEVMSUIB-ZIAGYGMSSA-N 2 2 280.416 1.163 10 30 CDEELP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515665 376001950 /nfs/dbraw/zinc/00/19/50/376001950.db2.gz MPOMDAYERIJXKB-ZDUSSCGKSA-N 2 2 274.368 1.118 10 30 CDEELP C=CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515665 376001956 /nfs/dbraw/zinc/00/19/56/376001956.db2.gz MPOMDAYERIJXKB-ZDUSSCGKSA-N 2 2 274.368 1.118 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887442 376779401 /nfs/dbraw/zinc/77/94/01/376779401.db2.gz RKNGSWJUVQTQME-LSDHHAIUSA-N 2 2 277.412 1.261 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887442 376779404 /nfs/dbraw/zinc/77/94/04/376779404.db2.gz RKNGSWJUVQTQME-LSDHHAIUSA-N 2 2 277.412 1.261 10 30 CDEELP COc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1 ZINC000058426843 391923456 /nfs/dbraw/zinc/92/34/56/391923456.db2.gz OWSKEFFSOHQCMU-AWEZNQCLSA-N 2 2 276.384 1.365 10 30 CDEELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000305804696 149167111 /nfs/dbraw/zinc/16/71/11/149167111.db2.gz FYIZYOTYWSEQIJ-TZMCWYRMSA-N 2 2 291.370 1.805 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001665355066 1172984927 /nfs/dbraw/zinc/98/49/27/1172984927.db2.gz WCAZDOPAAKAQPD-LBPRGKRZSA-N 2 2 290.411 1.663 10 30 CDEELP C=CC[C@@]1(C(=O)N[C@H](C)c2[nH+]ccn2CC)CCC[NH2+]1 ZINC000662901159 413686254 /nfs/dbraw/zinc/68/62/54/413686254.db2.gz FCWAKPJPMPTJFD-DOMZBBRYSA-N 2 2 276.384 1.779 10 30 CDEELP CC[C@@H]1C[N@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688916 175096039 /nfs/dbraw/zinc/09/60/39/175096039.db2.gz SVXVONNECLXWPC-CYBMUJFWSA-N 2 2 264.394 1.669 10 30 CDEELP CC[C@@H]1C[N@@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688916 175096042 /nfs/dbraw/zinc/09/60/42/175096042.db2.gz SVXVONNECLXWPC-CYBMUJFWSA-N 2 2 264.394 1.669 10 30 CDEELP CCC[NH+]1CCN(CCCC[C@](C)(C#N)[NH2+]C)CC1 ZINC000045306460 175355973 /nfs/dbraw/zinc/35/59/73/175355973.db2.gz JWDSPUVDFLAUNR-OAHLLOKOSA-N 2 2 266.433 1.686 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045320998 175358925 /nfs/dbraw/zinc/35/89/25/175358925.db2.gz JYCXSDKFIPYFJF-MRXNPFEDSA-N 2 2 294.443 1.636 10 30 CDEELP C[N@@H+](Cc1ccc(C#CCO)cc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071190502 176067227 /nfs/dbraw/zinc/06/72/27/176067227.db2.gz LOKWUTYJMAEZHI-OAHLLOKOSA-N 2 2 290.382 1.553 10 30 CDEELP C[N@H+](Cc1ccc(C#CCO)cc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071190502 176067228 /nfs/dbraw/zinc/06/72/28/176067228.db2.gz LOKWUTYJMAEZHI-OAHLLOKOSA-N 2 2 290.382 1.553 10 30 CDEELP C[NH+](Cc1ccc(C#CCO)cc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071190502 176067229 /nfs/dbraw/zinc/06/72/29/176067229.db2.gz LOKWUTYJMAEZHI-OAHLLOKOSA-N 2 2 290.382 1.553 10 30 CDEELP C[NH+](Cc1ccc(C#CCO)cc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190502 176067230 /nfs/dbraw/zinc/06/72/30/176067230.db2.gz LOKWUTYJMAEZHI-OAHLLOKOSA-N 2 2 290.382 1.553 10 30 CDEELP COCC[N@H+](CCC#N)Cc1ccccc1C#CC[NH3+] ZINC000071228779 176091319 /nfs/dbraw/zinc/09/13/19/176091319.db2.gz TVHVILNCXKJEHN-UHFFFAOYSA-N 2 2 271.364 1.359 10 30 CDEELP COCC[N@@H+](CCC#N)Cc1ccccc1C#CC[NH3+] ZINC000071228779 176091320 /nfs/dbraw/zinc/09/13/20/176091320.db2.gz TVHVILNCXKJEHN-UHFFFAOYSA-N 2 2 271.364 1.359 10 30 CDEELP C=C(C)CC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001665955701 1173089771 /nfs/dbraw/zinc/08/97/71/1173089771.db2.gz DEORIYIOANLVFN-UHFFFAOYSA-N 2 2 290.411 1.937 10 30 CDEELP N#C[C@@H]1CC[C@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000407989955 260153214 /nfs/dbraw/zinc/15/32/14/260153214.db2.gz MEHKJJHABQHVJD-OLZOCXBDSA-N 2 2 259.357 1.220 10 30 CDEELP CC[C@@H]1C[N@H+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CCO1 ZINC000262830737 330034779 /nfs/dbraw/zinc/03/47/79/330034779.db2.gz ZTMGPRZXMGNJMT-ZIAGYGMSSA-N 2 2 282.432 1.144 10 30 CDEELP CC[C@@H]1C[N@@H+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CCO1 ZINC000262830737 330034781 /nfs/dbraw/zinc/03/47/81/330034781.db2.gz ZTMGPRZXMGNJMT-ZIAGYGMSSA-N 2 2 282.432 1.144 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000424175218 330315241 /nfs/dbraw/zinc/31/52/41/330315241.db2.gz TTXQXNVCFNDTCN-AAEUAGOBSA-N 2 2 264.373 1.167 10 30 CDEELP N#CC1(C[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000528392180 333433586 /nfs/dbraw/zinc/43/35/86/333433586.db2.gz BLHVQBKAOLEIJT-CYBMUJFWSA-N 2 2 274.368 1.644 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001691537482 1160638592 /nfs/dbraw/zinc/63/85/92/1160638592.db2.gz DFPNBBXQVQQTJK-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP CCC[NH2+][C@@H](C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062437499 519983597 /nfs/dbraw/zinc/98/35/97/519983597.db2.gz BBHHTKZMMQJAMT-CQSZACIVSA-N 2 2 266.433 1.684 10 30 CDEELP CC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000329231954 529083244 /nfs/dbraw/zinc/08/32/44/529083244.db2.gz FPYOVPAOWNTHCP-NSHDSACASA-N 2 2 250.346 1.783 10 30 CDEELP CC[N@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000329231954 529083247 /nfs/dbraw/zinc/08/32/47/529083247.db2.gz FPYOVPAOWNTHCP-NSHDSACASA-N 2 2 250.346 1.783 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001688947500 1175075435 /nfs/dbraw/zinc/07/54/35/1175075435.db2.gz GFWIMCDBQVPVOK-MGPQQGTHSA-N 2 2 290.411 1.791 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001689909733 1175302600 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1172713644 /nfs/dbraw/zinc/71/36/44/1172713644.db2.gz AYYUYNQFISKCQM-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001663511773 1172713651 /nfs/dbraw/zinc/71/36/51/1172713651.db2.gz AYYUYNQFISKCQM-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001671558408 1173688331 /nfs/dbraw/zinc/68/83/31/1173688331.db2.gz DKMUVDLYSQZHMA-AWEZNQCLSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001675368939 1174107181 /nfs/dbraw/zinc/10/71/81/1174107181.db2.gz CHDXARKAEKLASR-WMLDXEAASA-N 2 2 299.418 1.359 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691814635 1175631287 /nfs/dbraw/zinc/63/12/87/1175631287.db2.gz DENKJTJWINIMTD-RBSFLKMASA-N 2 2 290.411 1.895 10 30 CDEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001691864862 1175639078 /nfs/dbraw/zinc/63/90/78/1175639078.db2.gz WARFXWKUQCRZRZ-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001691864862 1175639080 /nfs/dbraw/zinc/63/90/80/1175639080.db2.gz WARFXWKUQCRZRZ-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001698603714 1175867604 /nfs/dbraw/zinc/86/76/04/1175867604.db2.gz FWTGZURCFDGGAE-KGLIPLIRSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699380317 1176339711 /nfs/dbraw/zinc/33/97/11/1176339711.db2.gz IRPVHRKZMVMEPL-JHJVBQTASA-N 2 2 276.384 1.194 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001699506405 1176454341 /nfs/dbraw/zinc/45/43/41/1176454341.db2.gz FUFVCRRCYYIKJV-ZFWWWQNUSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001699506405 1176454348 /nfs/dbraw/zinc/45/43/48/1176454348.db2.gz FUFVCRRCYYIKJV-ZFWWWQNUSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001699765509 1176613609 /nfs/dbraw/zinc/61/36/09/1176613609.db2.gz DXAMQFLLSHQBLA-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001700925443 1177197528 /nfs/dbraw/zinc/19/75/28/1177197528.db2.gz ADMWQFLVZJESGW-CQSZACIVSA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001713063465 1178338513 /nfs/dbraw/zinc/33/85/13/1178338513.db2.gz DRCOQQQMTMNQBE-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001713063465 1178338521 /nfs/dbraw/zinc/33/85/21/1178338521.db2.gz DRCOQQQMTMNQBE-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001713348473 1178514020 /nfs/dbraw/zinc/51/40/20/1178514020.db2.gz VVXITKQVOXCBKG-AWEZNQCLSA-N 2 2 298.390 1.962 10 30 CDEELP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713375787 1178527737 /nfs/dbraw/zinc/52/77/37/1178527737.db2.gz VXDSHSBEBGPMDE-CHWSQXEVSA-N 2 2 276.384 1.545 10 30 CDEELP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713375787 1178527743 /nfs/dbraw/zinc/52/77/43/1178527743.db2.gz VXDSHSBEBGPMDE-CHWSQXEVSA-N 2 2 276.384 1.545 10 30 CDEELP C=CCCC[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001713614093 1178680692 /nfs/dbraw/zinc/68/06/92/1178680692.db2.gz OEJNQIIJWZNESF-UHFFFAOYSA-N 2 2 286.379 1.962 10 30 CDEELP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001715157082 1179567073 /nfs/dbraw/zinc/56/70/73/1179567073.db2.gz UWDDKVCIDFDXIF-CQSZACIVSA-N 2 2 288.395 1.194 10 30 CDEELP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001715374649 1179648517 /nfs/dbraw/zinc/64/85/17/1179648517.db2.gz YFSPWTOHBNSDDB-KGLIPLIRSA-N 2 2 292.427 1.754 10 30 CDEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001715389510 1179653982 /nfs/dbraw/zinc/65/39/82/1179653982.db2.gz FGKGGOWFDOQINX-ZDUSSCGKSA-N 2 2 278.400 1.269 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001716187723 1180089615 /nfs/dbraw/zinc/08/96/15/1180089615.db2.gz PMVOAXVXNYHOLH-LBPRGKRZSA-N 2 2 264.373 1.023 10 30 CDEELP C=CCCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001717014762 1180501380 /nfs/dbraw/zinc/50/13/80/1180501380.db2.gz FHLVDADGWQDPSD-GASCZTMLSA-N 2 2 288.395 1.240 10 30 CDEELP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001717014762 1180501385 /nfs/dbraw/zinc/50/13/85/1180501385.db2.gz FHLVDADGWQDPSD-GASCZTMLSA-N 2 2 288.395 1.240 10 30 CDEELP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001717118192 1180535582 /nfs/dbraw/zinc/53/55/82/1180535582.db2.gz OMSACTLHSPAJHL-AWEZNQCLSA-N 2 2 296.374 1.483 10 30 CDEELP C#CCC[NH2+][C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001717516884 1180719738 /nfs/dbraw/zinc/71/97/38/1180719738.db2.gz RWAVFKNASGWYMU-CQSZACIVSA-N 2 2 290.411 1.438 10 30 CDEELP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001717555441 1180737743 /nfs/dbraw/zinc/73/77/43/1180737743.db2.gz VSZJAZDFEXLBEB-ZDUSSCGKSA-N 2 2 276.384 1.286 10 30 CDEELP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001717649460 1180773563 /nfs/dbraw/zinc/77/35/63/1180773563.db2.gz LNKLSDBAYOFMCQ-MGPQQGTHSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001717649460 1180773573 /nfs/dbraw/zinc/77/35/73/1180773573.db2.gz LNKLSDBAYOFMCQ-MGPQQGTHSA-N 2 2 288.395 1.096 10 30 CDEELP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001717825335 1180881565 /nfs/dbraw/zinc/88/15/65/1180881565.db2.gz FDJCMEZHPISOGN-UONOGXRCSA-N 2 2 290.411 1.508 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001717874112 1180906900 /nfs/dbraw/zinc/90/69/00/1180906900.db2.gz ZHOATRZHJBWDLK-OLZOCXBDSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001717874112 1180906906 /nfs/dbraw/zinc/90/69/06/1180906906.db2.gz ZHOATRZHJBWDLK-OLZOCXBDSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001717997379 1180962404 /nfs/dbraw/zinc/96/24/04/1180962404.db2.gz QLLKFWCPHMBSHS-DCBWTQNWSA-N 2 2 276.384 1.353 10 30 CDEELP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001717997379 1180962411 /nfs/dbraw/zinc/96/24/11/1180962411.db2.gz QLLKFWCPHMBSHS-DCBWTQNWSA-N 2 2 276.384 1.353 10 30 CDEELP C=CCC[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001722913533 1181492407 /nfs/dbraw/zinc/49/24/07/1181492407.db2.gz KTUSQGOWTDJLTG-NSHDSACASA-N 2 2 264.373 1.273 10 30 CDEELP C=CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001722913533 1181492401 /nfs/dbraw/zinc/49/24/01/1181492401.db2.gz KTUSQGOWTDJLTG-NSHDSACASA-N 2 2 264.373 1.273 10 30 CDEELP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001724604768 1181703011 /nfs/dbraw/zinc/70/30/11/1181703011.db2.gz OHTOHKZBVITZMK-UONOGXRCSA-N 2 2 276.384 1.143 10 30 CDEELP C=C(C)CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001724794902 1181755920 /nfs/dbraw/zinc/75/59/20/1181755920.db2.gz HGSBSYDLIIHMHW-UHFFFAOYSA-N 2 2 276.384 1.547 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001725758855 1182124216 /nfs/dbraw/zinc/12/42/16/1182124216.db2.gz TVYQMCDLWRGPRJ-GFCCVEGCSA-N 2 2 278.400 1.649 10 30 CDEELP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731600163 1182472712 /nfs/dbraw/zinc/47/27/12/1182472712.db2.gz SXKFDKMVXDQIJL-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001731600163 1182472715 /nfs/dbraw/zinc/47/27/15/1182472715.db2.gz SXKFDKMVXDQIJL-JHJVBQTASA-N 2 2 276.384 1.574 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732350268 1182921055 /nfs/dbraw/zinc/92/10/55/1182921055.db2.gz XJJOUSAQPBQEDS-GFCCVEGCSA-N 2 2 284.363 1.542 10 30 CDEELP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001732542930 1183001217 /nfs/dbraw/zinc/00/12/17/1183001217.db2.gz IJEPPAKHVMDZCC-HIFRSBDPSA-N 2 2 288.395 1.192 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001732630835 1183057222 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CDEELP N#C[C@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC000931287094 781460300 /nfs/dbraw/zinc/46/03/00/781460300.db2.gz MSXZSANEUVOTLI-HOCLYGCPSA-N 2 2 277.412 1.865 10 30 CDEELP N#C[C@H]1CC[C@H]([NH+]2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC000931287094 781460324 /nfs/dbraw/zinc/46/03/24/781460324.db2.gz MSXZSANEUVOTLI-HOCLYGCPSA-N 2 2 277.412 1.865 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878060310 781753617 /nfs/dbraw/zinc/75/36/17/781753617.db2.gz UKDWRIGPVPBUEQ-QWHCGFSZSA-N 2 2 263.341 1.638 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878060310 781753624 /nfs/dbraw/zinc/75/36/24/781753624.db2.gz UKDWRIGPVPBUEQ-QWHCGFSZSA-N 2 2 263.341 1.638 10 30 CDEELP C=CCC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001565499046 1168149230 /nfs/dbraw/zinc/14/92/30/1168149230.db2.gz LINZGDRPTIXDQO-UHFFFAOYSA-N 2 2 288.395 1.384 10 30 CDEELP C=CCC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001565499046 1168149234 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C=C(C)C[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269801594 904119076 /nfs/dbraw/zinc/11/90/76/904119076.db2.gz YXNZRYGYLHIOAI-UHFFFAOYSA-N 2 2 265.401 1.189 10 30 CDEELP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001482499088 906673164 /nfs/dbraw/zinc/67/31/64/906673164.db2.gz OTSPIVSWNAUESH-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001567900575 1169049943 /nfs/dbraw/zinc/04/99/43/1169049943.db2.gz BRJNJCORRBOPPK-CVEARBPZSA-N 2 2 287.407 1.666 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001567900575 1169049950 /nfs/dbraw/zinc/04/99/50/1169049950.db2.gz BRJNJCORRBOPPK-CVEARBPZSA-N 2 2 287.407 1.666 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484359602 915664689 /nfs/dbraw/zinc/66/46/89/915664689.db2.gz XCKWNSQEYOXUFX-GJZGRUSLSA-N 2 2 290.411 1.676 10 30 CDEELP CCO[C@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)C[NH+](C)C ZINC000922757342 921791401 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C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266021404 944637864 /nfs/dbraw/zinc/63/78/64/944637864.db2.gz WDNAAXBPSDXMGY-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266021404 944637870 /nfs/dbraw/zinc/63/78/70/944637870.db2.gz WDNAAXBPSDXMGY-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480084579 971569211 /nfs/dbraw/zinc/56/92/11/971569211.db2.gz IHKRPKCHWSBBGK-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480084579 971569221 /nfs/dbraw/zinc/56/92/21/971569221.db2.gz IHKRPKCHWSBBGK-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316666576 955290212 /nfs/dbraw/zinc/29/02/12/955290212.db2.gz NGCUNFDCUSRVRP-QWHCGFSZSA-N 2 2 276.384 1.321 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001422520656 956115316 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CDEELP CCC[NH+]1CCN(CC[C@@](C)(C#N)[NH2+]C(C)C)CC1 ZINC000045178753 175323991 /nfs/dbraw/zinc/32/39/91/175323991.db2.gz JZMKBBFPAJLREN-HNNXBMFYSA-N 2 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307873 175356426 /nfs/dbraw/zinc/35/64/26/175356426.db2.gz CUWAUQISJISVGE-OAHLLOKOSA-N 3 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307873 175356428 /nfs/dbraw/zinc/35/64/28/175356428.db2.gz CUWAUQISJISVGE-OAHLLOKOSA-N 3 2 266.433 1.684 10 30 CDEELP C[C@]([NH3+])(C#N)CCCN1CC[NH+](CC2CC2)CC1 ZINC000045320715 175359154 /nfs/dbraw/zinc/35/91/54/175359154.db2.gz OVJWUZVAFPTRNJ-CQSZACIVSA-N 2 2 250.390 1.035 10 30 CDEELP C[C@@H]1CSCC[NH+]1CC#CC[N@H+]1CCSC[C@H]1C ZINC000341880208 263362569 /nfs/dbraw/zinc/36/25/69/263362569.db2.gz DEVHXHOXTWULJG-ZIAGYGMSSA-N 2 2 284.494 1.864 10 30 CDEELP C[C@@H]1CSCC[NH+]1CC#CC[N@@H+]1CCSC[C@H]1C ZINC000341880208 263362570 /nfs/dbraw/zinc/36/25/70/263362570.db2.gz 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ZINC001480710668 971846608 /nfs/dbraw/zinc/84/66/08/971846608.db2.gz WVJHNAVVFSGNGM-KGLIPLIRSA-N 2 2 290.411 1.556 10 30 CDEELP C=CC[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491594624 955305905 /nfs/dbraw/zinc/30/59/05/955305905.db2.gz GMPWBXMCBUKJPY-RYUDHWBXSA-N 2 2 250.346 1.115 10 30 CDEELP C#CC[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001328586813 955358248 /nfs/dbraw/zinc/35/82/48/955358248.db2.gz GESWMBVROVNQFH-UHFFFAOYSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@H+](CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001328586813 955358258 /nfs/dbraw/zinc/35/82/58/955358258.db2.gz GESWMBVROVNQFH-UHFFFAOYSA-N 2 2 288.395 1.146 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001491848275 955467417 /nfs/dbraw/zinc/46/74/17/955467417.db2.gz UIFPBRRDPKNFAO-ZDUSSCGKSA-N 2 2 290.411 1.702 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329070366 955665793 /nfs/dbraw/zinc/66/57/93/955665793.db2.gz QUKOSIHQKLGVQZ-WDEREUQCSA-N 2 2 270.336 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/nfs/dbraw/zinc/29/76/83/958297683.db2.gz WFSSAXXSPLATKB-UHFFFAOYSA-N 2 2 274.368 1.208 10 30 CDEELP C=CC[N@@H+]1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001333379761 958297693 /nfs/dbraw/zinc/29/76/93/958297693.db2.gz WFSSAXXSPLATKB-UHFFFAOYSA-N 2 2 274.368 1.208 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001319255911 958459851 /nfs/dbraw/zinc/45/98/51/958459851.db2.gz BMLPSTFIRYDJBP-QWHCGFSZSA-N 2 2 278.400 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001319255911 958459856 /nfs/dbraw/zinc/45/98/56/958459856.db2.gz BMLPSTFIRYDJBP-QWHCGFSZSA-N 2 2 278.400 1.506 10 30 CDEELP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001442553760 965113473 /nfs/dbraw/zinc/11/34/73/965113473.db2.gz RNGADLMKGIXQRS-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001442553760 965113479 /nfs/dbraw/zinc/11/34/79/965113479.db2.gz RNGADLMKGIXQRS-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001442553760 965113483 /nfs/dbraw/zinc/11/34/83/965113483.db2.gz RNGADLMKGIXQRS-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001442553760 965113486 /nfs/dbraw/zinc/11/34/86/965113486.db2.gz RNGADLMKGIXQRS-ZIAGYGMSSA-N 2 2 299.846 1.804 10 30 CDEELP C=CC[NH2+]C[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001495666756 972585714 /nfs/dbraw/zinc/58/57/14/972585714.db2.gz DWHNNVBTQGJCTJ-ZDUSSCGKSA-N 2 2 290.411 1.290 10 30 CDEELP C=CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001495690515 972598773 /nfs/dbraw/zinc/59/87/73/972598773.db2.gz DZGLYGHMWXFYAL-LBPRGKRZSA-N 2 2 277.368 1.161 10 30 CDEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001569651676 1169953348 /nfs/dbraw/zinc/95/33/48/1169953348.db2.gz UQYJCBJDGYIOOD-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001569651676 1169953354 /nfs/dbraw/zinc/95/33/54/1169953354.db2.gz UQYJCBJDGYIOOD-MRXNPFEDSA-N 2 2 290.411 1.509 10 30 CDEELP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492677 972939524 /nfs/dbraw/zinc/93/95/24/972939524.db2.gz XKQYSDCQUGFUKB-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001374178586 973808457 /nfs/dbraw/zinc/80/84/57/973808457.db2.gz AJILNTUPMKUHNK-UHFFFAOYSA-N 2 2 296.802 1.654 10 30 CDEELP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001501574723 974601154 /nfs/dbraw/zinc/60/11/54/974601154.db2.gz QYXHEFGBZADTOT-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001501574723 974601158 /nfs/dbraw/zinc/60/11/58/974601158.db2.gz QYXHEFGBZADTOT-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001505500004 974895483 /nfs/dbraw/zinc/89/54/83/974895483.db2.gz KLCLSBAANGYBED-UHFFFAOYSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001505500004 974895486 /nfs/dbraw/zinc/89/54/86/974895486.db2.gz KLCLSBAANGYBED-UHFFFAOYSA-N 2 2 262.357 1.013 10 30 CDEELP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001507086014 975330785 /nfs/dbraw/zinc/33/07/85/975330785.db2.gz JMYMKLIWMXYQHV-HUUCEWRRSA-N 2 2 290.411 1.540 10 30 CDEELP C=CC[N@@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001507840415 975551122 /nfs/dbraw/zinc/55/11/22/975551122.db2.gz HPGMOBCRGHWXQK-UHFFFAOYSA-N 2 2 264.373 1.307 10 30 CDEELP C=CC[N@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001507840415 975551130 /nfs/dbraw/zinc/55/11/30/975551130.db2.gz HPGMOBCRGHWXQK-UHFFFAOYSA-N 2 2 264.373 1.307 10 30 CDEELP C=CCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001570382114 1170147814 /nfs/dbraw/zinc/14/78/14/1170147814.db2.gz FFUOCKOJAZLXOK-UHFFFAOYSA-N 2 2 276.384 1.499 10 30 CDEELP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001571320180 1170365005 /nfs/dbraw/zinc/36/50/05/1170365005.db2.gz VKJRFDPCPRRKKW-LLVKDONJSA-N 2 2 284.791 1.579 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001656080633 1171759912 /nfs/dbraw/zinc/75/99/12/1171759912.db2.gz JWCMKQQTNCFEER-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001656080633 1171759924 /nfs/dbraw/zinc/75/99/24/1171759924.db2.gz JWCMKQQTNCFEER-AWEZNQCLSA-N 2 2 290.411 1.462 10 30 CDEELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600748451 342247278 /nfs/dbraw/zinc/24/72/78/342247278.db2.gz MZVVZVNCUSPDPH-QWHCGFSZSA-N 2 2 265.401 1.504 10 30 CDEELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600748451 342247279 /nfs/dbraw/zinc/24/72/79/342247279.db2.gz MZVVZVNCUSPDPH-QWHCGFSZSA-N 2 2 265.401 1.504 10 30 CDEELP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599677318 344116582 /nfs/dbraw/zinc/11/65/82/344116582.db2.gz FASSAZKMUNAARI-INIZCTEOSA-N 2 2 287.407 1.423 10 30 CDEELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599677318 344116585 /nfs/dbraw/zinc/11/65/85/344116585.db2.gz FASSAZKMUNAARI-INIZCTEOSA-N 2 2 287.407 1.423 10 30 CDEELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677318 344116587 /nfs/dbraw/zinc/11/65/87/344116587.db2.gz FASSAZKMUNAARI-INIZCTEOSA-N 2 2 287.407 1.423 10 30 CDEELP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677318 344116588 /nfs/dbraw/zinc/11/65/88/344116588.db2.gz FASSAZKMUNAARI-INIZCTEOSA-N 2 2 287.407 1.423 10 30 CDEELP C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001660551024 1172233279 /nfs/dbraw/zinc/23/32/79/1172233279.db2.gz VCVZVYQTZSYUEJ-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001660551024 1172233288 /nfs/dbraw/zinc/23/32/88/1172233288.db2.gz VCVZVYQTZSYUEJ-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C#CCCCCCC[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001660748240 1172267816 /nfs/dbraw/zinc/26/78/16/1172267816.db2.gz BNMMYCMQEKSWRQ-HZPDHXFCSA-N 2 2 265.445 1.794 10 30 CDEELP C#CCCCCCC[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001660748240 1172267823 /nfs/dbraw/zinc/26/78/23/1172267823.db2.gz BNMMYCMQEKSWRQ-HZPDHXFCSA-N 2 2 265.445 1.794 10 30 CDEELP C[NH+]1CCC([NH+]2CCC(Nc3ccncc3C#N)CC2)CC1 ZINC000368380621 374163654 /nfs/dbraw/zinc/16/36/54/374163654.db2.gz OMPLVTJAKNHZHT-UHFFFAOYSA-N 2 2 299.422 1.346 10 30 CDEELP C=C(C)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915175 374427029 /nfs/dbraw/zinc/42/70/29/374427029.db2.gz KBTJTMNFTNBMMD-MRXNPFEDSA-N 2 2 281.444 1.289 10 30 CDEELP C=C(C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915175 374427048 /nfs/dbraw/zinc/42/70/48/374427048.db2.gz KBTJTMNFTNBMMD-MRXNPFEDSA-N 2 2 281.444 1.289 10 30 CDEELP C=CCCn1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)nn1 ZINC000655940978 412954864 /nfs/dbraw/zinc/95/48/64/412954864.db2.gz JIRDWZULXNGODK-CYBMUJFWSA-N 2 2 263.389 1.332 10 30 CDEELP C[C@@H](CC#N)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000065564680 392038007 /nfs/dbraw/zinc/03/80/07/392038007.db2.gz FPLGQJNAAUTNFW-HNNXBMFYSA-N 2 2 286.423 1.826 10 30 CDEELP C[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000065564680 392038016 /nfs/dbraw/zinc/03/80/16/392038016.db2.gz FPLGQJNAAUTNFW-HNNXBMFYSA-N 2 2 286.423 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193821148 392066770 /nfs/dbraw/zinc/06/67/70/392066770.db2.gz MZODBIODQVRJDK-AWEZNQCLSA-N 2 2 281.444 1.826 10 30 CDEELP C=CC[C@]1(C(=O)NCCc2cn3ccccc3[nH+]2)CCC[NH2+]1 ZINC000662671332 413287588 /nfs/dbraw/zinc/28/75/88/413287588.db2.gz NGHFILPZEWROEG-QGZVFWFLSA-N 2 2 298.390 1.691 10 30 CDEELP C=CC[C@]1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCC[NH2+]1 ZINC000662694309 413326969 /nfs/dbraw/zinc/32/69/69/413326969.db2.gz OWVGEYRNOVXBJS-GOSISDBHSA-N 2 2 299.418 1.817 10 30 CDEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)o1 ZINC000371470506 160014205 /nfs/dbraw/zinc/01/42/05/160014205.db2.gz LXJKWDRQFNGOTO-WQVCFCJDSA-N 2 2 289.379 1.835 10 30 CDEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)o1 ZINC000371470506 160014207 /nfs/dbraw/zinc/01/42/07/160014207.db2.gz LXJKWDRQFNGOTO-WQVCFCJDSA-N 2 2 289.379 1.835 10 30 CDEELP CN[C@@](C)(C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045181571 175324705 /nfs/dbraw/zinc/32/47/05/175324705.db2.gz KUPDIDSGGMOSBE-MRXNPFEDSA-N 2 2 278.444 1.828 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCN1CC[NH+](C2CC2)CC1 ZINC000045183320 175326302 /nfs/dbraw/zinc/32/63/02/175326302.db2.gz HHJITKRJGBTQDO-OAHLLOKOSA-N 2 2 264.417 1.437 10 30 CDEELP CC(C)[NH2+][C@@](C)(C#N)CCCC[NH+]1CCOCC1 ZINC000045306748 175355553 /nfs/dbraw/zinc/35/55/53/175355553.db2.gz AOKJQHSDIFDOHP-CQSZACIVSA-N 2 2 253.390 1.769 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+]1CCOC[C@@H]1C ZINC000045310416 175356260 /nfs/dbraw/zinc/35/62/60/175356260.db2.gz MEHJFOJBILYGLJ-KBPBESRZSA-N 2 2 253.390 1.768 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCC[N@H+]1CCOC[C@@H]1C ZINC000045310416 175356261 /nfs/dbraw/zinc/35/62/61/175356261.db2.gz MEHJFOJBILYGLJ-KBPBESRZSA-N 2 2 253.390 1.768 10 30 CDEELP O=C(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)NC1CC1 ZINC000330084668 228035330 /nfs/dbraw/zinc/03/53/30/228035330.db2.gz CHNYFXDVEJRYNY-UHFFFAOYSA-N 2 2 288.395 1.755 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001666574123 1173155321 /nfs/dbraw/zinc/15/53/21/1173155321.db2.gz TZRLVWUUNBXVGK-UONOGXRCSA-N 2 2 290.411 1.364 10 30 CDEELP C[C@H]1CSCC[NH+]1CC#CC[N@H+]1CCSC[C@@H]1C ZINC000341880201 263361983 /nfs/dbraw/zinc/36/19/83/263361983.db2.gz DEVHXHOXTWULJG-KBPBESRZSA-N 2 2 284.494 1.864 10 30 CDEELP C[C@H]1CSCC[NH+]1CC#CC[N@@H+]1CCSC[C@@H]1C ZINC000341880201 263361986 /nfs/dbraw/zinc/36/19/86/263361986.db2.gz DEVHXHOXTWULJG-KBPBESRZSA-N 2 2 284.494 1.864 10 30 CDEELP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001667467830 1173272273 /nfs/dbraw/zinc/27/22/73/1173272273.db2.gz CBTFWQDPMJXSRT-MCIONIFRSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001667467830 1173272277 /nfs/dbraw/zinc/27/22/77/1173272277.db2.gz CBTFWQDPMJXSRT-MCIONIFRSA-N 2 2 290.411 1.820 10 30 CDEELP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001671675076 1173702679 /nfs/dbraw/zinc/70/26/79/1173702679.db2.gz SPLTYFJOVDYMCM-GDBMZVCRSA-N 2 2 288.395 1.438 10 30 CDEELP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001671675076 1173702683 /nfs/dbraw/zinc/70/26/83/1173702683.db2.gz SPLTYFJOVDYMCM-GDBMZVCRSA-N 2 2 288.395 1.438 10 30 CDEELP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)C[NH2+]C ZINC000566351827 327332064 /nfs/dbraw/zinc/33/20/64/327332064.db2.gz FQMWOORHSXFVFD-HNNXBMFYSA-N 2 2 293.367 1.553 10 30 CDEELP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)C[NH2+]C ZINC000566351827 327332066 /nfs/dbraw/zinc/33/20/66/327332066.db2.gz FQMWOORHSXFVFD-HNNXBMFYSA-N 2 2 293.367 1.553 10 30 CDEELP C=CCNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180669047 329221853 /nfs/dbraw/zinc/22/18/53/329221853.db2.gz SPXOKFWAIGKCRC-ZDUSSCGKSA-N 2 2 284.363 1.825 10 30 CDEELP CC[NH+]=C(NCC1(C)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262358106 330007837 /nfs/dbraw/zinc/00/78/37/330007837.db2.gz GFEBVJQNDIKWNU-AWEZNQCLSA-N 2 2 294.443 1.159 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+](CC(C)C)CC1 ZINC000055081066 520031111 /nfs/dbraw/zinc/03/11/11/520031111.db2.gz UULFVFILBSJOFJ-MRXNPFEDSA-N 2 2 280.460 1.932 10 30 CDEELP CC[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615625 520225700 /nfs/dbraw/zinc/22/57/00/520225700.db2.gz FXBVBUVVYCRGLG-XHSDSOJGSA-N 2 2 278.444 1.827 10 30 CDEELP CC[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068615625 520225705 /nfs/dbraw/zinc/22/57/05/520225705.db2.gz FXBVBUVVYCRGLG-XHSDSOJGSA-N 2 2 278.444 1.827 10 30 CDEELP CC[N@H+](CC(=O)N(C)C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609712 520299996 /nfs/dbraw/zinc/29/99/96/520299996.db2.gz PLRAANPFNYHQAU-UHFFFAOYSA-N 2 2 291.370 1.046 10 30 CDEELP CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609712 520300003 /nfs/dbraw/zinc/30/00/03/520300003.db2.gz PLRAANPFNYHQAU-UHFFFAOYSA-N 2 2 291.370 1.046 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2ccc(F)c(C#CCO)c2)CC1 ZINC000049618460 524040140 /nfs/dbraw/zinc/04/01/40/524040140.db2.gz OLKOSUDXUFVVDX-UHFFFAOYSA-N 2 2 290.382 1.696 10 30 CDEELP C#C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000769960695 575403626 /nfs/dbraw/zinc/40/36/26/575403626.db2.gz GPPVOSMXPWXSMG-ZBFHGGJFSA-N 2 2 260.381 1.433 10 30 CDEELP C#C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000769960695 575403628 /nfs/dbraw/zinc/40/36/28/575403628.db2.gz GPPVOSMXPWXSMG-ZBFHGGJFSA-N 2 2 260.381 1.433 10 30 CDEELP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000769960695 575403629 /nfs/dbraw/zinc/40/36/29/575403629.db2.gz GPPVOSMXPWXSMG-ZBFHGGJFSA-N 2 2 260.381 1.433 10 30 CDEELP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000769960695 575403631 /nfs/dbraw/zinc/40/36/31/575403631.db2.gz GPPVOSMXPWXSMG-ZBFHGGJFSA-N 2 2 260.381 1.433 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941060263 613328262 /nfs/dbraw/zinc/32/82/62/613328262.db2.gz COVHBJBGDFFRJO-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941060263 613328263 /nfs/dbraw/zinc/32/82/63/613328263.db2.gz COVHBJBGDFFRJO-CQSZACIVSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473521 617599076 /nfs/dbraw/zinc/59/90/76/617599076.db2.gz YUXCVHSHVICTDE-ZIAGYGMSSA-N 2 2 265.401 1.189 10 30 CDEELP C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934473521 617599077 /nfs/dbraw/zinc/59/90/77/617599077.db2.gz YUXCVHSHVICTDE-ZIAGYGMSSA-N 2 2 265.401 1.189 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287164 617688898 /nfs/dbraw/zinc/68/88/98/617688898.db2.gz UYIQSYYIZLKSNJ-HNNXBMFYSA-N 2 2 264.413 1.975 10 30 CDEELP CCC#C[C@H](C)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287164 617688906 /nfs/dbraw/zinc/68/89/06/617688906.db2.gz UYIQSYYIZLKSNJ-HNNXBMFYSA-N 2 2 264.413 1.975 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924984239 618538041 /nfs/dbraw/zinc/53/80/41/618538041.db2.gz PZRBBNXABMSQIA-NHAGDIPZSA-N 2 2 252.402 1.897 10 30 CDEELP C[C@@H](C#N)OCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000801918877 624952280 /nfs/dbraw/zinc/95/22/80/624952280.db2.gz AUUKZLCKNLMWPR-JKSUJKDBSA-N 2 2 294.443 1.017 10 30 CDEELP C[C@@H](C#N)OCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000801918877 624952289 /nfs/dbraw/zinc/95/22/89/624952289.db2.gz AUUKZLCKNLMWPR-JKSUJKDBSA-N 2 2 294.443 1.017 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000907778516 627832337 /nfs/dbraw/zinc/83/23/37/627832337.db2.gz LOSNXVKFGWOUIR-AWEZNQCLSA-N 2 2 290.411 1.634 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670713959 1158716243 /nfs/dbraw/zinc/71/62/43/1158716243.db2.gz NHHAGBQEWANJQE-CYBMUJFWSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670713959 1158716238 /nfs/dbraw/zinc/71/62/38/1158716238.db2.gz NHHAGBQEWANJQE-CYBMUJFWSA-N 2 2 276.384 1.119 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001671368088 1159131188 /nfs/dbraw/zinc/13/11/88/1159131188.db2.gz FVNBRISUKNLRIU-ZDUSSCGKSA-N 2 2 290.411 1.844 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483933571 1161241838 /nfs/dbraw/zinc/24/18/38/1161241838.db2.gz KRDBCVRJVMSDIN-BFHYXJOUSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483933571 1161241843 /nfs/dbraw/zinc/24/18/43/1161241843.db2.gz KRDBCVRJVMSDIN-BFHYXJOUSA-N 2 2 288.395 1.670 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001691712954 1166542046 /nfs/dbraw/zinc/54/20/46/1166542046.db2.gz ICMHEJFBLFELSC-XBXGTLAGSA-N 2 2 289.379 1.303 10 30 CDEELP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566841746 1168440821 /nfs/dbraw/zinc/44/08/21/1168440821.db2.gz HLRRPIGCGFMSBV-ZNMIVQPWSA-N 2 2 288.395 1.340 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001567808286 1168987090 /nfs/dbraw/zinc/98/70/90/1168987090.db2.gz OEIPNOZJMQCBRU-UONOGXRCSA-N 2 2 290.411 1.989 10 30 CDEELP C=CCCC[NH+]1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001569496363 1169900136 /nfs/dbraw/zinc/90/01/36/1169900136.db2.gz LNOVPLOFJXGZTR-UHFFFAOYSA-N 2 2 290.411 1.462 10 30 CDEELP C=CC[NH2+][C@@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001570458954 1170163845 /nfs/dbraw/zinc/16/38/45/1170163845.db2.gz CTPANHJEOJAMDP-LBPRGKRZSA-N 2 2 286.379 1.927 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571545697 1170472421 /nfs/dbraw/zinc/47/24/21/1170472421.db2.gz FVJZKUMZVUWNBX-OLZOCXBDSA-N 2 2 276.384 1.403 10 30 CDEELP C=C(C)C[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001660749615 1172270717 /nfs/dbraw/zinc/27/07/17/1172270717.db2.gz RDQNXIMEMYAKHI-UHFFFAOYSA-N 2 2 290.411 1.807 10 30 CDEELP C=C(C)C[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001660749615 1172270731 /nfs/dbraw/zinc/27/07/31/1172270731.db2.gz RDQNXIMEMYAKHI-UHFFFAOYSA-N 2 2 290.411 1.807 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001666585520 1173156454 /nfs/dbraw/zinc/15/64/54/1173156454.db2.gz ZLVJSHMFOPOPGB-ZDUSSCGKSA-N 2 2 286.379 1.866 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001690847068 1175589577 /nfs/dbraw/zinc/58/95/77/1175589577.db2.gz ZXTQTTVPYODHQY-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001690847068 1175589582 /nfs/dbraw/zinc/58/95/82/1175589582.db2.gz ZXTQTTVPYODHQY-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691925687 1175652150 /nfs/dbraw/zinc/65/21/50/1175652150.db2.gz RRCMGUCKUOVZNR-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691925687 1175652152 /nfs/dbraw/zinc/65/21/52/1175652152.db2.gz RRCMGUCKUOVZNR-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C#CCC[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001692210438 1175702612 /nfs/dbraw/zinc/70/26/12/1175702612.db2.gz VWXIJZKHQKASHO-UHFFFAOYSA-N 2 2 291.439 1.463 10 30 CDEELP C#CCC[NH+]1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001692210438 1175702618 /nfs/dbraw/zinc/70/26/18/1175702618.db2.gz VWXIJZKHQKASHO-UHFFFAOYSA-N 2 2 291.439 1.463 10 30 CDEELP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001698714400 1175901774 /nfs/dbraw/zinc/90/17/74/1175901774.db2.gz IVTYDVKPSFYCEG-HDJSIYSDSA-N 2 2 288.395 1.301 10 30 CDEELP C#CC[NH2+]C[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001698748261 1175916256 /nfs/dbraw/zinc/91/62/56/1175916256.db2.gz KOZCIMXQDFCVQQ-GFCCVEGCSA-N 2 2 284.363 1.231 10 30 CDEELP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001698871564 1175973934 /nfs/dbraw/zinc/97/39/34/1175973934.db2.gz OERGSDWJXASWNG-AWEZNQCLSA-N 2 2 276.384 1.027 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699364541 1176320542 /nfs/dbraw/zinc/32/05/42/1176320542.db2.gz JJWFVBHJHKGWRS-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699364541 1176320549 /nfs/dbraw/zinc/32/05/49/1176320549.db2.gz JJWFVBHJHKGWRS-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699713841 1176583474 /nfs/dbraw/zinc/58/34/74/1176583474.db2.gz MMCGRGSUFJZJGG-AWEZNQCLSA-N 2 2 267.417 1.291 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001699930999 1176686067 /nfs/dbraw/zinc/68/60/67/1176686067.db2.gz BRLXKUBLPJGCSV-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001699930999 1176686073 /nfs/dbraw/zinc/68/60/73/1176686073.db2.gz BRLXKUBLPJGCSV-KBPBESRZSA-N 2 2 290.411 1.745 10 30 CDEELP C#CCC[NH2+][C@H](CCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001700714539 1177087670 /nfs/dbraw/zinc/08/76/70/1177087670.db2.gz ITPRVPDOXJAKDK-OAHLLOKOSA-N 2 2 290.411 1.106 10 30 CDEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001713002818 1178292996 /nfs/dbraw/zinc/29/29/96/1178292996.db2.gz OPAZJQVOTPKCJB-KGLIPLIRSA-N 2 2 288.395 1.335 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713365018 1178522499 /nfs/dbraw/zinc/52/24/99/1178522499.db2.gz BHQJBQNZEWLTKT-OAHLLOKOSA-N 2 2 290.411 1.678 10 30 CDEELP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCn2cc[nH+]c2)C1 ZINC001713719290 1178720445 /nfs/dbraw/zinc/72/04/45/1178720445.db2.gz XOFWRKKMMVQUPC-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCn2cc[nH+]c2)C1 ZINC001713719290 1178720451 /nfs/dbraw/zinc/72/04/51/1178720451.db2.gz XOFWRKKMMVQUPC-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713792236 1178756444 /nfs/dbraw/zinc/75/64/44/1178756444.db2.gz UFGILQHHPVPFMW-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713792236 1178756446 /nfs/dbraw/zinc/75/64/46/1178756446.db2.gz UFGILQHHPVPFMW-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001713834956 1178784498 /nfs/dbraw/zinc/78/44/98/1178784498.db2.gz RIBXLBAPQSQIEN-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001713834956 1178784502 /nfs/dbraw/zinc/78/45/02/1178784502.db2.gz RIBXLBAPQSQIEN-CQSZACIVSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714155739 1178994731 /nfs/dbraw/zinc/99/47/31/1178994731.db2.gz JXRNALPXJWDGLW-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714155739 1178994736 /nfs/dbraw/zinc/99/47/36/1178994736.db2.gz JXRNALPXJWDGLW-KGLIPLIRSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001714245766 1179043137 /nfs/dbraw/zinc/04/31/37/1179043137.db2.gz RALYDNPCKMLEEV-LSDHHAIUSA-N 2 2 290.411 1.588 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716785402 1180415054 /nfs/dbraw/zinc/41/50/54/1180415054.db2.gz DBQAQLPXWNJJMG-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716877110 1180450201 /nfs/dbraw/zinc/45/02/01/1180450201.db2.gz WRORBSWXWXUBHF-OAHLLOKOSA-N 2 2 276.384 1.357 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717373279 1180635078 /nfs/dbraw/zinc/63/50/78/1180635078.db2.gz GYBYZGGANJNBDC-CYBMUJFWSA-N 2 2 288.395 1.243 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717373279 1180635080 /nfs/dbraw/zinc/63/50/80/1180635080.db2.gz GYBYZGGANJNBDC-CYBMUJFWSA-N 2 2 288.395 1.243 10 30 CDEELP C=C(C)CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717703687 1180796690 /nfs/dbraw/zinc/79/66/90/1180796690.db2.gz LOYPZFHJAFFFKI-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)CC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717703687 1180796698 /nfs/dbraw/zinc/79/66/98/1180796698.db2.gz LOYPZFHJAFFFKI-UHFFFAOYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001717745300 1180822228 /nfs/dbraw/zinc/82/22/28/1180822228.db2.gz SPNMVCQGTQOWFP-ZIAGYGMSSA-N 2 2 278.400 1.847 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001724608988 1181702568 /nfs/dbraw/zinc/70/25/68/1181702568.db2.gz ZMAWJFMHJRWUGJ-GXTWGEPZSA-N 2 2 290.411 1.521 10 30 CDEELP C#CC[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732210244 1182858767 /nfs/dbraw/zinc/85/87/67/1182858767.db2.gz ZIUUODOLXBWEHQ-GFCCVEGCSA-N 2 2 270.336 1.294 10 30 CDEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001733230327 1183358365 /nfs/dbraw/zinc/35/83/65/1183358365.db2.gz GCVYYFOVFXSDTG-GXTWGEPZSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001733230327 1183358370 /nfs/dbraw/zinc/35/83/70/1183358370.db2.gz GCVYYFOVFXSDTG-GXTWGEPZSA-N 2 2 290.411 1.806 10 30 CDEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001734460742 1183786871 /nfs/dbraw/zinc/78/68/71/1183786871.db2.gz RHFNQWUNTKWLNL-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001734460742 1183786876 /nfs/dbraw/zinc/78/68/76/1183786876.db2.gz RHFNQWUNTKWLNL-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP Nc1ccc2c(c1)CCC2=[NH+]NCC[NH+]1CCCCC1 ZINC000834942884 784370051 /nfs/dbraw/zinc/37/00/51/784370051.db2.gz NRSGIOLUISPIAR-UHFFFAOYSA-N 2 2 272.396 1.995 10 30 CDEELP C=CC[C@H](C(=O)OC)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172881 1166155680 /nfs/dbraw/zinc/15/56/80/1166155680.db2.gz NQMMYJVMTJADDW-GFCCVEGCSA-N 2 2 263.341 1.707 10 30 CDEELP C=CCOCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796341470 786431544 /nfs/dbraw/zinc/43/15/44/786431544.db2.gz DDFTVBJMOLPNBH-UHFFFAOYSA-N 2 2 255.387 1.497 10 30 CDEELP N#Cc1ccc([C@H](O)C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000709017114 789113722 /nfs/dbraw/zinc/11/37/22/789113722.db2.gz XTTIVRAIMKLWQT-JKSUJKDBSA-N 2 2 273.380 1.795 10 30 CDEELP N#Cc1ccc([C@H](O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000709017114 789113766 /nfs/dbraw/zinc/11/37/66/789113766.db2.gz XTTIVRAIMKLWQT-JKSUJKDBSA-N 2 2 273.380 1.795 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001691730821 1166551585 /nfs/dbraw/zinc/55/15/85/1166551585.db2.gz OGAGBTSLIQWFGW-NFAWXSAZSA-N 2 2 290.411 1.743 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001691730821 1166551593 /nfs/dbraw/zinc/55/15/93/1166551593.db2.gz OGAGBTSLIQWFGW-NFAWXSAZSA-N 2 2 290.411 1.743 10 30 CDEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001691730821 1166551601 /nfs/dbraw/zinc/55/16/01/1166551601.db2.gz OGAGBTSLIQWFGW-NFAWXSAZSA-N 2 2 290.411 1.743 10 30 CDEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001691730821 1166551609 /nfs/dbraw/zinc/55/16/09/1166551609.db2.gz OGAGBTSLIQWFGW-NFAWXSAZSA-N 2 2 290.411 1.743 10 30 CDEELP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001570636950 1167579702 /nfs/dbraw/zinc/57/97/02/1167579702.db2.gz PFRDESQILHBUPJ-NEPJUHHUSA-N 2 2 264.373 1.401 10 30 CDEELP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001566745098 1168406524 /nfs/dbraw/zinc/40/65/24/1168406524.db2.gz GDCYLCUXSGYLRZ-CYBMUJFWSA-N 2 2 276.384 1.309 10 30 CDEELP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001566745098 1168406527 /nfs/dbraw/zinc/40/65/27/1168406527.db2.gz GDCYLCUXSGYLRZ-CYBMUJFWSA-N 2 2 276.384 1.309 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001483651112 912281671 /nfs/dbraw/zinc/28/16/71/912281671.db2.gz LRTZKVIWJBGRTF-KBPBESRZSA-N 2 2 290.411 1.773 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001483651112 912281688 /nfs/dbraw/zinc/28/16/88/912281688.db2.gz LRTZKVIWJBGRTF-KBPBESRZSA-N 2 2 290.411 1.773 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266288653 894164382 /nfs/dbraw/zinc/16/43/82/894164382.db2.gz LDODNFZDGWQWQY-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266288653 894164386 /nfs/dbraw/zinc/16/43/86/894164386.db2.gz LDODNFZDGWQWQY-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266289022 894169285 /nfs/dbraw/zinc/16/92/85/894169285.db2.gz YSFKPANSJJPUAR-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266289022 894169294 /nfs/dbraw/zinc/16/92/94/894169294.db2.gz YSFKPANSJJPUAR-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP CC#CC[N@H+](CCC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001266577534 895420043 /nfs/dbraw/zinc/42/00/43/895420043.db2.gz OIUWRVRSPCJXTH-UHFFFAOYSA-N 2 2 276.384 1.112 10 30 CDEELP CC#CC[N@@H+](CCC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001266577534 895420050 /nfs/dbraw/zinc/42/00/50/895420050.db2.gz OIUWRVRSPCJXTH-UHFFFAOYSA-N 2 2 276.384 1.112 10 30 CDEELP C=CC[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567517306 1168828942 /nfs/dbraw/zinc/82/89/42/1168828942.db2.gz FVLYEXQWEKDFOK-UHFFFAOYSA-N 2 2 258.325 1.411 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001567520613 1168829009 /nfs/dbraw/zinc/82/90/09/1168829009.db2.gz XUIYGOIUBYXJAL-CYBMUJFWSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480913538 896585542 /nfs/dbraw/zinc/58/55/42/896585542.db2.gz OWCFGYBCFAREGV-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480913538 896585550 /nfs/dbraw/zinc/58/55/50/896585550.db2.gz OWCFGYBCFAREGV-ZIAGYGMSSA-N 2 2 290.411 1.538 10 30 CDEELP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001267222205 897200015 /nfs/dbraw/zinc/20/00/15/897200015.db2.gz ILUYRKZKZMSVNJ-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001268194187 901550251 /nfs/dbraw/zinc/55/02/51/901550251.db2.gz GEINSSJNAJAPHE-DOMZBBRYSA-N 2 2 288.395 1.111 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001268384960 901969713 /nfs/dbraw/zinc/96/97/13/901969713.db2.gz SFYXTYRGRQAABX-CYBMUJFWSA-N 2 2 264.373 1.334 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481744455 901999842 /nfs/dbraw/zinc/99/98/42/901999842.db2.gz MKXKABMVNFKKFB-HIFRSBDPSA-N 2 2 290.411 1.697 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481744455 901999850 /nfs/dbraw/zinc/99/98/50/901999850.db2.gz MKXKABMVNFKKFB-HIFRSBDPSA-N 2 2 290.411 1.697 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481744455 901999857 /nfs/dbraw/zinc/99/98/57/901999857.db2.gz MKXKABMVNFKKFB-HIFRSBDPSA-N 2 2 290.411 1.697 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481744455 901999868 /nfs/dbraw/zinc/99/98/68/901999868.db2.gz MKXKABMVNFKKFB-HIFRSBDPSA-N 2 2 290.411 1.697 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268405330 902004413 /nfs/dbraw/zinc/00/44/13/902004413.db2.gz MKGWPLFEXLXXLE-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268405330 902004422 /nfs/dbraw/zinc/00/44/22/902004422.db2.gz MKGWPLFEXLXXLE-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269866830 904169491 /nfs/dbraw/zinc/16/94/91/904169491.db2.gz LCEMFPONIUJLST-UHFFFAOYSA-N 2 2 253.390 1.047 10 30 CDEELP C=C(C)C[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269866830 904169498 /nfs/dbraw/zinc/16/94/98/904169498.db2.gz LCEMFPONIUJLST-UHFFFAOYSA-N 2 2 253.390 1.047 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484338492 915647915 /nfs/dbraw/zinc/64/79/15/915647915.db2.gz KUUGISXSTLNGJN-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484338492 915647921 /nfs/dbraw/zinc/64/79/21/915647921.db2.gz KUUGISXSTLNGJN-KBPBESRZSA-N 2 2 288.395 1.192 10 30 CDEELP CC#CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001484661976 916012109 /nfs/dbraw/zinc/01/21/09/916012109.db2.gz NRZHGDRGYSBIJB-UHFFFAOYSA-N 2 2 288.395 1.005 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485178215 916626808 /nfs/dbraw/zinc/62/68/08/916626808.db2.gz SVCFNDRDUMYQKS-STQMWFEESA-N 2 2 264.373 1.332 10 30 CDEELP C#Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827700008 936604686 /nfs/dbraw/zinc/60/46/86/936604686.db2.gz NWUALWWYTKIBFJ-GOSISDBHSA-N 2 2 284.403 1.699 10 30 CDEELP C#Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827700008 936604688 /nfs/dbraw/zinc/60/46/88/936604688.db2.gz NWUALWWYTKIBFJ-GOSISDBHSA-N 2 2 284.403 1.699 10 30 CDEELP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001276404224 936829353 /nfs/dbraw/zinc/82/93/53/936829353.db2.gz AYYBWTDEBKRGIF-CQSZACIVSA-N 2 2 290.411 1.676 10 30 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CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001502966125 974806374 /nfs/dbraw/zinc/80/63/74/974806374.db2.gz CCKDFKNGRJYQJX-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001377921943 975175129 /nfs/dbraw/zinc/17/51/29/975175129.db2.gz VBBXOVYLYNRNCC-UWVGGRQHSA-N 2 2 284.791 1.496 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001570112308 1170084618 /nfs/dbraw/zinc/08/46/18/1170084618.db2.gz ZNZGWYBNKWIVAE-UHFFFAOYSA-N 2 2 285.391 1.882 10 30 CDEELP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)Cc1[nH]cc[nH+]1 ZINC001570814782 1170287118 /nfs/dbraw/zinc/28/71/18/1170287118.db2.gz UQIURDAAPATNOG-CYBMUJFWSA-N 2 2 276.384 1.240 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC001657105084 1171929066 /nfs/dbraw/zinc/92/90/66/1171929066.db2.gz WHLQVKMXIYXWBL-UHFFFAOYSA-N 2 2 273.380 1.526 10 30 CDEELP N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000592494448 342696820 /nfs/dbraw/zinc/69/68/20/342696820.db2.gz YLTWHTPSAZTLQJ-CJNGLKHVSA-N 2 2 270.380 1.917 10 30 CDEELP N#Cc1cnccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000592494448 342696822 /nfs/dbraw/zinc/69/68/22/342696822.db2.gz YLTWHTPSAZTLQJ-CJNGLKHVSA-N 2 2 270.380 1.917 10 30 CDEELP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCSC1 ZINC000600726752 342245311 /nfs/dbraw/zinc/24/53/11/342245311.db2.gz HBZLEZMBGDGKOF-GXTWGEPZSA-N 2 2 283.441 1.068 10 30 CDEELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729469 342245701 /nfs/dbraw/zinc/24/57/01/342245701.db2.gz HGOOQPZQFZCOGY-KWCYVHTRSA-N 2 2 263.385 1.113 10 30 CDEELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729469 342245702 /nfs/dbraw/zinc/24/57/02/342245702.db2.gz HGOOQPZQFZCOGY-KWCYVHTRSA-N 2 2 263.385 1.113 10 30 CDEELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@@H+]1C1CC1 ZINC000600729918 342245712 /nfs/dbraw/zinc/24/57/12/342245712.db2.gz JPBKSUNXZJUBRW-DYEKYZERSA-N 2 2 263.385 1.256 10 30 CDEELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@H+]1C1CC1 ZINC000600729918 342245713 /nfs/dbraw/zinc/24/57/13/342245713.db2.gz JPBKSUNXZJUBRW-DYEKYZERSA-N 2 2 263.385 1.256 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000594436955 342903141 /nfs/dbraw/zinc/90/31/41/342903141.db2.gz GYLRVHXEXQIRRJ-ZDUSSCGKSA-N 2 2 285.351 1.362 10 30 CDEELP C=C(C)[C@H](CO)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960376 342282341 /nfs/dbraw/zinc/28/23/41/342282341.db2.gz PCTVYGZJBDUGBJ-AWEZNQCLSA-N 2 2 268.401 1.110 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C#N)cc1 ZINC000597990204 343681128 /nfs/dbraw/zinc/68/11/28/343681128.db2.gz RDWZLEHKFWWMDG-UHFFFAOYSA-N 2 2 288.395 1.172 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C#N)cc1 ZINC000597990204 343681129 /nfs/dbraw/zinc/68/11/29/343681129.db2.gz RDWZLEHKFWWMDG-UHFFFAOYSA-N 2 2 288.395 1.172 10 30 CDEELP CN(C)/C=[NH+]/c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC000034565451 356816991 /nfs/dbraw/zinc/81/69/91/356816991.db2.gz JTBOVZHIKRHDDA-SFCPEOOZSA-N 2 2 263.301 1.744 10 30 CDEELP C=CCOCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000368430758 372655985 /nfs/dbraw/zinc/65/59/85/372655985.db2.gz ZACOYDICBKCWDD-UHFFFAOYSA-N 2 2 261.369 1.843 10 30 CDEELP C[NH+](C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1cccs1 ZINC000058159543 375676702 /nfs/dbraw/zinc/67/67/02/375676702.db2.gz RFFOLGYTPFHSQQ-RYUDHWBXSA-N 2 2 296.440 1.434 10 30 CDEELP C#CCC[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001662113449 1172484264 /nfs/dbraw/zinc/48/42/64/1172484264.db2.gz OLGNFNIULPJEQJ-UHFFFAOYSA-N 2 2 288.395 1.383 10 30 CDEELP C#CCC[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001662113449 1172484270 /nfs/dbraw/zinc/48/42/70/1172484270.db2.gz OLGNFNIULPJEQJ-UHFFFAOYSA-N 2 2 288.395 1.383 10 30 CDEELP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C#N)c[nH+]1 ZINC000398983310 377918800 /nfs/dbraw/zinc/91/88/00/377918800.db2.gz GVTBFTCREOVEPR-BETUJISGSA-N 2 2 256.353 1.698 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657353653 414204374 /nfs/dbraw/zinc/20/43/74/414204374.db2.gz TWGDCEFPSSTUOK-UHFFFAOYSA-N 2 2 260.385 1.569 10 30 CDEELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000040672863 174371494 /nfs/dbraw/zinc/37/14/94/174371494.db2.gz JDJMADFQPSMEDY-AWEZNQCLSA-N 2 2 259.353 1.773 10 30 CDEELP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000040672863 174371495 /nfs/dbraw/zinc/37/14/95/174371495.db2.gz JDJMADFQPSMEDY-AWEZNQCLSA-N 2 2 259.353 1.773 10 30 CDEELP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044529885 175194434 /nfs/dbraw/zinc/19/44/34/175194434.db2.gz OQYBWZXCUSTHCA-CYBMUJFWSA-N 2 2 272.352 1.167 10 30 CDEELP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044529885 175194436 /nfs/dbraw/zinc/19/44/36/175194436.db2.gz OQYBWZXCUSTHCA-CYBMUJFWSA-N 2 2 272.352 1.167 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCN1CCC[N@H+](C)CC1 ZINC000045179747 175324247 /nfs/dbraw/zinc/32/42/47/175324247.db2.gz ZKDAQXXSKXQHCJ-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP CC(C)[NH2+][C@](C)(C#N)CCN1CCC[N@@H+](C)CC1 ZINC000045179747 175324248 /nfs/dbraw/zinc/32/42/48/175324248.db2.gz ZKDAQXXSKXQHCJ-AWEZNQCLSA-N 2 2 252.406 1.294 10 30 CDEELP C[NH+](C)C1CC[NH+](CCCC[C@](C)([NH3+])C#N)CC1 ZINC000045311135 175356512 /nfs/dbraw/zinc/35/65/12/175356512.db2.gz NRRWTICRNRMKLD-AWEZNQCLSA-N 3 2 252.406 1.424 10 30 CDEELP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071189117 176064371 /nfs/dbraw/zinc/06/43/71/176064371.db2.gz MMUMPUCHFWTDSA-CQSZACIVSA-N 2 2 286.379 1.380 10 30 CDEELP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071189117 176064372 /nfs/dbraw/zinc/06/43/72/176064372.db2.gz MMUMPUCHFWTDSA-CQSZACIVSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189117 176064373 /nfs/dbraw/zinc/06/43/73/176064373.db2.gz MMUMPUCHFWTDSA-CQSZACIVSA-N 2 2 286.379 1.380 10 30 CDEELP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189117 176064374 /nfs/dbraw/zinc/06/43/74/176064374.db2.gz MMUMPUCHFWTDSA-CQSZACIVSA-N 2 2 286.379 1.380 10 30 CDEELP COc1cc(C[NH2+]CCc2cn(C)c[nH+]2)ccc1C#N ZINC000313274386 260275623 /nfs/dbraw/zinc/27/56/23/260275623.db2.gz UTNNRFKRJJOUQQ-UHFFFAOYSA-N 2 2 270.336 1.633 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001669330514 1173538059 /nfs/dbraw/zinc/53/80/59/1173538059.db2.gz BSZSEOPMOSCBNZ-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001671558410 1173687960 /nfs/dbraw/zinc/68/79/60/1173687960.db2.gz DKMUVDLYSQZHMA-CQSZACIVSA-N 2 2 288.395 1.240 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001673407751 1173852076 /nfs/dbraw/zinc/85/20/76/1173852076.db2.gz XNCYNZIQEDXRAP-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001673407751 1173852080 /nfs/dbraw/zinc/85/20/80/1173852080.db2.gz XNCYNZIQEDXRAP-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267701564 1159571978 /nfs/dbraw/zinc/57/19/78/1159571978.db2.gz UXXMXJLBDSKGDB-CYBMUJFWSA-N 2 2 276.384 1.286 10 30 CDEELP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001482112576 1159982344 /nfs/dbraw/zinc/98/23/44/1159982344.db2.gz VYYCCUUMYUGLJL-CABCVRRESA-N 2 2 290.411 1.445 10 30 CDEELP C#CCOc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000697394390 1160497670 /nfs/dbraw/zinc/49/76/70/1160497670.db2.gz TZKQMXWXIVZOTJ-UHFFFAOYSA-N 2 2 258.365 1.884 10 30 CDEELP C[NH+](C)CCN1CC[NH+]([C@H]2CCCCC[C@H]2C#N)CC1 ZINC000061644272 521767589 /nfs/dbraw/zinc/76/75/89/521767589.db2.gz GXIBOPRIJUEROP-HOTGVXAUSA-N 2 2 278.444 1.638 10 30 CDEELP C[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CC[NH+](C)CC1 ZINC000049608602 523254506 /nfs/dbraw/zinc/25/45/06/523254506.db2.gz FFWAWSUVANZPRK-UHFFFAOYSA-N 3 2 289.398 1.662 10 30 CDEELP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CC[NH+](C)CC1 ZINC000049608602 523254508 /nfs/dbraw/zinc/25/45/08/523254508.db2.gz FFWAWSUVANZPRK-UHFFFAOYSA-N 3 2 289.398 1.662 10 30 CDEELP C=C(C)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915823 526500966 /nfs/dbraw/zinc/50/09/66/526500966.db2.gz XITGLZPHMFVFTJ-UHFFFAOYSA-N 2 2 262.401 1.855 10 30 CDEELP C=C(C)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915823 526500970 /nfs/dbraw/zinc/50/09/70/526500970.db2.gz XITGLZPHMFVFTJ-UHFFFAOYSA-N 2 2 262.401 1.855 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000764460651 575910571 /nfs/dbraw/zinc/91/05/71/575910571.db2.gz NJTUIYGFQGXFEG-UHFFFAOYSA-N 2 2 262.357 1.234 10 30 CDEELP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939541541 613351174 /nfs/dbraw/zinc/35/11/74/613351174.db2.gz OJCZNPNKACDHQO-STQMWFEESA-N 2 2 290.411 1.700 10 30 CDEELP C=C(CC[NH+](C)C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900447718 623067154 /nfs/dbraw/zinc/06/71/54/623067154.db2.gz CNVDVINAWAKPLR-UHFFFAOYSA-N 2 2 276.384 1.555 10 30 CDEELP C#CC[NH2+]CCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001698696189 1159022092 /nfs/dbraw/zinc/02/20/92/1159022092.db2.gz YDQSNWPOCGPWQK-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C#CC[NH2+]CCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001698696189 1159022102 /nfs/dbraw/zinc/02/21/02/1159022102.db2.gz YDQSNWPOCGPWQK-UHFFFAOYSA-N 2 2 288.395 1.194 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483934780 1161242819 /nfs/dbraw/zinc/24/28/19/1161242819.db2.gz LOFQYOYHIINZOO-CYBMUJFWSA-N 2 2 284.363 1.943 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001274818142 1166649134 /nfs/dbraw/zinc/64/91/34/1166649134.db2.gz HYDZBXLQVYZLBW-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001565852380 1168186892 /nfs/dbraw/zinc/18/68/92/1168186892.db2.gz JCJQHAQPBVDPGH-BETUJISGSA-N 2 2 276.384 1.403 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001565873834 1168193391 /nfs/dbraw/zinc/19/33/91/1168193391.db2.gz BZOSNMANDDUZCN-KKUMJFAQSA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001567131253 1168588725 /nfs/dbraw/zinc/58/87/25/1168588725.db2.gz OSSHZWZHWSACIO-KGLIPLIRSA-N 2 2 288.395 1.070 10 30 CDEELP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001567147593 1168596947 /nfs/dbraw/zinc/59/69/47/1168596947.db2.gz KXXDEQLNKKAZLS-CYBMUJFWSA-N 2 2 288.395 1.149 10 30 CDEELP C=CCC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001567665620 1168910441 /nfs/dbraw/zinc/91/04/41/1168910441.db2.gz HWNIZWHOKPFTQR-INIZCTEOSA-N 2 2 298.390 1.906 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001569527552 1169910809 /nfs/dbraw/zinc/91/08/09/1169910809.db2.gz QFYOQMWUTKCXRH-JSGCOSHPSA-N 2 2 288.395 1.253 10 30 CDEELP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001571612566 1170495129 /nfs/dbraw/zinc/49/51/29/1170495129.db2.gz OSFZJFKJQIDKJZ-ZIAGYGMSSA-N 2 2 290.411 1.868 10 30 CDEELP C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001571612566 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C#CC[NH2+]C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@@H]1C ZINC001269677303 904031978 /nfs/dbraw/zinc/03/19/78/904031978.db2.gz PSRFSIMUWJGTSL-BBRMVZONSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001482545441 906988020 /nfs/dbraw/zinc/98/80/20/906988020.db2.gz QXBTVOPFJHFVFT-ZDUSSCGKSA-N 2 2 264.373 1.190 10 30 CDEELP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482844946 908422940 /nfs/dbraw/zinc/42/29/40/908422940.db2.gz IVQBZSWAAOUEGU-CHWSQXEVSA-N 2 2 276.384 1.116 10 30 CDEELP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001485266680 916709945 /nfs/dbraw/zinc/70/99/45/916709945.db2.gz WAXMEYSZMCUGEB-UHFFFAOYSA-N 2 2 290.411 1.060 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001273121167 922106624 /nfs/dbraw/zinc/10/66/24/922106624.db2.gz CTPDLWFRUIXTJI-UHFFFAOYSA-N 2 2 284.363 1.762 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001491034718 936844916 /nfs/dbraw/zinc/84/49/16/936844916.db2.gz RNCKGNGOCALDHI-BETUJISGSA-N 2 2 284.363 1.761 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001568465855 1169301569 /nfs/dbraw/zinc/30/15/69/1169301569.db2.gz LGBAMVALTNOVJQ-HIFRSBDPSA-N 2 2 292.427 1.895 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001568465855 1169301577 /nfs/dbraw/zinc/30/15/77/1169301577.db2.gz LGBAMVALTNOVJQ-HIFRSBDPSA-N 2 2 292.427 1.895 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001275793432 932040277 /nfs/dbraw/zinc/04/02/77/932040277.db2.gz OXMBISVZCIMARY-DZGCQCFKSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001280523721 942457105 /nfs/dbraw/zinc/45/71/05/942457105.db2.gz VGUFFCQJEJILED-CYBMUJFWSA-N 2 2 290.411 1.793 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001280523721 942457107 /nfs/dbraw/zinc/45/71/07/942457107.db2.gz VGUFFCQJEJILED-CYBMUJFWSA-N 2 2 290.411 1.793 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001282177706 942673571 /nfs/dbraw/zinc/67/35/71/942673571.db2.gz YQOLKNVHJTWHDO-VXGBXAGGSA-N 2 2 264.373 1.022 10 30 CDEELP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001263957866 944043980 /nfs/dbraw/zinc/04/39/80/944043980.db2.gz JSVPCOFGSJNOEP-KGLIPLIRSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265312307 944335918 /nfs/dbraw/zinc/33/59/18/944335918.db2.gz LKPWEOLOCARNQY-IAGOWNOFSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265312307 944335922 /nfs/dbraw/zinc/33/59/22/944335922.db2.gz LKPWEOLOCARNQY-IAGOWNOFSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001265312307 944335928 /nfs/dbraw/zinc/33/59/28/944335928.db2.gz LKPWEOLOCARNQY-IAGOWNOFSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001265312307 944335930 /nfs/dbraw/zinc/33/59/30/944335930.db2.gz LKPWEOLOCARNQY-IAGOWNOFSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265312309 944339552 /nfs/dbraw/zinc/33/95/52/944339552.db2.gz LKPWEOLOCARNQY-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265312309 944339561 /nfs/dbraw/zinc/33/95/61/944339561.db2.gz LKPWEOLOCARNQY-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001265312309 944339574 /nfs/dbraw/zinc/33/95/74/944339574.db2.gz LKPWEOLOCARNQY-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001265312309 944339584 /nfs/dbraw/zinc/33/95/84/944339584.db2.gz LKPWEOLOCARNQY-SJORKVTESA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001480102281 971575841 /nfs/dbraw/zinc/57/58/41/971575841.db2.gz CKPJMXBKRHAHBK-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001480102281 971575847 /nfs/dbraw/zinc/57/58/47/971575847.db2.gz CKPJMXBKRHAHBK-GASCZTMLSA-N 2 2 277.412 1.027 10 30 CDEELP C=C(Cl)C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001493644902 972093371 /nfs/dbraw/zinc/09/33/71/972093371.db2.gz QIXSDYFSYNAXMC-UHFFFAOYSA-N 2 2 270.764 1.074 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001491895198 955497915 /nfs/dbraw/zinc/49/79/15/955497915.db2.gz FENDARCSYJYGHU-LSDHHAIUSA-N 2 2 290.411 1.866 10 30 CDEELP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001330836350 956657037 /nfs/dbraw/zinc/65/70/37/956657037.db2.gz OGNPGZUOZWNZFR-MGPQQGTHSA-N 2 2 288.395 1.411 10 30 CDEELP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001330836350 956657055 /nfs/dbraw/zinc/65/70/55/956657055.db2.gz OGNPGZUOZWNZFR-MGPQQGTHSA-N 2 2 288.395 1.411 10 30 CDEELP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001331490146 957097654 /nfs/dbraw/zinc/09/76/54/957097654.db2.gz OZKYDUSILFMOTP-CHWSQXEVSA-N 2 2 276.384 1.068 10 30 CDEELP C=C(C)C[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001317559107 957554989 /nfs/dbraw/zinc/55/49/89/957554989.db2.gz ROPBJPGBKHICMV-AWEZNQCLSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)C[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001317559107 957554994 /nfs/dbraw/zinc/55/49/94/957554994.db2.gz ROPBJPGBKHICMV-AWEZNQCLSA-N 2 2 290.411 1.991 10 30 CDEELP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317845923 957695599 /nfs/dbraw/zinc/69/55/99/957695599.db2.gz VQYPFEIARZADPY-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317845923 957695605 /nfs/dbraw/zinc/69/56/05/957695605.db2.gz VQYPFEIARZADPY-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001319923154 958791418 /nfs/dbraw/zinc/79/14/18/958791418.db2.gz YGMBNGYIAXRFCC-CQSZACIVSA-N 2 2 290.411 1.290 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320438827 959174569 /nfs/dbraw/zinc/17/45/69/959174569.db2.gz HUYSRRSVXSGFJH-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320438827 959174576 /nfs/dbraw/zinc/17/45/76/959174576.db2.gz HUYSRRSVXSGFJH-LBPRGKRZSA-N 2 2 264.373 1.403 10 30 CDEELP C=CC1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001335621831 959938252 /nfs/dbraw/zinc/93/82/52/959938252.db2.gz FYBJQOOCWQDPDK-UHFFFAOYSA-N 2 2 280.416 1.017 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323276154 960603855 /nfs/dbraw/zinc/60/38/55/960603855.db2.gz DRYPSVINJQGFNL-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323276154 960603865 /nfs/dbraw/zinc/60/38/65/960603865.db2.gz DRYPSVINJQGFNL-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C=CCCC[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001569651675 1169952724 /nfs/dbraw/zinc/95/27/24/1169952724.db2.gz UQYJCBJDGYIOOD-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001569651675 1169952729 /nfs/dbraw/zinc/95/27/29/1169952729.db2.gz UQYJCBJDGYIOOD-INIZCTEOSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001498057501 973650980 /nfs/dbraw/zinc/65/09/80/973650980.db2.gz UXVOIDWVFJPTTI-KBPBESRZSA-N 2 2 278.400 1.751 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001505847191 975001128 /nfs/dbraw/zinc/00/11/28/975001128.db2.gz FLZCNXONTFCNQD-UHFFFAOYSA-N 2 2 292.427 1.613 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001391912885 977147882 /nfs/dbraw/zinc/14/78/82/977147882.db2.gz GEJLUTKAKCIEML-YUSALJHKSA-N 2 2 296.802 1.608 10 30 CDEELP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001391912885 977147887 /nfs/dbraw/zinc/14/78/87/977147887.db2.gz GEJLUTKAKCIEML-YUSALJHKSA-N 2 2 296.802 1.608 10 30 CDEELP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001676238906 1174195216 /nfs/dbraw/zinc/19/52/16/1174195216.db2.gz MIMXMSMARBWLEN-HNNXBMFYSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001570543418 1170186130 /nfs/dbraw/zinc/18/61/30/1170186130.db2.gz HRXGMGAAVMPMEM-ZDUSSCGKSA-N 2 2 276.384 1.451 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001570543418 1170186135 /nfs/dbraw/zinc/18/61/35/1170186135.db2.gz HRXGMGAAVMPMEM-ZDUSSCGKSA-N 2 2 276.384 1.451 10 30 CDEELP CC#CC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001571662802 1170513797 /nfs/dbraw/zinc/51/37/97/1170513797.db2.gz RYHSBWDGTXYCQQ-WLYUNCDWSA-N 2 2 288.395 1.437 10 30 CDEELP N#Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864640 343175432 /nfs/dbraw/zinc/17/54/32/343175432.db2.gz VAEIJOUGBPPVIQ-KRWDZBQOSA-N 2 2 285.391 1.589 10 30 CDEELP N#Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864640 343175433 /nfs/dbraw/zinc/17/54/33/343175433.db2.gz VAEIJOUGBPPVIQ-KRWDZBQOSA-N 2 2 285.391 1.589 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)CC#N ZINC000596624042 343359655 /nfs/dbraw/zinc/35/96/55/343359655.db2.gz LWVVXKFAZFXVOL-UHFFFAOYSA-N 2 2 297.447 1.109 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)CC#N ZINC000596624042 343359656 /nfs/dbraw/zinc/35/96/56/343359656.db2.gz LWVVXKFAZFXVOL-UHFFFAOYSA-N 2 2 297.447 1.109 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000598726772 343886467 /nfs/dbraw/zinc/88/64/67/343886467.db2.gz BGHRPTMSGXVVDJ-QWRGUYRKSA-N 2 2 262.357 1.157 10 30 CDEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000598726772 343886468 /nfs/dbraw/zinc/88/64/68/343886468.db2.gz BGHRPTMSGXVVDJ-QWRGUYRKSA-N 2 2 262.357 1.157 10 30 CDEELP N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964628 344297684 /nfs/dbraw/zinc/29/76/84/344297684.db2.gz JQJXBNNGNQLUOO-BZSNNMDCSA-N 2 2 299.418 1.905 10 30 CDEELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528427516 356677291 /nfs/dbraw/zinc/67/72/91/356677291.db2.gz OXFOJIODWKFKIE-OLZOCXBDSA-N 2 2 274.368 1.264 10 30 CDEELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528427516 356677293 /nfs/dbraw/zinc/67/72/93/356677293.db2.gz OXFOJIODWKFKIE-OLZOCXBDSA-N 2 2 274.368 1.264 10 30 CDEELP CC#CC[N@H+](CC)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001660536933 1172231973 /nfs/dbraw/zinc/23/19/73/1172231973.db2.gz OBAWEGLTCYYXDT-UHFFFAOYSA-N 2 2 276.384 1.194 10 30 CDEELP CC#CC[N@@H+](CC)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001660536933 1172231980 /nfs/dbraw/zinc/23/19/80/1172231980.db2.gz OBAWEGLTCYYXDT-UHFFFAOYSA-N 2 2 276.384 1.194 10 30 CDEELP CC#CC[N@H+](CC)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001660536933 1172231988 /nfs/dbraw/zinc/23/19/88/1172231988.db2.gz OBAWEGLTCYYXDT-UHFFFAOYSA-N 2 2 276.384 1.194 10 30 CDEELP CC#CC[N@@H+](CC)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001660536933 1172231994 /nfs/dbraw/zinc/23/19/94/1172231994.db2.gz 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1172919845 /nfs/dbraw/zinc/91/98/45/1172919845.db2.gz YBIYFGIMBNJPND-HNNXBMFYSA-N 2 2 288.395 1.077 10 30 CDEELP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001664859857 1172919846 /nfs/dbraw/zinc/91/98/46/1172919846.db2.gz YBIYFGIMBNJPND-HNNXBMFYSA-N 2 2 288.395 1.077 10 30 CDEELP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665664857 1173032542 /nfs/dbraw/zinc/03/25/42/1173032542.db2.gz UMFJNKSTEICSDP-KBPBESRZSA-N 2 2 276.384 1.553 10 30 CDEELP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001665664857 1173032546 /nfs/dbraw/zinc/03/25/46/1173032546.db2.gz UMFJNKSTEICSDP-KBPBESRZSA-N 2 2 276.384 1.553 10 30 CDEELP C=CC[N@H+](CCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662252610 414587316 /nfs/dbraw/zinc/58/73/16/414587316.db2.gz BULSVQNKZNXLMG-INIZCTEOSA-N 2 2 260.381 1.706 10 30 CDEELP C=CC[N@@H+](CCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662252610 414587319 /nfs/dbraw/zinc/58/73/19/414587319.db2.gz BULSVQNKZNXLMG-INIZCTEOSA-N 2 2 260.381 1.706 10 30 CDEELP 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CDEELP C#CC[N@H+](CCC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731870248 1182638985 /nfs/dbraw/zinc/63/89/85/1182638985.db2.gz VLIWMAFAPBKKGW-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C#CC[N@@H+](CCC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731870248 1182638988 /nfs/dbraw/zinc/63/89/88/1182638988.db2.gz VLIWMAFAPBKKGW-CQSZACIVSA-N 2 2 276.384 1.296 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001732458037 1182976734 /nfs/dbraw/zinc/97/67/34/1182976734.db2.gz KOAWPRXWHVJYKG-AWEZNQCLSA-N 2 2 278.400 1.676 10 30 CDEELP C#CCC[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001733954942 1183583914 /nfs/dbraw/zinc/58/39/14/1183583914.db2.gz IAKIMSPZDQSODU-NFOMZHRRSA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001734171220 1183682024 /nfs/dbraw/zinc/68/20/24/1183682024.db2.gz WKKMNNGHQSPCIR-CYUUQNCZSA-N 2 2 288.395 1.068 10 30 CDEELP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001734171220 1183682027 /nfs/dbraw/zinc/68/20/27/1183682027.db2.gz WKKMNNGHQSPCIR-CYUUQNCZSA-N 2 2 288.395 1.068 10 30 CDEELP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001734171220 1183682029 /nfs/dbraw/zinc/68/20/29/1183682029.db2.gz WKKMNNGHQSPCIR-CYUUQNCZSA-N 2 2 288.395 1.068 10 30 CDEELP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001734171220 1183682032 /nfs/dbraw/zinc/68/20/32/1183682032.db2.gz WKKMNNGHQSPCIR-CYUUQNCZSA-N 2 2 288.395 1.068 10 30 CDEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001734637624 1183855701 /nfs/dbraw/zinc/85/57/01/1183855701.db2.gz ZNLKYVBPYJJRHR-UHFFFAOYSA-N 2 2 299.846 1.827 10 30 CDEELP C=C(Cl)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001734637624 1183855697 /nfs/dbraw/zinc/85/56/97/1183855697.db2.gz ZNLKYVBPYJJRHR-UHFFFAOYSA-N 2 2 299.846 1.827 10 30 CDEELP C=C(Cl)C[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001734637624 1183855700 /nfs/dbraw/zinc/85/57/00/1183855700.db2.gz ZNLKYVBPYJJRHR-UHFFFAOYSA-N 2 2 299.846 1.827 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742570 797323972 /nfs/dbraw/zinc/32/39/72/797323972.db2.gz GIYXGFFOKAYVMJ-YQQAZPJKSA-N 2 2 293.455 1.683 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742570 797323982 /nfs/dbraw/zinc/32/39/82/797323982.db2.gz GIYXGFFOKAYVMJ-YQQAZPJKSA-N 2 2 293.455 1.683 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933742570 797323991 /nfs/dbraw/zinc/32/39/91/797323991.db2.gz GIYXGFFOKAYVMJ-YQQAZPJKSA-N 2 2 293.455 1.683 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933742570 797324001 /nfs/dbraw/zinc/32/40/01/797324001.db2.gz GIYXGFFOKAYVMJ-YQQAZPJKSA-N 2 2 293.455 1.683 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878060311 797331013 /nfs/dbraw/zinc/33/10/13/797331013.db2.gz UKDWRIGPVPBUEQ-STQMWFEESA-N 2 2 263.341 1.638 10 30 CDEELP C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878060311 797331022 /nfs/dbraw/zinc/33/10/22/797331022.db2.gz UKDWRIGPVPBUEQ-STQMWFEESA-N 2 2 263.341 1.638 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282697 797861827 /nfs/dbraw/zinc/86/18/27/797861827.db2.gz ZAYIQIUFCCLNGK-MGPQQGTHSA-N 2 2 277.368 1.884 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282697 797861828 /nfs/dbraw/zinc/86/18/28/797861828.db2.gz ZAYIQIUFCCLNGK-MGPQQGTHSA-N 2 2 277.368 1.884 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001691745457 1166994595 /nfs/dbraw/zinc/99/45/95/1166994595.db2.gz IRDSRRZCJBJBTG-MELADBBJSA-N 2 2 290.411 1.649 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001691745457 1166994598 /nfs/dbraw/zinc/99/45/98/1166994598.db2.gz IRDSRRZCJBJBTG-MELADBBJSA-N 2 2 290.411 1.649 10 30 CDEELP C=C(Cl)C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317599742 1167460334 /nfs/dbraw/zinc/46/03/34/1167460334.db2.gz FVVXWBZTEKHQPN-UHFFFAOYSA-N 2 2 292.770 1.977 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001671232630 1168392838 /nfs/dbraw/zinc/39/28/38/1168392838.db2.gz RVMPNWOQUOINCQ-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001671232630 1168392842 /nfs/dbraw/zinc/39/28/42/1168392842.db2.gz RVMPNWOQUOINCQ-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567177154 1168606880 /nfs/dbraw/zinc/60/68/80/1168606880.db2.gz SKRRMQIAYCFUKC-KBPBESRZSA-N 2 2 288.395 1.301 10 30 CDEELP C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001266431827 894844247 /nfs/dbraw/zinc/84/42/47/894844247.db2.gz SJXIKYCRRSHGNI-AWEZNQCLSA-N 2 2 276.384 1.403 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001496244791 898508277 /nfs/dbraw/zinc/50/82/77/898508277.db2.gz RJNJQTFHMNUDDB-CQSZACIVSA-N 2 2 276.384 1.123 10 30 CDEELP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001272651339 914355682 /nfs/dbraw/zinc/35/56/82/914355682.db2.gz DSUPFGIPFSFDSW-OAHLLOKOSA-N 2 2 288.395 1.125 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267991289 900211029 /nfs/dbraw/zinc/21/10/29/900211029.db2.gz LIZIWPDDNJBKPZ-YNEHKIRRSA-N 2 2 276.384 1.431 10 30 CDEELP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267991289 900211042 /nfs/dbraw/zinc/21/10/42/900211042.db2.gz LIZIWPDDNJBKPZ-YNEHKIRRSA-N 2 2 276.384 1.431 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001268137760 901384770 /nfs/dbraw/zinc/38/47/70/901384770.db2.gz LCWDHOLTDABXRS-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001282195202 901651702 /nfs/dbraw/zinc/65/17/02/901651702.db2.gz YCZGXRFXRRELEQ-QWRGUYRKSA-N 2 2 250.346 1.011 10 30 CDEELP C#CCC[NH2+]C[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001482121022 902663208 /nfs/dbraw/zinc/66/32/08/902663208.db2.gz JIBMVOMPDCFAOI-ZDUSSCGKSA-N 2 2 284.363 1.313 10 30 CDEELP C=CC[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001268917383 903243882 /nfs/dbraw/zinc/24/38/82/903243882.db2.gz RCRKPDGFUMIKMN-INIZCTEOSA-N 2 2 287.407 1.523 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001270458267 904652155 /nfs/dbraw/zinc/65/21/55/904652155.db2.gz MARRVZUHXKHCRQ-AWEZNQCLSA-N 2 2 276.384 1.334 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001484653799 915996381 /nfs/dbraw/zinc/99/63/81/915996381.db2.gz SOJBRXJPCMRYRJ-ZDUSSCGKSA-N 2 2 276.384 1.649 10 30 CDEELP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001485161858 916616967 /nfs/dbraw/zinc/61/69/67/916616967.db2.gz HILNIDGHIVTZAI-CHWSQXEVSA-N 2 2 291.395 1.692 10 30 CDEELP C#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001568346380 1169257135 /nfs/dbraw/zinc/25/71/35/1169257135.db2.gz GITGRJCQQYEADK-OAHLLOKOSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001273187595 923930891 /nfs/dbraw/zinc/93/08/91/923930891.db2.gz XFTCHVJOWBJEPV-UHFFFAOYSA-N 2 2 262.357 1.075 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001494779469 926782085 /nfs/dbraw/zinc/78/20/85/926782085.db2.gz ZKQBMUYNWSFHIG-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001494779469 926782094 /nfs/dbraw/zinc/78/20/94/926782094.db2.gz ZKQBMUYNWSFHIG-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494779469 926782103 /nfs/dbraw/zinc/78/21/03/926782103.db2.gz ZKQBMUYNWSFHIG-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001494779469 926782108 /nfs/dbraw/zinc/78/21/08/926782108.db2.gz ZKQBMUYNWSFHIG-QWHCGFSZSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568487590 1169319484 /nfs/dbraw/zinc/31/94/84/1169319484.db2.gz ILPNTXKJWALPHR-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568487590 1169319492 /nfs/dbraw/zinc/31/94/92/1169319492.db2.gz ILPNTXKJWALPHR-CQSZACIVSA-N 2 2 290.411 1.412 10 30 CDEELP C#CCC[N@@H+](C)CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568486927 1169321036 /nfs/dbraw/zinc/32/10/36/1169321036.db2.gz LBPIDGSRTVSTJH-UHFFFAOYSA-N 2 2 290.411 1.340 10 30 CDEELP C#CCC[N@H+](C)CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568486927 1169321048 /nfs/dbraw/zinc/32/10/48/1169321048.db2.gz LBPIDGSRTVSTJH-UHFFFAOYSA-N 2 2 290.411 1.340 10 30 CDEELP COCCN(C)c1ccc(C=[NH+]Nc2cc[nH+]cc2C)cn1 ZINC000863158394 929511339 /nfs/dbraw/zinc/51/13/39/929511339.db2.gz ZYQHWPPZZHDLGK-UHFFFAOYSA-N 2 2 299.378 1.736 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001274985784 931625507 /nfs/dbraw/zinc/62/55/07/931625507.db2.gz FGNQOZVWQSILDY-GFCCVEGCSA-N 2 2 264.373 1.023 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275031669 931638085 /nfs/dbraw/zinc/63/80/85/931638085.db2.gz PHPJMEPVKMJZTQ-GJZGRUSLSA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275434058 931789200 /nfs/dbraw/zinc/78/92/00/931789200.db2.gz RAPPAPUQKOBXBG-WDEREUQCSA-N 2 2 272.352 1.845 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275434141 931789728 /nfs/dbraw/zinc/78/97/28/931789728.db2.gz RLFOMQBXQXVKGO-VXGBXAGGSA-N 2 2 284.363 1.683 10 30 CDEELP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276086047 932505637 /nfs/dbraw/zinc/50/56/37/932505637.db2.gz ZWZAYIOVNYJCSB-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265484837 944406136 /nfs/dbraw/zinc/40/61/36/944406136.db2.gz PRGLMOKMTAOHLQ-HDJSIYSDSA-N 2 2 290.411 1.740 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001278308681 945692390 /nfs/dbraw/zinc/69/23/90/945692390.db2.gz PEPGOEPNHYGTEY-CHWSQXEVSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001479276099 971284536 /nfs/dbraw/zinc/28/45/36/971284536.db2.gz UQJSOFJNARLGBM-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001479276099 971284544 /nfs/dbraw/zinc/28/45/44/971284544.db2.gz UQJSOFJNARLGBM-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001328253220 955243329 /nfs/dbraw/zinc/24/33/29/955243329.db2.gz ADXVMGYJHQGTON-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001328253220 955243336 /nfs/dbraw/zinc/24/33/36/955243336.db2.gz ADXVMGYJHQGTON-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001328253220 955243343 /nfs/dbraw/zinc/24/33/43/955243343.db2.gz ADXVMGYJHQGTON-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001328253220 955243350 /nfs/dbraw/zinc/24/33/50/955243350.db2.gz ADXVMGYJHQGTON-KGLIPLIRSA-N 2 2 290.411 1.888 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001425015370 957445082 /nfs/dbraw/zinc/44/50/82/957445082.db2.gz WDBCYFDTVHHQRW-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001425015370 957445086 /nfs/dbraw/zinc/44/50/86/957445086.db2.gz WDBCYFDTVHHQRW-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425015370 957445087 /nfs/dbraw/zinc/44/50/87/957445087.db2.gz WDBCYFDTVHHQRW-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425015370 957445090 /nfs/dbraw/zinc/44/50/90/957445090.db2.gz WDBCYFDTVHHQRW-YPMHNXCESA-N 2 2 287.835 1.517 10 30 CDEELP C#CCC[NH2+][C@@H](CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001318549018 958166364 /nfs/dbraw/zinc/16/63/64/958166364.db2.gz SBYLJLHRTANXLD-ZDUSSCGKSA-N 2 2 284.363 1.456 10 30 CDEELP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001344461223 964317804 /nfs/dbraw/zinc/31/78/04/964317804.db2.gz HKKJASFTOVCFAW-CVEARBPZSA-N 2 2 287.407 1.973 10 30 CDEELP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001344461223 964317813 /nfs/dbraw/zinc/31/78/13/964317813.db2.gz HKKJASFTOVCFAW-CVEARBPZSA-N 2 2 287.407 1.973 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001569521176 1169909185 /nfs/dbraw/zinc/90/91/85/1169909185.db2.gz GAZOQDYXNLUJOI-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650045 969529553 /nfs/dbraw/zinc/52/95/53/969529553.db2.gz GDMRQNOKWYAJBB-IXDOHACOSA-N 2 2 285.391 1.618 10 30 CDEELP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650045 969529559 /nfs/dbraw/zinc/52/95/59/969529559.db2.gz GDMRQNOKWYAJBB-IXDOHACOSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650045 969529564 /nfs/dbraw/zinc/52/95/64/969529564.db2.gz GDMRQNOKWYAJBB-IXDOHACOSA-N 2 2 285.391 1.618 10 30 CDEELP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(C#N)c3)CC[C@@H]21 ZINC001460650045 969529572 /nfs/dbraw/zinc/52/95/72/969529572.db2.gz GDMRQNOKWYAJBB-IXDOHACOSA-N 2 2 285.391 1.618 10 30 CDEELP C=C(CC(C)C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001521731936 970345851 /nfs/dbraw/zinc/34/58/51/970345851.db2.gz FPOVWXTZRNGGSQ-UHFFFAOYSA-N 2 2 269.433 1.588 10 30 CDEELP C=C(CC(C)C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001521731936 970345858 /nfs/dbraw/zinc/34/58/58/970345858.db2.gz FPOVWXTZRNGGSQ-UHFFFAOYSA-N 2 2 269.433 1.588 10 30 CDEELP C#CCC[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001495749498 972619720 /nfs/dbraw/zinc/61/97/20/972619720.db2.gz HQCOUXVWPOZBDK-KBPBESRZSA-N 2 2 276.384 1.199 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001496492819 972941789 /nfs/dbraw/zinc/94/17/89/972941789.db2.gz ZQUOZBPOUWFLNP-UONOGXRCSA-N 2 2 276.384 1.286 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H](F)CC ZINC001496717804 973064913 /nfs/dbraw/zinc/06/49/13/973064913.db2.gz CXAHGYOJLOWXDO-CABCVRRESA-N 2 2 297.418 1.222 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H](F)CC ZINC001496717804 973064929 /nfs/dbraw/zinc/06/49/29/973064929.db2.gz CXAHGYOJLOWXDO-CABCVRRESA-N 2 2 297.418 1.222 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H](F)CC ZINC001496717804 973064940 /nfs/dbraw/zinc/06/49/40/973064940.db2.gz CXAHGYOJLOWXDO-CABCVRRESA-N 2 2 297.418 1.222 10 30 CDEELP C#CC[NH2+]CCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001497423212 973342680 /nfs/dbraw/zinc/34/26/80/973342680.db2.gz JQKDHXQPIQOOEZ-UHFFFAOYSA-N 2 2 270.336 1.019 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569687621 1169967328 /nfs/dbraw/zinc/96/73/28/1169967328.db2.gz YFSMJELDWTVVNG-CZUORRHYSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569687621 1169967332 /nfs/dbraw/zinc/96/73/32/1169967332.db2.gz YFSMJELDWTVVNG-CZUORRHYSA-N 2 2 290.411 1.603 10 30 CDEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001498908170 974101630 /nfs/dbraw/zinc/10/16/30/974101630.db2.gz WGKDVVGGVITNEB-CABCVRRESA-N 2 2 288.395 1.123 10 30 CDEELP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001376763961 974760853 /nfs/dbraw/zinc/76/08/53/974760853.db2.gz RVJJQHQPUVUKEK-RYUDHWBXSA-N 2 2 296.802 1.292 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001505406945 974862977 /nfs/dbraw/zinc/86/29/77/974862977.db2.gz BSYPZVHPGHPYIR-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661359 974953486 /nfs/dbraw/zinc/95/34/86/974953486.db2.gz UJANSJSYFUTGMG-KGLIPLIRSA-N 2 2 292.427 1.802 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001403309974 976874452 /nfs/dbraw/zinc/87/44/52/976874452.db2.gz GRQOTTTUMJBNQZ-GFCCVEGCSA-N 2 2 296.802 1.381 10 30 CDEELP C=CCC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001571616991 1170496989 /nfs/dbraw/zinc/49/69/89/1170496989.db2.gz RKKQJTCGQOTMIZ-UHFFFAOYSA-N 2 2 278.400 1.628 10 30 CDEELP C=CCC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001571616991 1170496992 /nfs/dbraw/zinc/49/69/92/1170496992.db2.gz RKKQJTCGQOTMIZ-UHFFFAOYSA-N 2 2 278.400 1.628 10 30 CDEELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191692 342524352 /nfs/dbraw/zinc/52/43/52/342524352.db2.gz NYOWEOSNRZTTEO-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191692 342524353 /nfs/dbraw/zinc/52/43/53/342524353.db2.gz NYOWEOSNRZTTEO-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191692 342524354 /nfs/dbraw/zinc/52/43/54/342524354.db2.gz NYOWEOSNRZTTEO-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000590191692 342524355 /nfs/dbraw/zinc/52/43/55/342524355.db2.gz NYOWEOSNRZTTEO-MRXNPFEDSA-N 2 2 270.380 1.871 10 30 CDEELP COc1cc[nH+]cc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437096 342898118 /nfs/dbraw/zinc/89/81/18/342898118.db2.gz HXYHDFONEWNSAZ-JTQLQIEISA-N 2 2 262.313 1.440 10 30 CDEELP N#CCCCC[C@@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000594465073 342904855 /nfs/dbraw/zinc/90/48/55/342904855.db2.gz URTLXGOUZSZDHI-GFCCVEGCSA-N 2 2 275.356 1.021 10 30 CDEELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439962 342906991 /nfs/dbraw/zinc/90/69/91/342906991.db2.gz WQVXKIIIINUPRT-ZDUSSCGKSA-N 2 2 291.399 1.567 10 30 CDEELP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600744467 342247153 /nfs/dbraw/zinc/24/71/53/342247153.db2.gz CJWUXAXTWWTXKV-STQMWFEESA-N 2 2 251.374 1.115 10 30 CDEELP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600744467 342247154 /nfs/dbraw/zinc/24/71/54/342247154.db2.gz CJWUXAXTWWTXKV-STQMWFEESA-N 2 2 251.374 1.115 10 30 CDEELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(CC#N)C3)c2cc1C ZINC000594716131 342947100 /nfs/dbraw/zinc/94/71/00/342947100.db2.gz JTJRAGWSQYPWJQ-OAHLLOKOSA-N 2 2 298.390 1.860 10 30 CDEELP N#CCc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000563153631 359132889 /nfs/dbraw/zinc/13/28/89/359132889.db2.gz CMFSJNBGEJTCME-IRXDYDNUSA-N 2 2 285.391 1.609 10 30 CDEELP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1C ZINC000581943882 364052455 /nfs/dbraw/zinc/05/24/55/364052455.db2.gz DVAMDHRCKNBLOL-WFASDCNBSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1C ZINC000581943882 364052459 /nfs/dbraw/zinc/05/24/59/364052459.db2.gz DVAMDHRCKNBLOL-WFASDCNBSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943882 364052465 /nfs/dbraw/zinc/05/24/65/364052465.db2.gz DVAMDHRCKNBLOL-WFASDCNBSA-N 2 2 298.394 1.515 10 30 CDEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1C ZINC000581943882 364052473 /nfs/dbraw/zinc/05/24/73/364052473.db2.gz DVAMDHRCKNBLOL-WFASDCNBSA-N 2 2 298.394 1.515 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)nn1 ZINC000655939707 412954833 /nfs/dbraw/zinc/95/48/33/412954833.db2.gz UAQNCCHWCHOESN-OCCSQVGLSA-N 2 2 263.389 1.413 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)nn1 ZINC000655939707 412954838 /nfs/dbraw/zinc/95/48/38/412954838.db2.gz UAQNCCHWCHOESN-OCCSQVGLSA-N 2 2 263.389 1.413 10 30 CDEELP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043427226 175040965 /nfs/dbraw/zinc/04/09/65/175040965.db2.gz UDSRZNWZDKBWJT-IRXDYDNUSA-N 2 2 288.366 1.889 10 30 CDEELP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043427226 175040966 /nfs/dbraw/zinc/04/09/66/175040966.db2.gz UDSRZNWZDKBWJT-IRXDYDNUSA-N 2 2 288.366 1.889 10 30 CDEELP C[C@@]([NH3+])(C#N)CN1CCC([NH+]2CCCCC2)CC1 ZINC000045176699 175323439 /nfs/dbraw/zinc/32/34/39/175323439.db2.gz IHYUSTWFJIORDF-CQSZACIVSA-N 2 2 250.390 1.178 10 30 CDEELP C[NH+](C)CC1CC[NH+](C[C@](C)(C#N)NC2CC2)CC1 ZINC000045177190 175323480 /nfs/dbraw/zinc/32/34/80/175323480.db2.gz IIKUYRVCBPQOJN-HNNXBMFYSA-N 2 2 264.417 1.294 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)C1CC1 ZINC000045316725 175358150 /nfs/dbraw/zinc/35/81/50/175358150.db2.gz SHXQXYVFQUFFGK-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP CC[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)C1CC1 ZINC000045316725 175358151 /nfs/dbraw/zinc/35/81/51/175358151.db2.gz SHXQXYVFQUFFGK-AWEZNQCLSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(CC#N)c2ccccc2)C1 ZINC000071145353 176041854 /nfs/dbraw/zinc/04/18/54/176041854.db2.gz JJFXQMDGRIMORB-AWEZNQCLSA-N 2 2 286.379 1.084 10 30 CDEELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(CC#N)c2ccccc2)C1 ZINC000071145353 176041855 /nfs/dbraw/zinc/04/18/55/176041855.db2.gz JJFXQMDGRIMORB-AWEZNQCLSA-N 2 2 286.379 1.084 10 30 CDEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCCC2)C1 ZINC000071145822 176042002 /nfs/dbraw/zinc/04/20/02/176042002.db2.gz PIHAMOWJEZWVRT-CQSZACIVSA-N 2 2 292.427 1.260 10 30 CDEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCCC2)C1 ZINC000071145822 176042004 /nfs/dbraw/zinc/04/20/04/176042004.db2.gz PIHAMOWJEZWVRT-CQSZACIVSA-N 2 2 292.427 1.260 10 30 CDEELP CC[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071313685 176120230 /nfs/dbraw/zinc/12/02/30/176120230.db2.gz GIZZYEYRBBAHTI-AWEZNQCLSA-N 2 2 259.353 1.621 10 30 CDEELP CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071313685 176120231 /nfs/dbraw/zinc/12/02/31/176120231.db2.gz GIZZYEYRBBAHTI-AWEZNQCLSA-N 2 2 259.353 1.621 10 30 CDEELP C#CC[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001668105355 1173369349 /nfs/dbraw/zinc/36/93/49/1173369349.db2.gz CDYMASMDHQYLHZ-NSHDSACASA-N 2 2 270.336 1.294 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001671355091 1173677790 /nfs/dbraw/zinc/67/77/90/1173677790.db2.gz AVYZQZHVBOOIQM-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001671355091 1173677794 /nfs/dbraw/zinc/67/77/94/1173677794.db2.gz AVYZQZHVBOOIQM-ZFWWWQNUSA-N 2 2 288.395 1.192 10 30 CDEELP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCCCC1 ZINC000170912474 329072364 /nfs/dbraw/zinc/07/23/64/329072364.db2.gz PBOGSMODPLELGA-UHFFFAOYSA-N 2 2 284.367 1.568 10 30 CDEELP C[C@@H]1C[NH+]=C(NCc2cccc(Cn3cc[nH+]c3)c2)N1 ZINC000262686861 330027078 /nfs/dbraw/zinc/02/70/78/330027078.db2.gz YQTWZWLZMCYYHZ-GFCCVEGCSA-N 2 2 269.352 1.369 10 30 CDEELP C=C(C)C[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000514947652 330467747 /nfs/dbraw/zinc/46/77/47/330467747.db2.gz GYCZOVKYGPBNDO-UHFFFAOYSA-N 2 2 279.428 1.485 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001699391504 1176351583 /nfs/dbraw/zinc/35/15/83/1176351583.db2.gz OCNDGIKTHCBSMB-QWHCGFSZSA-N 2 2 264.373 1.332 10 30 CDEELP CCC[NH2+][C@@](C#N)(CN(C)CC[NH+](C)C)C1CC1 ZINC000069083834 520028481 /nfs/dbraw/zinc/02/84/81/520028481.db2.gz HFIIYCWZUVUDMU-AWEZNQCLSA-N 2 2 252.406 1.152 10 30 CDEELP C[C@@H](C[C@@](C)(C#N)NC1CC1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000068611429 524849882 /nfs/dbraw/zinc/84/98/82/524849882.db2.gz AOTJHUJQVNNCFU-BBRMVZONSA-N 2 2 278.444 1.825 10 30 CDEELP C[C@@H](C[C@@](C)(C#N)NC1CC1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000068611429 524849895 /nfs/dbraw/zinc/84/98/95/524849895.db2.gz AOTJHUJQVNNCFU-BBRMVZONSA-N 2 2 278.444 1.825 10 30 CDEELP N#Cc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC3)C2)ccn1 ZINC000068760816 526548402 /nfs/dbraw/zinc/54/84/02/526548402.db2.gz DTFCBEXAXLPLSL-AWEZNQCLSA-N 2 2 270.380 1.917 10 30 CDEELP N#Cc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C3CC3)C2)ccn1 ZINC000068760816 526548404 /nfs/dbraw/zinc/54/84/04/526548404.db2.gz DTFCBEXAXLPLSL-AWEZNQCLSA-N 2 2 270.380 1.917 10 30 CDEELP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001689912409 1175305248 /nfs/dbraw/zinc/30/52/48/1175305248.db2.gz VWHWKUKJZLZTPB-HIFRSBDPSA-N 2 2 288.395 1.253 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001670527027 1158630361 /nfs/dbraw/zinc/63/03/61/1158630361.db2.gz BWZFAEGKZRVYFO-IUODEOHRSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001670527027 1158630365 /nfs/dbraw/zinc/63/03/65/1158630365.db2.gz BWZFAEGKZRVYFO-IUODEOHRSA-N 2 2 288.395 1.096 10 30 CDEELP CC#CC[N@H+](CCC)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001691183599 1158950345 /nfs/dbraw/zinc/95/03/45/1158950345.db2.gz IABIAMZGIJOQPP-UHFFFAOYSA-N 2 2 276.384 1.194 10 30 CDEELP CC#CC[N@@H+](CCC)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001691183599 1158950348 /nfs/dbraw/zinc/95/03/48/1158950348.db2.gz IABIAMZGIJOQPP-UHFFFAOYSA-N 2 2 276.384 1.194 10 30 CDEELP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001670807067 1160168960 /nfs/dbraw/zinc/16/89/60/1160168960.db2.gz BWIJWYNNSNBPMS-CYBMUJFWSA-N 2 2 288.395 1.260 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876732050 1165903184 /nfs/dbraw/zinc/90/31/84/1165903184.db2.gz WYBOTZPRLMLGDW-WDEREUQCSA-N 2 2 282.775 1.586 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000877247695 1166002977 /nfs/dbraw/zinc/00/29/77/1166002977.db2.gz VAJHZLJKHHNSIP-KGLIPLIRSA-N 2 2 293.798 1.759 10 30 CDEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000877247695 1166002985 /nfs/dbraw/zinc/00/29/85/1166002985.db2.gz VAJHZLJKHHNSIP-KGLIPLIRSA-N 2 2 293.798 1.759 10 30 CDEELP C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001671201781 1167153576 /nfs/dbraw/zinc/15/35/76/1167153576.db2.gz FOKDVKUTRBQIIJ-MRXNPFEDSA-N 2 2 291.439 1.273 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001566731953 1168402798 /nfs/dbraw/zinc/40/27/98/1168402798.db2.gz LARKCQCKDGGFRY-HNNXBMFYSA-N 2 2 288.395 1.171 10 30 CDEELP C#CCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001569376366 1169821714 /nfs/dbraw/zinc/82/17/14/1169821714.db2.gz IXZQNIMECJVPKG-AWEZNQCLSA-N 2 2 288.395 1.220 10 30 CDEELP C#CCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001569376366 1169821726 /nfs/dbraw/zinc/82/17/26/1169821726.db2.gz IXZQNIMECJVPKG-AWEZNQCLSA-N 2 2 288.395 1.220 10 30 CDEELP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001570074132 1170073159 /nfs/dbraw/zinc/07/31/59/1170073159.db2.gz AZFRBCUWDJPYNM-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001570074132 1170073166 /nfs/dbraw/zinc/07/31/66/1170073166.db2.gz AZFRBCUWDJPYNM-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001570074132 1170073173 /nfs/dbraw/zinc/07/31/73/1170073173.db2.gz AZFRBCUWDJPYNM-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001570074132 1170073179 /nfs/dbraw/zinc/07/31/79/1170073179.db2.gz AZFRBCUWDJPYNM-OAHLLOKOSA-N 2 2 297.443 1.111 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001664583071 1172870403 /nfs/dbraw/zinc/87/04/03/1172870403.db2.gz FOPCENLLUOUNFY-SJORKVTESA-N 2 2 299.418 1.551 10 30 CDEELP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001664583071 1172870410 /nfs/dbraw/zinc/87/04/10/1172870410.db2.gz FOPCENLLUOUNFY-SJORKVTESA-N 2 2 299.418 1.551 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001670260919 1173668286 /nfs/dbraw/zinc/66/82/86/1173668286.db2.gz ACASPKKAIYVAMF-CYBMUJFWSA-N 2 2 264.373 1.458 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001597584325 1174282700 /nfs/dbraw/zinc/28/27/00/1174282700.db2.gz CYMZAVLFMKSTBR-UHFFFAOYSA-N 2 2 262.357 1.023 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001688933791 1175072209 /nfs/dbraw/zinc/07/22/09/1175072209.db2.gz XGBIVOGBAJLWAX-AULYBMBSSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001688933791 1175072215 /nfs/dbraw/zinc/07/22/15/1175072215.db2.gz XGBIVOGBAJLWAX-AULYBMBSSA-N 2 2 262.357 1.013 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001698580131 1175854298 /nfs/dbraw/zinc/85/42/98/1175854298.db2.gz CIJJMSXCXWISDR-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001698580131 1175854301 /nfs/dbraw/zinc/85/43/01/1175854301.db2.gz CIJJMSXCXWISDR-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001698580131 1175854305 /nfs/dbraw/zinc/85/43/05/1175854305.db2.gz CIJJMSXCXWISDR-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001698580131 1175854307 /nfs/dbraw/zinc/85/43/07/1175854307.db2.gz CIJJMSXCXWISDR-HNNXBMFYSA-N 2 2 290.411 1.841 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001698603716 1175867464 /nfs/dbraw/zinc/86/74/64/1175867464.db2.gz FWTGZURCFDGGAE-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001699599991 1176494341 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C#CCC[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001275730135 931983586 /nfs/dbraw/zinc/98/35/86/931983586.db2.gz RYHPPVCELMKQIR-AWEZNQCLSA-N 2 2 276.384 1.123 10 30 CDEELP C#CCC[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001275730135 931983591 /nfs/dbraw/zinc/98/35/91/931983591.db2.gz RYHPPVCELMKQIR-AWEZNQCLSA-N 2 2 276.384 1.123 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001282485628 942721488 /nfs/dbraw/zinc/72/14/88/942721488.db2.gz MNQFFOOWSMCPOL-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001282485628 942721490 /nfs/dbraw/zinc/72/14/90/942721490.db2.gz MNQFFOOWSMCPOL-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283629358 942952783 /nfs/dbraw/zinc/95/27/83/942952783.db2.gz IHEGLTQOFGJPOH-KBPBESRZSA-N 2 2 290.411 1.458 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001263868678 944013557 /nfs/dbraw/zinc/01/35/57/944013557.db2.gz QDLSZZNMTZIPKW-HDJSIYSDSA-N 2 2 290.411 1.413 10 30 CDEELP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264685950 944164085 /nfs/dbraw/zinc/16/40/85/944164085.db2.gz WEVZUUZXKXYOGG-OAHLLOKOSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265914788 944571225 /nfs/dbraw/zinc/57/12/25/944571225.db2.gz WSTSXINEIMONGB-AWEZNQCLSA-N 2 2 289.379 1.399 10 30 CDEELP C#CCC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001479879389 971468162 /nfs/dbraw/zinc/46/81/62/971468162.db2.gz DTWJCGKWGPEOEE-UHFFFAOYSA-N 2 2 288.395 1.255 10 30 CDEELP C#CCC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001479879389 971468166 /nfs/dbraw/zinc/46/81/66/971468166.db2.gz DTWJCGKWGPEOEE-UHFFFAOYSA-N 2 2 288.395 1.255 10 30 CDEELP C#CCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001292440523 954160789 /nfs/dbraw/zinc/16/07/89/954160789.db2.gz XPCQRWFJHCOQDK-UHFFFAOYSA-N 2 2 277.412 1.028 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491588645 955301536 /nfs/dbraw/zinc/30/15/36/955301536.db2.gz BSFQVWSEIWJBOP-NSHDSACASA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001329304249 955812087 /nfs/dbraw/zinc/81/20/87/955812087.db2.gz VQSNUTLAWMGLLV-UHFFFAOYSA-N 2 2 278.400 1.603 10 30 CDEELP C=CC[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001329304249 955812102 /nfs/dbraw/zinc/81/21/02/955812102.db2.gz VQSNUTLAWMGLLV-UHFFFAOYSA-N 2 2 278.400 1.603 10 30 CDEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001330926073 956709831 /nfs/dbraw/zinc/70/98/31/956709831.db2.gz HADHCJLKIKNLOP-GFCCVEGCSA-N 2 2 264.373 1.403 10 30 CDEELP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001331334743 956974147 /nfs/dbraw/zinc/97/41/47/956974147.db2.gz RQMJCVLDVCLQEX-UKRRQHHQSA-N 2 2 290.411 1.847 10 30 CDEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001316950165 957148241 /nfs/dbraw/zinc/14/82/41/957148241.db2.gz KAQUQYCGYIEDFT-LSDHHAIUSA-N 2 2 288.395 1.438 10 30 CDEELP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001316950165 957148252 /nfs/dbraw/zinc/14/82/52/957148252.db2.gz KAQUQYCGYIEDFT-LSDHHAIUSA-N 2 2 288.395 1.438 10 30 CDEELP C=CC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317144778 957302719 /nfs/dbraw/zinc/30/27/19/957302719.db2.gz UNIVRBRHPFDCSR-CYBMUJFWSA-N 2 2 276.384 1.275 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317144778 957302727 /nfs/dbraw/zinc/30/27/27/957302727.db2.gz UNIVRBRHPFDCSR-CYBMUJFWSA-N 2 2 276.384 1.275 10 30 CDEELP C=C(C)C[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001323034423 960414704 /nfs/dbraw/zinc/41/47/04/960414704.db2.gz CWRFGXZFUGTXIH-CQSZACIVSA-N 2 2 290.411 1.413 10 30 CDEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001436485362 962280001 /nfs/dbraw/zinc/28/00/01/962280001.db2.gz SWHUPVHGNLJXTM-AGIUHOORSA-N 2 2 287.835 1.658 10 30 CDEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001436485362 962280017 /nfs/dbraw/zinc/28/00/17/962280017.db2.gz SWHUPVHGNLJXTM-AGIUHOORSA-N 2 2 287.835 1.658 10 30 CDEELP C#CC[NH+]1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC001341194815 963313618 /nfs/dbraw/zinc/31/36/18/963313618.db2.gz YSZZCLVMXIPSHB-UHFFFAOYSA-N 2 2 297.362 1.553 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001502800718 974785799 /nfs/dbraw/zinc/78/57/99/974785799.db2.gz SCHNZDNJGMZWPS-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]C1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001502800718 974785803 /nfs/dbraw/zinc/78/58/03/974785803.db2.gz SCHNZDNJGMZWPS-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001502932642 974805911 /nfs/dbraw/zinc/80/59/11/974805911.db2.gz GIUXGENXVKCNMT-QWHCGFSZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001502932642 974805915 /nfs/dbraw/zinc/80/59/15/974805915.db2.gz GIUXGENXVKCNMT-QWHCGFSZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001502932642 974805917 /nfs/dbraw/zinc/80/59/17/974805917.db2.gz GIUXGENXVKCNMT-QWHCGFSZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001502932642 974805919 /nfs/dbraw/zinc/80/59/19/974805919.db2.gz GIUXGENXVKCNMT-QWHCGFSZSA-N 2 2 276.384 1.497 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001505405557 974862650 /nfs/dbraw/zinc/86/26/50/974862650.db2.gz HFHUUWCVPIYHOA-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001505405557 974862658 /nfs/dbraw/zinc/86/26/58/974862658.db2.gz HFHUUWCVPIYHOA-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C#CCC[NH+]1CC([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001506684367 975202987 /nfs/dbraw/zinc/20/29/87/975202987.db2.gz ZGRBOJLIXCBUOQ-AWEZNQCLSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507022641 975297449 /nfs/dbraw/zinc/29/74/49/975297449.db2.gz DAAGNDWCVOQEGC-OAHLLOKOSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001406732549 976386067 /nfs/dbraw/zinc/38/60/67/976386067.db2.gz YSGUHRYSXCKZCD-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001406732549 976386072 /nfs/dbraw/zinc/38/60/72/976386072.db2.gz YSGUHRYSXCKZCD-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001406732549 976386083 /nfs/dbraw/zinc/38/60/83/976386083.db2.gz YSGUHRYSXCKZCD-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001406732549 976386095 /nfs/dbraw/zinc/38/60/95/976386095.db2.gz YSGUHRYSXCKZCD-LBPRGKRZSA-N 2 2 275.824 1.516 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001676767196 1174269476 /nfs/dbraw/zinc/26/94/76/1174269476.db2.gz MRFGCPUIPLTYQL-KBPBESRZSA-N 2 2 290.411 1.508 10 30 CDEELP CCCCNC(NCCn1cc[nH+]c1)=[NH+]CCC ZINC000073507864 345442576 /nfs/dbraw/zinc/44/25/76/345442576.db2.gz RSGCYEZFTOKUQV-UHFFFAOYSA-N 2 2 251.378 1.628 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000344219679 379327513 /nfs/dbraw/zinc/32/75/13/379327513.db2.gz MYFUJRYOUCDDGF-UKRRQHHQSA-N 2 2 251.418 1.567 10 30 CDEELP C=CCCn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000655940947 412954592 /nfs/dbraw/zinc/95/45/92/412954592.db2.gz IBKIZHQPNKTHHD-TZMCWYRMSA-N 2 2 261.373 1.038 10 30 CDEELP C=CCCn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000655940947 412954600 /nfs/dbraw/zinc/95/46/00/412954600.db2.gz IBKIZHQPNKTHHD-TZMCWYRMSA-N 2 2 261.373 1.038 10 30 CDEELP C=CCCn1cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)nn1 ZINC000655938302 412956806 /nfs/dbraw/zinc/95/68/06/412956806.db2.gz RJTVDYVHJDXBNF-ZDUSSCGKSA-N 2 2 251.378 1.317 10 30 CDEELP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1C#N ZINC000423126630 392958333 /nfs/dbraw/zinc/95/83/33/392958333.db2.gz SAMJOEFRFNAGHD-RISCZKNCSA-N 2 2 259.353 1.797 10 30 CDEELP CCN1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683562 175091730 /nfs/dbraw/zinc/09/17/30/175091730.db2.gz GJQZWVSTJCYUAO-UHFFFAOYSA-N 2 2 263.410 1.196 10 30 CDEELP CC[NH+]1CCC([N@H+](C)Cc2sccc2C#CC[NH3+])CC1 ZINC000043684240 175093218 /nfs/dbraw/zinc/09/32/18/175093218.db2.gz XAUMICCOVFUDKY-UHFFFAOYSA-N 3 2 291.464 1.974 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)Cc2sccc2C#CC[NH3+])CC1 ZINC000043684240 175093219 /nfs/dbraw/zinc/09/32/19/175093219.db2.gz XAUMICCOVFUDKY-UHFFFAOYSA-N 3 2 291.464 1.974 10 30 CDEELP CCN(CC)C(=O)C[N@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689009 175095901 /nfs/dbraw/zinc/09/59/01/175095901.db2.gz SMXIVVFETFWBEQ-UHFFFAOYSA-N 2 2 293.436 1.359 10 30 CDEELP CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689009 175095902 /nfs/dbraw/zinc/09/59/02/175095902.db2.gz SMXIVVFETFWBEQ-UHFFFAOYSA-N 2 2 293.436 1.359 10 30 CDEELP C[C@]([NH3+])(C#N)CN1CCC([NH+]2CCCCC2)CC1 ZINC000045176697 175323521 /nfs/dbraw/zinc/32/35/21/175323521.db2.gz IHYUSTWFJIORDF-AWEZNQCLSA-N 2 2 250.390 1.178 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCN1CCC[N@H+](C)CC1 ZINC000045179743 175323880 /nfs/dbraw/zinc/32/38/80/175323880.db2.gz YUMHZEVNRDLAKC-AWEZNQCLSA-N 2 2 252.406 1.296 10 30 CDEELP CCC[NH2+][C@](C)(C#N)CCN1CCC[N@@H+](C)CC1 ZINC000045179743 175323881 /nfs/dbraw/zinc/32/38/81/175323881.db2.gz YUMHZEVNRDLAKC-AWEZNQCLSA-N 2 2 252.406 1.296 10 30 CDEELP C[C@@H]1CCOCC[NH+]1CC#CC[N@@H+]1CCOCC[C@@H]1C ZINC000367457040 266290853 /nfs/dbraw/zinc/29/08/53/266290853.db2.gz DVSNIXWSNDNBAF-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP C[C@@H]1CCOCC[N@H+]1CC#CC[NH+]1CCOCC[C@@H]1C ZINC000367457040 266290856 /nfs/dbraw/zinc/29/08/56/266290856.db2.gz DVSNIXWSNDNBAF-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP C[C@@H]1CCOCC[N@@H+]1CC#CC[NH+]1CCOCC[C@@H]1C ZINC000367457040 266290859 /nfs/dbraw/zinc/29/08/59/266290859.db2.gz DVSNIXWSNDNBAF-IYBDPMFKSA-N 2 2 280.412 1.211 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001669910912 1173630063 /nfs/dbraw/zinc/63/00/63/1173630063.db2.gz RDXZDQZIIUKLDX-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001669910912 1173630068 /nfs/dbraw/zinc/63/00/68/1173630068.db2.gz RDXZDQZIIUKLDX-ZDUSSCGKSA-N 2 2 278.400 1.365 10 30 CDEELP C=CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001673194008 1173834602 /nfs/dbraw/zinc/83/46/02/1173834602.db2.gz XJGYEFFMWXVRSL-UHFFFAOYSA-N 2 2 276.384 1.167 10 30 CDEELP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@](C)(O)C[NH2+]C ZINC000566351828 327332121 /nfs/dbraw/zinc/33/21/21/327332121.db2.gz FQMWOORHSXFVFD-OAHLLOKOSA-N 2 2 293.367 1.553 10 30 CDEELP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@](C)(O)C[NH2+]C ZINC000566351828 327332122 /nfs/dbraw/zinc/33/21/22/327332122.db2.gz FQMWOORHSXFVFD-OAHLLOKOSA-N 2 2 293.367 1.553 10 30 CDEELP C=C(C)CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912462 329072319 /nfs/dbraw/zinc/07/23/19/329072319.db2.gz 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ZXBKKIHZFOKWCW-QWHCGFSZSA-N 2 2 278.400 1.743 10 30 CDEELP C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716047345 1180020732 /nfs/dbraw/zinc/02/07/32/1180020732.db2.gz ZXBKKIHZFOKWCW-QWHCGFSZSA-N 2 2 278.400 1.743 10 30 CDEELP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497172 1180253884 /nfs/dbraw/zinc/25/38/84/1180253884.db2.gz IMEFIAPXQHDHTG-OLZOCXBDSA-N 2 2 264.373 1.457 10 30 CDEELP C=CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716497172 1180253886 /nfs/dbraw/zinc/25/38/86/1180253886.db2.gz IMEFIAPXQHDHTG-OLZOCXBDSA-N 2 2 264.373 1.457 10 30 CDEELP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001716875227 1180450597 /nfs/dbraw/zinc/45/05/97/1180450597.db2.gz JJDQOIXEYPUZKS-GDBMZVCRSA-N 2 2 288.395 1.296 10 30 CDEELP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001717371009 1180633570 /nfs/dbraw/zinc/63/35/70/1180633570.db2.gz XUCXVONVPKLLAI-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001717371009 1180633571 /nfs/dbraw/zinc/63/35/71/1180633571.db2.gz XUCXVONVPKLLAI-HNNXBMFYSA-N 2 2 288.395 1.219 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001717802743 1180863987 /nfs/dbraw/zinc/86/39/87/1180863987.db2.gz PRHHCGLNNRXYTH-KGLIPLIRSA-N 2 2 290.411 1.806 10 30 CDEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001724900882 1181789081 /nfs/dbraw/zinc/78/90/81/1181789081.db2.gz ZEBFVXMQDCWJJW-KRWDZBQOSA-N 2 2 299.418 1.114 10 30 CDEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001724900882 1181789084 /nfs/dbraw/zinc/78/90/84/1181789084.db2.gz ZEBFVXMQDCWJJW-KRWDZBQOSA-N 2 2 299.418 1.114 10 30 CDEELP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725290084 1181953396 /nfs/dbraw/zinc/95/33/96/1181953396.db2.gz OSDJNPNCGKNIQR-ZIAGYGMSSA-N 2 2 288.395 1.294 10 30 CDEELP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001725290084 1181953402 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CDEELP C=CC[NH2+]C1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001508131351 975618161 /nfs/dbraw/zinc/61/81/61/975618161.db2.gz WHWNENITPFIGKS-UHFFFAOYSA-N 2 2 276.384 1.118 10 30 CDEELP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001380684735 976515813 /nfs/dbraw/zinc/51/58/13/976515813.db2.gz WEVPISCREXYHTO-OLZOCXBDSA-N 2 2 296.802 1.462 10 30 CDEELP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001674491553 1173953411 /nfs/dbraw/zinc/95/34/11/1173953411.db2.gz OHYLEQJOCCJTHF-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001674491553 1173953419 /nfs/dbraw/zinc/95/34/19/1173953419.db2.gz OHYLEQJOCCJTHF-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001675009841 1174058506 /nfs/dbraw/zinc/05/85/06/1174058506.db2.gz PWWVNEMEYOPCOT-STQMWFEESA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001675009841 1174058513 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C=CCCn1cc(C[NH+]2CCC(OCCC[NH3+])CC2)nn1 ZINC000655938180 412957098 /nfs/dbraw/zinc/95/70/98/412957098.db2.gz ONLJMNYPNNNFJC-UHFFFAOYSA-N 2 2 293.415 1.184 10 30 CDEELP C=CC[C@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC[NH2+]1 ZINC000662699653 413339878 /nfs/dbraw/zinc/33/98/78/413339878.db2.gz CGDXOBBOIXEBSB-MRXNPFEDSA-N 2 2 288.395 1.745 10 30 CDEELP CCCCCCC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001665228633 1172965304 /nfs/dbraw/zinc/96/53/04/1172965304.db2.gz VAACGMBNAZWKSA-UHFFFAOYSA-N 2 2 281.444 1.853 10 30 CDEELP C=C[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000662168837 414548360 /nfs/dbraw/zinc/54/83/60/414548360.db2.gz XFURREBKKIQEDB-CQSZACIVSA-N 2 2 257.337 1.817 10 30 CDEELP C[NH+](C)C1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000043698612 175096762 /nfs/dbraw/zinc/09/67/62/175096762.db2.gz GPXMYWLWARJIMQ-UHFFFAOYSA-N 2 2 278.421 1.618 10 30 CDEELP CC(C)N[C@@](C)(C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045177188 175323675 /nfs/dbraw/zinc/32/36/75/175323675.db2.gz GGFAYEQFJQZQRB-HNNXBMFYSA-N 2 2 266.433 1.540 10 30 CDEELP CCN[C@@](C)(C#N)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045179572 175323840 /nfs/dbraw/zinc/32/38/40/175323840.db2.gz JDMUDBXTYSSAKO-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP CCN[C@@](C)(C#N)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045179572 175323842 /nfs/dbraw/zinc/32/38/42/175323842.db2.gz JDMUDBXTYSSAKO-CQSZACIVSA-N 2 2 252.406 1.294 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175721397 261241749 /nfs/dbraw/zinc/24/17/49/261241749.db2.gz QPQWOEUBOLLDRD-HZPDHXFCSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175721397 261241751 /nfs/dbraw/zinc/24/17/51/261241751.db2.gz QPQWOEUBOLLDRD-HZPDHXFCSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175721397 261241753 /nfs/dbraw/zinc/24/17/53/261241753.db2.gz QPQWOEUBOLLDRD-HZPDHXFCSA-N 2 2 293.455 1.849 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175721397 261241755 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C=C(C)[C@@H](CO)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689860 424432378 /nfs/dbraw/zinc/43/23/78/424432378.db2.gz SBPPMAUDIBABLQ-UKRRQHHQSA-N 2 2 268.401 1.109 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689860 424432381 /nfs/dbraw/zinc/43/23/81/424432381.db2.gz SBPPMAUDIBABLQ-UKRRQHHQSA-N 2 2 268.401 1.109 10 30 CDEELP CN1CC[NH+]=C1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000262636314 330023749 /nfs/dbraw/zinc/02/37/49/330023749.db2.gz GXKRWZLHEYFIRD-UHFFFAOYSA-N 2 2 255.325 1.263 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000424176942 330317414 /nfs/dbraw/zinc/31/74/14/330317414.db2.gz SGJLWBUTSHSELK-XPCVCDNBSA-N 2 2 250.386 1.792 10 30 CDEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000424176942 330317415 /nfs/dbraw/zinc/31/74/15/330317415.db2.gz SGJLWBUTSHSELK-XPCVCDNBSA-N 2 2 250.386 1.792 10 30 CDEELP C=CCCCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179306582 335486420 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C=C(C)C[NH2+]C/C=C\CNC(=O)CCc1c[nH+]cn1C ZINC001568957892 1169564990 /nfs/dbraw/zinc/56/49/90/1169564990.db2.gz DXSQTDAKJVUSCC-PLNGDYQASA-N 2 2 276.384 1.191 10 30 CDEELP C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001664462623 1172857530 /nfs/dbraw/zinc/85/75/30/1172857530.db2.gz JPTKOINBZCBANK-LBPRGKRZSA-N 2 2 290.411 1.663 10 30 CDEELP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001668117395 1173370519 /nfs/dbraw/zinc/37/05/19/1173370519.db2.gz HVUVFHZSZBQMPO-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001676963829 1174301025 /nfs/dbraw/zinc/30/10/25/1174301025.db2.gz CDFHKALMTCFWFJ-KBPBESRZSA-N 2 2 290.411 1.413 10 30 CDEELP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504860 1175483803 /nfs/dbraw/zinc/48/38/03/1175483803.db2.gz JURZMGOTTVQSKY-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690504860 1175483808 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1.601 10 30 CDEELP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001700494455 1176980283 /nfs/dbraw/zinc/98/02/83/1176980283.db2.gz KCSRCSNWEKPSJV-OLZOCXBDSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001700909639 1177191882 /nfs/dbraw/zinc/19/18/82/1177191882.db2.gz FUPSJWNHASYRJS-GJZGRUSLSA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001707054649 1177928692 /nfs/dbraw/zinc/92/86/92/1177928692.db2.gz BJKMYGYOMVCMRJ-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001707054649 1177928697 /nfs/dbraw/zinc/92/86/97/1177928697.db2.gz BJKMYGYOMVCMRJ-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713135084 1178389321 /nfs/dbraw/zinc/38/93/21/1178389321.db2.gz BEXRLLYHKWRERJ-AWEZNQCLSA-N 2 2 290.411 1.699 10 30 CDEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713135084 1178389327 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CDEELP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480650223 955654946 /nfs/dbraw/zinc/65/49/46/955654946.db2.gz CKXCKMVHUIXMOX-GFCCVEGCSA-N 2 2 284.363 1.801 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001329148570 955719217 /nfs/dbraw/zinc/71/92/17/955719217.db2.gz FRPKPVTVMLMJTJ-WDEREUQCSA-N 2 2 250.346 1.011 10 30 CDEELP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001492313836 955796023 /nfs/dbraw/zinc/79/60/23/955796023.db2.gz VKIDOTKAKMKNAP-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001492313836 955796038 /nfs/dbraw/zinc/79/60/38/955796038.db2.gz VKIDOTKAKMKNAP-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001331441728 957062453 /nfs/dbraw/zinc/06/24/53/957062453.db2.gz YSNHCQAZRPHIAW-LBPRGKRZSA-N 2 2 284.363 1.326 10 30 CDEELP CC#CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001316927571 957129150 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C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001317407010 957456756 /nfs/dbraw/zinc/45/67/56/957456756.db2.gz BMGRPQGLVZMONJ-KBPBESRZSA-N 2 2 278.400 1.895 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317431006 957466867 /nfs/dbraw/zinc/46/68/67/957466867.db2.gz DMRVNDYWRRTCCL-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317431006 957466873 /nfs/dbraw/zinc/46/68/73/957466873.db2.gz DMRVNDYWRRTCCL-OAHLLOKOSA-N 2 2 290.411 1.889 10 30 CDEELP CC#CC[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317613766 957599401 /nfs/dbraw/zinc/59/94/01/957599401.db2.gz ANRARBADWBHWCR-UHFFFAOYSA-N 2 2 296.374 1.557 10 30 CDEELP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001318576832 958180836 /nfs/dbraw/zinc/18/08/36/958180836.db2.gz OCCPEWKTEXOHCA-BFHYXJOUSA-N 2 2 290.411 1.584 10 30 CDEELP C=CC[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001322731477 960308660 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C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001501084306 974529754 /nfs/dbraw/zinc/52/97/54/974529754.db2.gz TVFPXKORZPZAFH-QWHCGFSZSA-N 2 2 290.411 1.700 10 30 CDEELP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001501643795 974616840 /nfs/dbraw/zinc/61/68/40/974616840.db2.gz DKVHBQNSBCOYJW-CQSZACIVSA-N 2 2 288.395 1.112 10 30 CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001505920159 975044354 /nfs/dbraw/zinc/04/43/54/975044354.db2.gz HOJBWFCDNRDLAX-GFCCVEGCSA-N 2 2 286.379 1.879 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001505920159 975044357 /nfs/dbraw/zinc/04/43/57/975044357.db2.gz HOJBWFCDNRDLAX-GFCCVEGCSA-N 2 2 286.379 1.879 10 30 CDEELP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001506003979 975079820 /nfs/dbraw/zinc/07/98/20/975079820.db2.gz QJXAULDZOVVBNB-BFHYXJOUSA-N 2 2 290.411 1.536 10 30 CDEELP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001506003979 975079826 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CDEELP C=C(C)CC[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001571695462 1170526699 /nfs/dbraw/zinc/52/66/99/1170526699.db2.gz PDSHLHKIORKTMO-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP C=C(C)CC[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001571695462 1170526703 /nfs/dbraw/zinc/52/67/03/1170526703.db2.gz PDSHLHKIORKTMO-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1C#N)CCO2 ZINC000592181102 342679299 /nfs/dbraw/zinc/67/92/99/342679299.db2.gz CJGYWIWBKREQFE-UHFFFAOYSA-N 2 2 285.391 1.855 10 30 CDEELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC000592181102 342679301 /nfs/dbraw/zinc/67/93/01/342679301.db2.gz CJGYWIWBKREQFE-UHFFFAOYSA-N 2 2 285.391 1.855 10 30 CDEELP N#CCCCC[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000594441931 342907800 /nfs/dbraw/zinc/90/78/00/342907800.db2.gz YTGDXARPQBQMRV-ZDUSSCGKSA-N 2 2 277.372 1.191 10 30 CDEELP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600713894 342244006 /nfs/dbraw/zinc/24/40/06/342244006.db2.gz FXFVPTPAWBZWHG-CQSZACIVSA-N 2 2 298.390 1.989 10 30 CDEELP N#CC1(C[C@H](O)C[NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000600724836 342245183 /nfs/dbraw/zinc/24/51/83/342245183.db2.gz OUHNSBJNNBJSIR-ZDUSSCGKSA-N 2 2 274.368 1.528 10 30 CDEELP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C#N ZINC000599481766 344070666 /nfs/dbraw/zinc/07/06/66/344070666.db2.gz NNAKABBXIMIEJD-SFHVURJKSA-N 2 2 299.418 1.898 10 30 CDEELP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C#N ZINC000599481766 344070667 /nfs/dbraw/zinc/07/06/67/344070667.db2.gz NNAKABBXIMIEJD-SFHVURJKSA-N 2 2 299.418 1.898 10 30 CDEELP C=C(Br)C[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000085289478 179005852 /nfs/dbraw/zinc/00/58/52/179005852.db2.gz YSZTXMKJPQTCLV-ZJUUUORDSA-N 2 2 259.191 1.825 10 30 CDEELP C=C(Br)C[N@@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000085289478 179005854 /nfs/dbraw/zinc/00/58/54/179005854.db2.gz YSZTXMKJPQTCLV-ZJUUUORDSA-N 2 2 259.191 1.825 10 30 CDEELP COc1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1C#N ZINC000600775972 348260675 /nfs/dbraw/zinc/26/06/75/348260675.db2.gz UVIYPKFGVIAMSB-CALCHBBNSA-N 2 2 285.391 1.998 10 30 CDEELP COc1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1C#N ZINC000600775972 348260678 /nfs/dbraw/zinc/26/06/78/348260678.db2.gz UVIYPKFGVIAMSB-CALCHBBNSA-N 2 2 285.391 1.998 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246491314 360866472 /nfs/dbraw/zinc/86/64/72/360866472.db2.gz AOKZQNIXUKJQHW-IIAWOOMASA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246491314 360866473 /nfs/dbraw/zinc/86/64/73/360866473.db2.gz AOKZQNIXUKJQHW-IIAWOOMASA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246491314 360866474 /nfs/dbraw/zinc/86/64/74/360866474.db2.gz AOKZQNIXUKJQHW-IIAWOOMASA-N 2 2 294.443 1.455 10 30 CDEELP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246491314 360866477 /nfs/dbraw/zinc/86/64/77/360866477.db2.gz AOKZQNIXUKJQHW-IIAWOOMASA-N 2 2 294.443 1.455 10 30 CDEELP COc1cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)ccc1C#N ZINC000414955945 241482488 /nfs/dbraw/zinc/48/24/88/241482488.db2.gz PBRTUVWMUHPBRS-RISCZKNCSA-N 2 2 259.353 1.797 10 30 CDEELP CC1([NH+]2CCOCC2)CC[NH+](CCCCC#N)CC1 ZINC000528726860 367954768 /nfs/dbraw/zinc/95/47/68/367954768.db2.gz FQQGULWLDHVZLO-UHFFFAOYSA-N 2 2 265.401 1.867 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887439 376779914 /nfs/dbraw/zinc/77/99/14/376779914.db2.gz RKNGSWJUVQTQME-CABCVRRESA-N 2 2 277.412 1.261 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887439 376779918 /nfs/dbraw/zinc/77/99/18/376779918.db2.gz RKNGSWJUVQTQME-CABCVRRESA-N 2 2 277.412 1.261 10 30 CDEELP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069596930 378382559 /nfs/dbraw/zinc/38/25/59/378382559.db2.gz DVBARXGXGABDIX-INIZCTEOSA-N 2 2 293.455 1.877 10 30 CDEELP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069596930 378382569 /nfs/dbraw/zinc/38/25/69/378382569.db2.gz DVBARXGXGABDIX-INIZCTEOSA-N 2 2 293.455 1.877 10 30 CDEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193821136 391401805 /nfs/dbraw/zinc/40/18/05/391401805.db2.gz MZODBIODQVRJDK-CQSZACIVSA-N 2 2 281.444 1.826 10 30 CDEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001664456848 1172855389 /nfs/dbraw/zinc/85/53/89/1172855389.db2.gz BLSGKWVFICGVCU-ZDUSSCGKSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001665670165 1173036665 /nfs/dbraw/zinc/03/66/65/1173036665.db2.gz CBXXGLXQGVLYNC-OAHLLOKOSA-N 2 2 288.395 1.138 10 30 CDEELP C=CC[C@]1(C(=O)N[C@H](C)c2[nH+]ccn2CC)CCC[NH2+]1 ZINC000662901161 413684032 /nfs/dbraw/zinc/68/40/32/413684032.db2.gz FCWAKPJPMPTJFD-IUODEOHRSA-N 2 2 276.384 1.779 10 30 CDEELP C[C@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683684 175092029 /nfs/dbraw/zinc/09/20/29/175092029.db2.gz YTULBHPCLVFJIY-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP C[C@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683684 175092031 /nfs/dbraw/zinc/09/20/31/175092031.db2.gz YTULBHPCLVFJIY-NSHDSACASA-N 2 2 250.367 1.279 10 30 CDEELP CC[N@H+](CCC[C@@](C)(C#N)[NH2+]C)C[C@@H]1CCCO1 ZINC000045315111 175357524 /nfs/dbraw/zinc/35/75/24/175357524.db2.gz GUPDUQAWJTUHRM-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP CC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C)C[C@@H]1CCCO1 ZINC000045315111 175357525 /nfs/dbraw/zinc/35/75/25/175357525.db2.gz GUPDUQAWJTUHRM-KBPBESRZSA-N 2 2 253.390 1.769 10 30 CDEELP C[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045321028 175358795 /nfs/dbraw/zinc/35/87/95/175358795.db2.gz ULTVQCNYXJTRDE-OAHLLOKOSA-N 2 2 280.416 1.246 10 30 CDEELP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071310654 176117611 /nfs/dbraw/zinc/11/76/11/176117611.db2.gz ULUZAWUWNJMHJY-AWEZNQCLSA-N 2 2 272.352 1.181 10 30 CDEELP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071310654 176117612 /nfs/dbraw/zinc/11/76/12/176117612.db2.gz ULUZAWUWNJMHJY-AWEZNQCLSA-N 2 2 272.352 1.181 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001665856280 1173074062 /nfs/dbraw/zinc/07/40/62/1173074062.db2.gz KZFHPPXYBSGTBE-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001665856280 1173074068 /nfs/dbraw/zinc/07/40/68/1173074068.db2.gz KZFHPPXYBSGTBE-VXGBXAGGSA-N 2 2 264.373 1.259 10 30 CDEELP CC(C)c1[nH+]ccn1CC[NH+]1CCN(CC#N)CC1 ZINC000077161672 177229391 /nfs/dbraw/zinc/22/93/91/177229391.db2.gz MXXYTRIQTXWOIP-UHFFFAOYSA-N 2 2 261.373 1.148 10 30 CDEELP C=CCC[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001666032047 1173102073 /nfs/dbraw/zinc/10/20/73/1173102073.db2.gz NWDZXVMIHORWES-OAHLLOKOSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001667003470 1173221668 /nfs/dbraw/zinc/22/16/68/1173221668.db2.gz WKZVGGVEDMKAQW-STQMWFEESA-N 2 2 264.373 1.457 10 30 CDEELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411661487 328098000 /nfs/dbraw/zinc/09/80/00/328098000.db2.gz MMAKBRAFYWAOGC-CYBMUJFWSA-N 2 2 274.368 1.904 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CCCCC1 ZINC000262700411 330027994 /nfs/dbraw/zinc/02/79/94/330027994.db2.gz KHBDJFADYYMORT-AWEZNQCLSA-N 2 2 280.416 1.087 10 30 CDEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CCCCC1 ZINC000262700411 330027996 /nfs/dbraw/zinc/02/79/96/330027996.db2.gz KHBDJFADYYMORT-AWEZNQCLSA-N 2 2 280.416 1.087 10 30 CDEELP C=C(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422979707 330162615 /nfs/dbraw/zinc/16/26/15/330162615.db2.gz NLNJRGNGMMUREM-IRXDYDNUSA-N 3 2 293.455 1.384 10 30 CDEELP C=CC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667837064 483455102 /nfs/dbraw/zinc/45/51/02/483455102.db2.gz GROVSOBTZRHIHL-HUUCEWRRSA-N 2 2 250.386 1.794 10 30 CDEELP CCN[C@H](C#N)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000062437217 520159983 /nfs/dbraw/zinc/15/99/83/520159983.db2.gz SVVXZJQFVSMRCT-ZDUSSCGKSA-N 2 2 252.406 1.294 10 30 CDEELP CCN[C@H](C#N)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000062437217 520159990 /nfs/dbraw/zinc/15/99/90/520159990.db2.gz SVVXZJQFVSMRCT-ZDUSSCGKSA-N 2 2 252.406 1.294 10 30 CDEELP CC[C@@H]1CC[C@@H](C#N)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061644281 523343791 /nfs/dbraw/zinc/34/37/91/523343791.db2.gz YZIWNCYHNWVXOR-IXDOHACOSA-N 2 2 292.471 1.884 10 30 CDEELP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@@H]1CC=C ZINC000934460292 617595623 /nfs/dbraw/zinc/59/56/23/617595623.db2.gz KYQUQHFANJVUDP-QDMKHBRRSA-N 2 2 250.386 1.648 10 30 CDEELP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@@H]1CC=C ZINC000934460292 617595626 /nfs/dbraw/zinc/59/56/26/617595626.db2.gz KYQUQHFANJVUDP-QDMKHBRRSA-N 2 2 250.386 1.648 10 30 CDEELP C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CC[C@@H]1CC=C ZINC000934460292 617595630 /nfs/dbraw/zinc/59/56/30/617595630.db2.gz KYQUQHFANJVUDP-QDMKHBRRSA-N 2 2 250.386 1.648 10 30 CDEELP C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CC[C@@H]1CC=C ZINC000934460292 617595634 /nfs/dbraw/zinc/59/56/34/617595634.db2.gz KYQUQHFANJVUDP-QDMKHBRRSA-N 2 2 250.386 1.648 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000894863822 619107370 /nfs/dbraw/zinc/10/73/70/619107370.db2.gz WBDLVIWBAJGLQI-UHFFFAOYSA-N 2 2 278.352 1.419 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000894863822 619107372 /nfs/dbraw/zinc/10/73/72/619107372.db2.gz WBDLVIWBAJGLQI-UHFFFAOYSA-N 2 2 278.352 1.419 10 30 CDEELP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894863625 619107446 /nfs/dbraw/zinc/10/74/46/619107446.db2.gz OBNNQESKSDNQID-UHFFFAOYSA-N 2 2 272.352 1.576 10 30 CDEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894863625 619107447 /nfs/dbraw/zinc/10/74/47/619107447.db2.gz OBNNQESKSDNQID-UHFFFAOYSA-N 2 2 272.352 1.576 10 30 CDEELP N#Cc1cccc(C2([NH2+]C[C@H]3CCC[NH2+]3)CCOCC2)c1 ZINC000903463406 625996237 /nfs/dbraw/zinc/99/62/37/625996237.db2.gz ABJHJDRJFBHLTR-MRXNPFEDSA-N 2 2 285.391 1.906 10 30 CDEELP C=CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001670672191 1158683722 /nfs/dbraw/zinc/68/37/22/1158683722.db2.gz JSEGGWQRLFUGJD-ZDUSSCGKSA-N 2 2 265.401 1.237 10 30 CDEELP C=CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001670672191 1158683727 /nfs/dbraw/zinc/68/37/27/1158683727.db2.gz JSEGGWQRLFUGJD-ZDUSSCGKSA-N 2 2 265.401 1.237 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001272344700 1161079430 /nfs/dbraw/zinc/07/94/30/1161079430.db2.gz WONVARFFKRKMOD-CABCVRRESA-N 2 2 290.411 1.724 10 30 CDEELP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001622809098 1165740110 /nfs/dbraw/zinc/74/01/10/1165740110.db2.gz FMNIBQRDGGWUMR-TZMCWYRMSA-N 2 2 276.384 1.410 10 30 CDEELP C[C@@H](CC#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001647287943 1168527714 /nfs/dbraw/zinc/52/77/14/1168527714.db2.gz OOBOIIDXYVFLNZ-ZDUSSCGKSA-N 2 2 292.427 1.211 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568180667 1169165456 /nfs/dbraw/zinc/16/54/56/1169165456.db2.gz VIACDEQAPYHVJD-CYBMUJFWSA-N 2 2 292.427 1.845 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569123585 1169671626 /nfs/dbraw/zinc/67/16/26/1169671626.db2.gz ZCBASPXUKCIWGB-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569123585 1169671630 /nfs/dbraw/zinc/67/16/30/1169671630.db2.gz ZCBASPXUKCIWGB-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569123585 1169671632 /nfs/dbraw/zinc/67/16/32/1169671632.db2.gz ZCBASPXUKCIWGB-BFHYXJOUSA-N 2 2 290.411 1.916 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001569855426 1170019675 /nfs/dbraw/zinc/01/96/75/1170019675.db2.gz HQBZSCDUBJXCDT-LSDHHAIUSA-N 2 2 290.411 1.533 10 30 CDEELP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001571369259 1170388193 /nfs/dbraw/zinc/38/81/93/1170388193.db2.gz WIHHNNGMSHYDQM-DZGCQCFKSA-N 2 2 288.395 1.294 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001666574121 1173154852 /nfs/dbraw/zinc/15/48/52/1173154852.db2.gz TZRLVWUUNBXVGK-KBPBESRZSA-N 2 2 290.411 1.364 10 30 CDEELP CC#CC[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669833009 1173617593 /nfs/dbraw/zinc/61/75/93/1173617593.db2.gz MCDMKSXDROIPAU-LBPRGKRZSA-N 2 2 284.363 1.636 10 30 CDEELP CC#CC[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669833009 1173617598 /nfs/dbraw/zinc/61/75/98/1173617598.db2.gz MCDMKSXDROIPAU-LBPRGKRZSA-N 2 2 284.363 1.636 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001674667314 1173983596 /nfs/dbraw/zinc/98/35/96/1173983596.db2.gz QOYJDDNUCNUKNC-QWHCGFSZSA-N 2 2 290.411 1.431 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001676440053 1174225530 /nfs/dbraw/zinc/22/55/30/1174225530.db2.gz MANZYSKUYQDJEV-KBPBESRZSA-N 2 2 292.427 1.991 10 30 CDEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001676440053 1174225538 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10 30 CDEELP C=CC[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001701027023 1177246099 /nfs/dbraw/zinc/24/60/99/1177246099.db2.gz OKBLWUYDRGLHQL-UHFFFAOYSA-N 2 2 276.384 1.118 10 30 CDEELP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001713173591 1178412201 /nfs/dbraw/zinc/41/22/01/1178412201.db2.gz JTIBPPCOKRDXMU-HDJSIYSDSA-N 2 2 290.411 1.556 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713827167 1178777805 /nfs/dbraw/zinc/77/78/05/1178777805.db2.gz QOVLJXRUBGXANR-DZGCQCFKSA-N 2 2 279.428 1.626 10 30 CDEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713827167 1178777810 /nfs/dbraw/zinc/77/78/10/1178777810.db2.gz QOVLJXRUBGXANR-DZGCQCFKSA-N 2 2 279.428 1.626 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001713955428 1178886042 /nfs/dbraw/zinc/88/60/42/1178886042.db2.gz AUZGRVVDHFGGLY-HDJSIYSDSA-N 2 2 276.384 1.476 10 30 CDEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001714173864 1179002551 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C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001716624159 1180311427 /nfs/dbraw/zinc/31/14/27/1180311427.db2.gz QQRGNGZUFFDFNS-DOMZBBRYSA-N 2 2 288.395 1.096 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716785963 1180415021 /nfs/dbraw/zinc/41/50/21/1180415021.db2.gz YMFLFRHPNKSHRE-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716785963 1180415024 /nfs/dbraw/zinc/41/50/24/1180415024.db2.gz YMFLFRHPNKSHRE-HIFRSBDPSA-N 2 2 290.411 1.745 10 30 CDEELP CC#CC[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717212669 1180578085 /nfs/dbraw/zinc/57/80/85/1180578085.db2.gz JUIUIIQRAWTMBG-HNNXBMFYSA-N 2 2 290.411 1.638 10 30 CDEELP CC#CC[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001717212669 1180578089 /nfs/dbraw/zinc/57/80/89/1180578089.db2.gz JUIUIIQRAWTMBG-HNNXBMFYSA-N 2 2 290.411 1.638 10 30 CDEELP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001717872779 1180907299 /nfs/dbraw/zinc/90/72/99/1180907299.db2.gz LAFGIHVDUTZEER-KBPBESRZSA-N 2 2 288.395 1.240 10 30 CDEELP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001717872779 1180907301 /nfs/dbraw/zinc/90/73/01/1180907301.db2.gz LAFGIHVDUTZEER-KBPBESRZSA-N 2 2 288.395 1.240 10 30 CDEELP C=CC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001731408304 1182368580 /nfs/dbraw/zinc/36/85/80/1182368580.db2.gz YMAOJWGPBNCYPX-TZMCWYRMSA-N 2 2 276.384 1.505 10 30 CDEELP C#CCC[NH+]1CC(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001732119627 1182782837 /nfs/dbraw/zinc/78/28/37/1182782837.db2.gz RRSKEZHIUQWYMW-UHFFFAOYSA-N 2 2 277.412 1.076 10 30 CDEELP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001732542141 1183001355 /nfs/dbraw/zinc/00/13/55/1183001355.db2.gz DDCAOVSTJZHYRQ-TZMCWYRMSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001733351967 1183406751 /nfs/dbraw/zinc/40/67/51/1183406751.db2.gz AAXMQAVRUWKNMS-ZDUSSCGKSA-N 2 2 276.384 1.417 10 30 CDEELP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001277314050 1167383934 /nfs/dbraw/zinc/38/39/34/1167383934.db2.gz MGRRTCFGMDDTOU-CHWSQXEVSA-N 2 2 276.384 1.096 10 30 CDEELP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001277314050 1167383941 /nfs/dbraw/zinc/38/39/41/1167383941.db2.gz MGRRTCFGMDDTOU-CHWSQXEVSA-N 2 2 276.384 1.096 10 30 CDEELP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000847022734 839293538 /nfs/dbraw/zinc/29/35/38/839293538.db2.gz JNHLEIIBGJHGHW-AEFFLSMTSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000847022734 839293556 /nfs/dbraw/zinc/29/35/56/839293556.db2.gz JNHLEIIBGJHGHW-AEFFLSMTSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000847022734 839293573 /nfs/dbraw/zinc/29/35/73/839293573.db2.gz JNHLEIIBGJHGHW-AEFFLSMTSA-N 2 2 286.419 1.825 10 30 CDEELP C#C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000847022734 839293592 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C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566767559 1168414272 /nfs/dbraw/zinc/41/42/72/1168414272.db2.gz JJUOEJDOJTUWSQ-GJZGRUSLSA-N 2 2 288.395 1.294 10 30 CDEELP C=CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001483651115 912281175 /nfs/dbraw/zinc/28/11/75/912281175.db2.gz LRTZKVIWJBGRTF-ZIAGYGMSSA-N 2 2 290.411 1.773 10 30 CDEELP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001483651115 912281190 /nfs/dbraw/zinc/28/11/90/912281190.db2.gz LRTZKVIWJBGRTF-ZIAGYGMSSA-N 2 2 290.411 1.773 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266633029 895636293 /nfs/dbraw/zinc/63/62/93/895636293.db2.gz ZRVYWQBEQMHSQZ-MGPQQGTHSA-N 2 2 290.411 1.554 10 30 CDEELP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266730759 895928646 /nfs/dbraw/zinc/92/86/46/895928646.db2.gz FQZMISQIJXFTFX-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266730759 895928653 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CC#CC[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001485439066 916968130 /nfs/dbraw/zinc/96/81/30/916968130.db2.gz COKNXHMQJNQQPH-AWEZNQCLSA-N 2 2 290.411 1.438 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485533148 917071934 /nfs/dbraw/zinc/07/19/34/917071934.db2.gz OJLOMDFELVGPNR-OLZOCXBDSA-N 2 2 299.846 1.517 10 30 CDEELP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485533148 917071949 /nfs/dbraw/zinc/07/19/49/917071949.db2.gz OJLOMDFELVGPNR-OLZOCXBDSA-N 2 2 299.846 1.517 10 30 CDEELP C#CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001485570489 917091114 /nfs/dbraw/zinc/09/11/14/917091114.db2.gz FAUKWTFBCAHZDJ-AWEZNQCLSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001485570489 917091121 /nfs/dbraw/zinc/09/11/21/917091121.db2.gz FAUKWTFBCAHZDJ-AWEZNQCLSA-N 2 2 288.395 1.192 10 30 CDEELP C#CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001485570489 917091127 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C=CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001284644026 943232430 /nfs/dbraw/zinc/23/24/30/943232430.db2.gz XKMNSIAQQQPETO-ZDUSSCGKSA-N 2 2 278.400 1.269 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001266007492 944626586 /nfs/dbraw/zinc/62/65/86/944626586.db2.gz ZIGGAQJPGJNXCM-UKRRQHHQSA-N 2 2 290.411 1.888 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479738691 971390852 /nfs/dbraw/zinc/39/08/52/971390852.db2.gz IORGLDRQKLFRAC-AWEZNQCLSA-N 2 2 290.411 1.760 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001480762845 971870194 /nfs/dbraw/zinc/87/01/94/971870194.db2.gz BJGSKCZGZOKHAO-CYBMUJFWSA-N 2 2 298.390 1.764 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480773476 971872902 /nfs/dbraw/zinc/87/29/02/971872902.db2.gz IMRLHWHFDOVMQW-GFCCVEGCSA-N 2 2 278.400 1.597 10 30 CDEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001324943720 953650645 /nfs/dbraw/zinc/65/06/45/953650645.db2.gz LASXNRDOKNTIQF-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001324943720 953650655 /nfs/dbraw/zinc/65/06/55/953650655.db2.gz LASXNRDOKNTIQF-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001324943720 953650664 /nfs/dbraw/zinc/65/06/64/953650664.db2.gz LASXNRDOKNTIQF-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001324943720 953650673 /nfs/dbraw/zinc/65/06/73/953650673.db2.gz LASXNRDOKNTIQF-INIZCTEOSA-N 2 2 290.411 1.747 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001494042776 972166999 /nfs/dbraw/zinc/16/69/99/972166999.db2.gz LVCAKKXCKBMJTJ-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP CC#CC[N@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001494042776 972167005 /nfs/dbraw/zinc/16/70/05/972167005.db2.gz LVCAKKXCKBMJTJ-HNNXBMFYSA-N 2 2 288.395 1.125 10 30 CDEELP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317037187 957220737 /nfs/dbraw/zinc/22/07/37/957220737.db2.gz OENINEXVGOQRSC-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317037187 957220744 /nfs/dbraw/zinc/22/07/44/957220744.db2.gz OENINEXVGOQRSC-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317037187 957220752 /nfs/dbraw/zinc/22/07/52/957220752.db2.gz OENINEXVGOQRSC-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317037187 957220761 /nfs/dbraw/zinc/22/07/61/957220761.db2.gz OENINEXVGOQRSC-AWEZNQCLSA-N 2 2 288.395 1.146 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317167478 957317661 /nfs/dbraw/zinc/31/76/61/957317661.db2.gz USESJYRYXSIKET-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317167478 957317669 /nfs/dbraw/zinc/31/76/69/957317669.db2.gz USESJYRYXSIKET-ZIAGYGMSSA-N 2 2 290.411 1.603 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317195200 957336123 /nfs/dbraw/zinc/33/61/23/957336123.db2.gz NOJJZJABVRVUEJ-HNNXBMFYSA-N 2 2 290.411 1.889 10 30 CDEELP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001317383234 957445206 /nfs/dbraw/zinc/44/52/06/957445206.db2.gz BGIUEWLGVGOSDX-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001317383234 957445210 /nfs/dbraw/zinc/44/52/10/957445210.db2.gz BGIUEWLGVGOSDX-OAHLLOKOSA-N 2 2 288.395 1.219 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001425015368 957445584 /nfs/dbraw/zinc/44/55/84/957445584.db2.gz WDBCYFDTVHHQRW-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001425015368 957445587 /nfs/dbraw/zinc/44/55/87/957445587.db2.gz WDBCYFDTVHHQRW-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425015368 957445590 /nfs/dbraw/zinc/44/55/90/957445590.db2.gz WDBCYFDTVHHQRW-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425015368 957445593 /nfs/dbraw/zinc/44/55/93/957445593.db2.gz WDBCYFDTVHHQRW-DGCLKSJQSA-N 2 2 287.835 1.517 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332324572 957517344 /nfs/dbraw/zinc/51/73/44/957517344.db2.gz UABGRNQYVAFXDR-OLZOCXBDSA-N 2 2 276.384 1.403 10 30 CDEELP CC#CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001317558210 957551145 /nfs/dbraw/zinc/55/11/45/957551145.db2.gz HZVXRPWLSRSECZ-AWEZNQCLSA-N 2 2 288.395 1.438 10 30 CDEELP CC#CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001317558210 957551150 /nfs/dbraw/zinc/55/11/50/957551150.db2.gz HZVXRPWLSRSECZ-AWEZNQCLSA-N 2 2 288.395 1.438 10 30 CDEELP CC#CC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001332740318 957704059 /nfs/dbraw/zinc/70/40/59/957704059.db2.gz HNWWXAKKHOFMSM-UHFFFAOYSA-N 2 2 276.384 1.075 10 30 CDEELP CC#CC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001332740318 957704067 /nfs/dbraw/zinc/70/40/67/957704067.db2.gz HNWWXAKKHOFMSM-UHFFFAOYSA-N 2 2 276.384 1.075 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001318415799 958092504 /nfs/dbraw/zinc/09/25/04/958092504.db2.gz JZMALMBLPMOKEE-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001318415799 958092520 /nfs/dbraw/zinc/09/25/20/958092520.db2.gz JZMALMBLPMOKEE-CQSZACIVSA-N 2 2 290.411 1.462 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001322372530 960197151 /nfs/dbraw/zinc/19/71/51/960197151.db2.gz SJCLKLXGYUTYJQ-CABCVRRESA-N 2 2 290.411 1.724 10 30 CDEELP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001569561681 1169923887 /nfs/dbraw/zinc/92/38/87/1169923887.db2.gz XNYIHDGOPVQEPH-CYBMUJFWSA-N 2 2 288.395 1.291 10 30 CDEELP C=CCCC[N@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569651949 1169954315 /nfs/dbraw/zinc/95/43/15/1169954315.db2.gz XXZPZQKXDDQQBJ-INIZCTEOSA-N 2 2 290.411 1.807 10 30 CDEELP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569651949 1169954320 /nfs/dbraw/zinc/95/43/20/1169954320.db2.gz XXZPZQKXDDQQBJ-INIZCTEOSA-N 2 2 290.411 1.807 10 30 CDEELP C#CCC[N@@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498284705 973810106 /nfs/dbraw/zinc/81/01/06/973810106.db2.gz XWBNHHDDMRCKNT-ZDUSSCGKSA-N 2 2 298.390 1.716 10 30 CDEELP C#CCC[N@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498284705 973810113 /nfs/dbraw/zinc/81/01/13/973810113.db2.gz XWBNHHDDMRCKNT-ZDUSSCGKSA-N 2 2 298.390 1.716 10 30 CDEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001498847160 974076020 /nfs/dbraw/zinc/07/60/20/974076020.db2.gz OQYVFPBDQXFZQL-GFCCVEGCSA-N 2 2 262.357 1.013 10 30 CDEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001569724427 1169977073 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CDEELP C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001674140696 1173916944 /nfs/dbraw/zinc/91/69/44/1173916944.db2.gz IBVGNLVTLKCURG-GJZGRUSLSA-N 2 2 288.395 1.266 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001571465598 1170440446 /nfs/dbraw/zinc/44/04/46/1170440446.db2.gz HSSNPLSNRAWJNL-UONOGXRCSA-N 2 2 290.411 1.806 10 30 CDEELP CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000591665481 342641076 /nfs/dbraw/zinc/64/10/76/342641076.db2.gz ZWYVCUAWWWNFQW-MJBXVCDLSA-N 2 2 265.401 1.504 10 30 CDEELP CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000591665481 342641077 /nfs/dbraw/zinc/64/10/77/342641077.db2.gz ZWYVCUAWWWNFQW-MJBXVCDLSA-N 2 2 265.401 1.504 10 30 CDEELP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723286 342244939 /nfs/dbraw/zinc/24/49/39/342244939.db2.gz KJLFNDXJIDWNGY-UONOGXRCSA-N 2 2 265.401 1.505 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000600756756 342247707 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C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001268066385 901087127 /nfs/dbraw/zinc/08/71/27/901087127.db2.gz NJEUCGNCKSYLTB-LBPRGKRZSA-N 2 2 264.373 1.355 10 30 CDEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001268167293 901488239 /nfs/dbraw/zinc/48/82/39/901488239.db2.gz RFPOALJCHWLHQW-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481744459 902000484 /nfs/dbraw/zinc/00/04/84/902000484.db2.gz MKXKABMVNFKKFB-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001481744459 902000501 /nfs/dbraw/zinc/00/05/01/902000501.db2.gz MKXKABMVNFKKFB-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481744459 902000520 /nfs/dbraw/zinc/00/05/20/902000520.db2.gz MKXKABMVNFKKFB-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481744459 902000535 /nfs/dbraw/zinc/00/05/35/902000535.db2.gz MKXKABMVNFKKFB-ZFWWWQNUSA-N 2 2 290.411 1.697 10 30 CDEELP C=CCC[NH2+]CCN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268458167 902164437 /nfs/dbraw/zinc/16/44/37/902164437.db2.gz GFCCUUMQKYKXNP-UHFFFAOYSA-N 2 2 292.427 1.941 10 30 CDEELP C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268656272 902908812 /nfs/dbraw/zinc/90/88/12/902908812.db2.gz PPIPFOFXCBZZGH-CYBMUJFWSA-N 2 2 284.363 1.766 10 30 CDEELP C=C(Cl)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001268915959 903243089 /nfs/dbraw/zinc/24/30/89/903243089.db2.gz UPZMZDRESJRICE-UHFFFAOYSA-N 2 2 284.791 1.153 10 30 CDEELP C#CCC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483497602 911200606 /nfs/dbraw/zinc/20/06/06/911200606.db2.gz URFTXHLMPAXOPK-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP C#CCC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483497602 911200623 /nfs/dbraw/zinc/20/06/23/911200623.db2.gz URFTXHLMPAXOPK-CYBMUJFWSA-N 2 2 276.384 1.050 10 30 CDEELP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001484104048 915437023 /nfs/dbraw/zinc/43/70/23/915437023.db2.gz IDVZBHNOJILCLR-MRXNPFEDSA-N 2 2 290.411 1.367 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485040423 916418440 /nfs/dbraw/zinc/41/84/40/916418440.db2.gz AVHYDKOLTPUCTJ-AWEZNQCLSA-N 2 2 290.411 1.889 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001274430899 931499516 /nfs/dbraw/zinc/49/95/16/931499516.db2.gz TVPFMCZEIUIAAO-MUBLQREKSA-N 2 2 276.384 1.426 10 30 CDEELP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001274430899 931499517 /nfs/dbraw/zinc/49/95/17/931499517.db2.gz TVPFMCZEIUIAAO-MUBLQREKSA-N 2 2 276.384 1.426 10 30 CDEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265088171 944226301 /nfs/dbraw/zinc/22/63/01/944226301.db2.gz AMPKPJWHIPFZJR-ZFWWWQNUSA-N 2 2 288.395 1.335 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001325469373 953915939 /nfs/dbraw/zinc/91/59/39/953915939.db2.gz XYLAEXFJHXLIDC-JSGCOSHPSA-N 2 2 290.411 1.663 10 30 CDEELP C=CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001493380483 972039592 /nfs/dbraw/zinc/03/95/92/972039592.db2.gz SLLQQMIVZQRZTQ-ZIAGYGMSSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001493380483 972039602 /nfs/dbraw/zinc/03/96/02/972039602.db2.gz SLLQQMIVZQRZTQ-ZIAGYGMSSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001493380483 972039609 /nfs/dbraw/zinc/03/96/09/972039609.db2.gz SLLQQMIVZQRZTQ-ZIAGYGMSSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001493380483 972039617 /nfs/dbraw/zinc/03/96/17/972039617.db2.gz SLLQQMIVZQRZTQ-ZIAGYGMSSA-N 2 2 288.395 1.670 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480646939 955012477 /nfs/dbraw/zinc/01/24/77/955012477.db2.gz XIFSAFAHWGSAIE-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480646939 955012490 /nfs/dbraw/zinc/01/24/90/955012490.db2.gz XIFSAFAHWGSAIE-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001491942273 955536664 /nfs/dbraw/zinc/53/66/64/955536664.db2.gz CWXOBLVGNZAVEA-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001491942273 955536675 /nfs/dbraw/zinc/53/66/75/955536675.db2.gz CWXOBLVGNZAVEA-OAHLLOKOSA-N 2 2 290.411 1.772 10 30 CDEELP C=CC[NH2+][C@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001329765332 956102583 /nfs/dbraw/zinc/10/25/83/956102583.db2.gz NLTRSPZXGRYACS-CQSZACIVSA-N 2 2 292.427 1.909 10 30 CDEELP C#CCC[NH2+][C@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001331439873 957059415 /nfs/dbraw/zinc/05/94/15/957059415.db2.gz PBAZSMLZQFOQAB-CYBMUJFWSA-N 2 2 298.390 1.716 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316879968 957087120 /nfs/dbraw/zinc/08/71/20/957087120.db2.gz ZASMJXPTNBVTCE-DZGCQCFKSA-N 2 2 288.395 1.335 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316879968 957087131 /nfs/dbraw/zinc/08/71/31/957087131.db2.gz ZASMJXPTNBVTCE-DZGCQCFKSA-N 2 2 288.395 1.335 10 30 CDEELP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317061328 957236422 /nfs/dbraw/zinc/23/64/22/957236422.db2.gz YFOQOJAAEKXTDN-GJZGRUSLSA-N 2 2 290.411 1.847 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001317199245 957338498 /nfs/dbraw/zinc/33/84/98/957338498.db2.gz QQFCGKWPWXEKRL-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001319008509 958336216 /nfs/dbraw/zinc/33/62/16/958336216.db2.gz DNJOBTHHHZRTPW-UHFFFAOYSA-N 2 2 284.363 1.475 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001324236041 961255157 /nfs/dbraw/zinc/25/51/57/961255157.db2.gz NSGIWMINRIBYCB-HUUCEWRRSA-N 2 2 290.411 1.991 10 30 CDEELP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001501826758 974646641 /nfs/dbraw/zinc/64/66/41/974646641.db2.gz GGAKKBFGJJOGTJ-CABCVRRESA-N 2 2 297.443 1.110 10 30 CDEELP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001501826758 974646644 /nfs/dbraw/zinc/64/66/44/974646644.db2.gz GGAKKBFGJJOGTJ-CABCVRRESA-N 2 2 297.443 1.110 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001676375064 1174216145 /nfs/dbraw/zinc/21/61/45/1174216145.db2.gz DKVMLMYRJUWMGD-KGLIPLIRSA-N 2 2 290.411 1.458 10 30 CDEELP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001676878988 1174286220 /nfs/dbraw/zinc/28/62/20/1174286220.db2.gz KFPISVCWXBJHPF-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001676878988 1174286226 /nfs/dbraw/zinc/28/62/26/1174286226.db2.gz KFPISVCWXBJHPF-HUUCEWRRSA-N 2 2 290.411 1.818 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001676963833 1174300008 /nfs/dbraw/zinc/30/00/08/1174300008.db2.gz CDFHKALMTCFWFJ-UONOGXRCSA-N 2 2 290.411 1.413 10 30 CDEELP N#Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000592485654 342695779 /nfs/dbraw/zinc/69/57/79/342695779.db2.gz VCPFUIAZRNPEOL-QEJZJMRPSA-N 2 2 256.353 1.512 10 30 CDEELP N#Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000592485654 342695781 /nfs/dbraw/zinc/69/57/81/342695781.db2.gz VCPFUIAZRNPEOL-QEJZJMRPSA-N 2 2 256.353 1.512 10 30 CDEELP C[N@H+](CC[NH2+]C[C@H](O)CC1(C#N)CC1)Cc1ccccc1 ZINC000600722177 342244877 /nfs/dbraw/zinc/24/48/77/342244877.db2.gz YVAALWKASCXTAA-MRXNPFEDSA-N 2 2 287.407 1.763 10 30 CDEELP C[N@@H+](CC[NH2+]C[C@H](O)CC1(C#N)CC1)Cc1ccccc1 ZINC000600722177 342244878 /nfs/dbraw/zinc/24/48/78/342244878.db2.gz YVAALWKASCXTAA-MRXNPFEDSA-N 2 2 287.407 1.763 10 30 CDEELP N#CC1(C[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000600739379 342246692 /nfs/dbraw/zinc/24/66/92/342246692.db2.gz BWNACQFXLUAGHB-CYBMUJFWSA-N 2 2 274.368 1.364 10 30 CDEELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000597250272 343498748 /nfs/dbraw/zinc/49/87/48/343498748.db2.gz UWSXLACYTPIDQR-UHFFFAOYSA-N 2 2 271.324 1.207 10 30 CDEELP C=C[C@H](C(=O)OC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000619716227 349866948 /nfs/dbraw/zinc/86/69/48/349866948.db2.gz BLZKTBLFAWAEOW-CQSZACIVSA-N 2 2 268.401 1.768 10 30 CDEELP C[N@@H+]1CCN(c2ccc(C#N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000226621333 346520634 /nfs/dbraw/zinc/52/06/34/346520634.db2.gz JZBCTEOMPCWZGP-LBPRGKRZSA-N 2 2 264.760 1.291 10 30 CDEELP C[N@H+]1CCN(c2ccc(C#N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000226621333 346520636 /nfs/dbraw/zinc/52/06/36/346520636.db2.gz JZBCTEOMPCWZGP-LBPRGKRZSA-N 2 2 264.760 1.291 10 30 CDEELP Cn1cc[nH+]c1-c1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000170591514 364097679 /nfs/dbraw/zinc/09/76/79/364097679.db2.gz PHJBMMPJILXDDQ-UHFFFAOYSA-N 2 2 299.378 1.234 10 30 CDEELP C=CCOc1ccccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131410985 369064517 /nfs/dbraw/zinc/06/45/17/369064517.db2.gz MNOBMKOHKJVNLF-MRXNPFEDSA-N 2 2 278.396 1.654 10 30 CDEELP C=C(C)[C@@H](CO)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984467 373897929 /nfs/dbraw/zinc/89/79/29/373897929.db2.gz VTVUEDSBBNVSKW-CQSZACIVSA-N 2 2 252.402 1.874 10 30 CDEELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000162720319 375497719 /nfs/dbraw/zinc/49/77/19/375497719.db2.gz ZYJNXVZORWPFIC-MRXNPFEDSA-N 2 2 299.422 1.560 10 30 CDEELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000162720319 375497726 /nfs/dbraw/zinc/49/77/26/375497726.db2.gz ZYJNXVZORWPFIC-MRXNPFEDSA-N 2 2 299.422 1.560 10 30 CDEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336358 375503207 /nfs/dbraw/zinc/50/32/07/375503207.db2.gz OSSPTQAFQFLIAK-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336358 375503214 /nfs/dbraw/zinc/50/32/14/375503214.db2.gz OSSPTQAFQFLIAK-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336358 375503219 /nfs/dbraw/zinc/50/32/19/375503219.db2.gz OSSPTQAFQFLIAK-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC[C@H]21 ZINC000227336358 375503225 /nfs/dbraw/zinc/50/32/25/375503225.db2.gz OSSPTQAFQFLIAK-GOEBONIOSA-N 2 2 270.380 1.869 10 30 CDEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001662711445 1172585852 /nfs/dbraw/zinc/58/58/52/1172585852.db2.gz JQROZDIDUOSWFQ-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)c(C#N)c(C)[nH+]1 ZINC000157433080 390816850 /nfs/dbraw/zinc/81/68/50/390816850.db2.gz BYQISSNBDBPKJA-ZDUSSCGKSA-N 2 2 258.369 1.958 10 30 CDEELP Cc1cc(N(C)C[C@H]2CC[N@@H+](C)C2)c(C#N)c(C)[nH+]1 ZINC000157433080 390816855 /nfs/dbraw/zinc/81/68/55/390816855.db2.gz BYQISSNBDBPKJA-ZDUSSCGKSA-N 2 2 258.369 1.958 10 30 CDEELP CCC[NH+]1CCN(CCC[C@](C)(C#N)[NH2+]C)CC1 ZINC000045306437 175355839 /nfs/dbraw/zinc/35/58/39/175355839.db2.gz IELDARDHHQYFEF-CQSZACIVSA-N 2 2 252.406 1.296 10 30 CDEELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000071146683 176042619 /nfs/dbraw/zinc/04/26/19/176042619.db2.gz IVDPPABTKVSUJL-CYBMUJFWSA-N 2 2 272.352 1.038 10 30 CDEELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000071146683 176042621 /nfs/dbraw/zinc/04/26/21/176042621.db2.gz IVDPPABTKVSUJL-CYBMUJFWSA-N 2 2 272.352 1.038 10 30 CDEELP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001669596207 1173574284 /nfs/dbraw/zinc/57/42/84/1173574284.db2.gz YXJNMSUYVDRDNY-KBPBESRZSA-N 2 2 290.411 1.506 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001669973165 1173638954 /nfs/dbraw/zinc/63/89/54/1173638954.db2.gz FWGJHZCKIXRRIG-HIFRSBDPSA-N 2 2 290.411 1.793 10 30 CDEELP N#Cc1csc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000579531693 324210087 /nfs/dbraw/zinc/21/00/87/324210087.db2.gz FRYCMTAUCHZREG-SECBINFHSA-N 2 2 259.338 1.316 10 30 CDEELP N#CC1(C[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000528396665 328694942 /nfs/dbraw/zinc/69/49/42/328694942.db2.gz OTZZPBJEPDMMNE-CQSZACIVSA-N 2 2 274.368 1.575 10 30 CDEELP CC[NH+]=C(NCC1CCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262500381 330017931 /nfs/dbraw/zinc/01/79/31/330017931.db2.gz YCGJZYNTSJAHKO-HNNXBMFYSA-N 2 2 294.443 1.159 10 30 CDEELP C=CC[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000521895852 333196668 /nfs/dbraw/zinc/19/66/68/333196668.db2.gz HVPAMQYOALEPGE-UHFFFAOYSA-N 2 2 265.401 1.095 10 30 CDEELP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247256104 334278226 /nfs/dbraw/zinc/27/82/26/334278226.db2.gz UWZLALGTVJFIDN-LSDHHAIUSA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247256104 334278227 /nfs/dbraw/zinc/27/82/27/334278227.db2.gz UWZLALGTVJFIDN-LSDHHAIUSA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247256104 334278228 /nfs/dbraw/zinc/27/82/28/334278228.db2.gz UWZLALGTVJFIDN-LSDHHAIUSA-N 2 2 294.443 1.411 10 30 CDEELP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247256104 334278229 /nfs/dbraw/zinc/27/82/29/334278229.db2.gz UWZLALGTVJFIDN-LSDHHAIUSA-N 2 2 294.443 1.411 10 30 CDEELP N#Cc1csc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000177689525 482423557 /nfs/dbraw/zinc/42/35/57/482423557.db2.gz ZWOCGKVSSMHTAJ-ZDUSSCGKSA-N 2 2 279.409 1.556 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482884141 1160640052 /nfs/dbraw/zinc/64/00/52/1160640052.db2.gz HQODRLHEILEUTJ-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001731787182 1182581126 /nfs/dbraw/zinc/58/11/26/1182581126.db2.gz LEPXKGBHJPMFOT-GFCCVEGCSA-N 2 2 264.373 1.212 10 30 CDEELP CC[C@H]1CC[C@@H](C#N)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061644282 523178173 /nfs/dbraw/zinc/17/81/73/523178173.db2.gz YZIWNCYHNWVXOR-YESZJQIVSA-N 2 2 292.471 1.884 10 30 CDEELP CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609361 523498614 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C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691184040 1158950062 /nfs/dbraw/zinc/95/00/62/1158950062.db2.gz XUUBQAYUYUCJTH-ZIAGYGMSSA-N 2 2 290.411 1.918 10 30 CDEELP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691184040 1158950064 /nfs/dbraw/zinc/95/00/64/1158950064.db2.gz XUUBQAYUYUCJTH-ZIAGYGMSSA-N 2 2 290.411 1.918 10 30 CDEELP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691184040 1158950066 /nfs/dbraw/zinc/95/00/66/1158950066.db2.gz XUUBQAYUYUCJTH-ZIAGYGMSSA-N 2 2 290.411 1.918 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001567232935 1168631364 /nfs/dbraw/zinc/63/13/64/1168631364.db2.gz HPFXIIGVXXUPBY-NWDGAFQWSA-N 2 2 264.373 1.259 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001567232935 1168631367 /nfs/dbraw/zinc/63/13/67/1168631367.db2.gz HPFXIIGVXXUPBY-NWDGAFQWSA-N 2 2 264.373 1.259 10 30 CDEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567275234 1168650794 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CDEELP C=CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001690457782 1175475796 /nfs/dbraw/zinc/47/57/96/1175475796.db2.gz RIPRRWBDERYHRA-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001690457782 1175475802 /nfs/dbraw/zinc/47/58/02/1175475802.db2.gz RIPRRWBDERYHRA-ZDUSSCGKSA-N 2 2 276.384 1.119 10 30 CDEELP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001698731020 1175906707 /nfs/dbraw/zinc/90/67/07/1175906707.db2.gz MUFODQKOYLZFAQ-CYBMUJFWSA-N 2 2 282.347 1.162 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001698772692 1175926499 /nfs/dbraw/zinc/92/64/99/1175926499.db2.gz MKGCSFQHGREVLJ-LLVKDONJSA-N 2 2 264.373 1.179 10 30 CDEELP CC#CC[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001699769063 1176616312 /nfs/dbraw/zinc/61/63/12/1176616312.db2.gz BAQBKPKVSXLCIZ-UHFFFAOYSA-N 2 2 288.395 1.267 10 30 CDEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001699859439 1176659659 /nfs/dbraw/zinc/65/96/59/1176659659.db2.gz RDHSZTMWVUDEEL-OAHLLOKOSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001700140029 1176766664 /nfs/dbraw/zinc/76/66/64/1176766664.db2.gz AABKLAYGLJOQJQ-UHFFFAOYSA-N 2 2 276.384 1.465 10 30 CDEELP C=C(C)CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001700698506 1177079835 /nfs/dbraw/zinc/07/98/35/1177079835.db2.gz SEGXVEUKESHGBG-UHFFFAOYSA-N 2 2 290.411 1.772 10 30 CDEELP C=C(C)CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001700698506 1177079846 /nfs/dbraw/zinc/07/98/46/1177079846.db2.gz SEGXVEUKESHGBG-UHFFFAOYSA-N 2 2 290.411 1.772 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001713120424 1178380208 /nfs/dbraw/zinc/38/02/08/1178380208.db2.gz BBYWEXDVJFWQOX-HIFRSBDPSA-N 2 2 288.395 1.342 10 30 CDEELP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001713411001 1178544968 /nfs/dbraw/zinc/54/49/68/1178544968.db2.gz RVFAASQLISBHGM-OLZOCXBDSA-N 2 2 276.384 1.116 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001713467360 1178584081 /nfs/dbraw/zinc/58/40/81/1178584081.db2.gz JOBFJOWOYBRTRP-CHWSQXEVSA-N 2 2 276.384 1.148 10 30 CDEELP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001713467360 1178584086 /nfs/dbraw/zinc/58/40/86/1178584086.db2.gz JOBFJOWOYBRTRP-CHWSQXEVSA-N 2 2 276.384 1.148 10 30 CDEELP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001713868263 1178803273 /nfs/dbraw/zinc/80/32/73/1178803273.db2.gz KACGMSOOHHSWIX-KBPBESRZSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713932253 1178859580 /nfs/dbraw/zinc/85/95/80/1178859580.db2.gz FNBAKFQIYGIMJR-CABCVRRESA-N 2 2 290.411 1.991 10 30 CDEELP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714109903 1178978101 /nfs/dbraw/zinc/97/81/01/1178978101.db2.gz RUMMNFHYHHBNHM-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714109903 1178978105 /nfs/dbraw/zinc/97/81/05/1178978105.db2.gz RUMMNFHYHHBNHM-CQSZACIVSA-N 2 2 276.384 1.430 10 30 CDEELP C#CCC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001714139255 1178988120 /nfs/dbraw/zinc/98/81/20/1178988120.db2.gz MAZMKZBALCGUPC-UHFFFAOYSA-N 2 2 288.395 1.315 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714865266 1179427524 /nfs/dbraw/zinc/42/75/24/1179427524.db2.gz JNBLBDFSDNSLBW-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714865266 1179427528 /nfs/dbraw/zinc/42/75/28/1179427528.db2.gz JNBLBDFSDNSLBW-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714865266 1179427530 /nfs/dbraw/zinc/42/75/30/1179427530.db2.gz JNBLBDFSDNSLBW-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714865266 1179427534 /nfs/dbraw/zinc/42/75/34/1179427534.db2.gz JNBLBDFSDNSLBW-ZDUSSCGKSA-N 2 2 276.384 1.357 10 30 CDEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001714883089 1179435574 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ZINC001731787182 1182581116 /nfs/dbraw/zinc/58/11/16/1182581116.db2.gz LEPXKGBHJPMFOT-GFCCVEGCSA-N 2 2 264.373 1.212 10 30 CDEELP C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001731787182 1182581121 /nfs/dbraw/zinc/58/11/21/1182581121.db2.gz LEPXKGBHJPMFOT-GFCCVEGCSA-N 2 2 264.373 1.212 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001732204068 1182854511 /nfs/dbraw/zinc/85/45/11/1182854511.db2.gz UNCQLSWFJDKFQB-IJLUTSLNSA-N 2 2 262.357 1.184 10 30 CDEELP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001732204068 1182854523 /nfs/dbraw/zinc/85/45/23/1182854523.db2.gz UNCQLSWFJDKFQB-IJLUTSLNSA-N 2 2 262.357 1.184 10 30 CDEELP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001732749590 1183107503 /nfs/dbraw/zinc/10/75/03/1183107503.db2.gz KTINJKBERDSGQL-LBPRGKRZSA-N 2 2 298.818 1.590 10 30 CDEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001733174684 1183316682 /nfs/dbraw/zinc/31/66/82/1183316682.db2.gz MAUDVFLLTWZNOH-UKRRQHHQSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733405084 1183422813 /nfs/dbraw/zinc/42/28/13/1183422813.db2.gz FELMCLFHLFYNMH-MRXNPFEDSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733405084 1183422815 /nfs/dbraw/zinc/42/28/15/1183422815.db2.gz FELMCLFHLFYNMH-MRXNPFEDSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733405084 1183422816 /nfs/dbraw/zinc/42/28/16/1183422816.db2.gz FELMCLFHLFYNMH-MRXNPFEDSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733405084 1183422817 /nfs/dbraw/zinc/42/28/17/1183422817.db2.gz FELMCLFHLFYNMH-MRXNPFEDSA-N 2 2 290.411 1.889 10 30 CDEELP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001734476801 1183794373 /nfs/dbraw/zinc/79/43/73/1183794373.db2.gz PKXSNVKDKNDDHO-UONOGXRCSA-N 2 2 290.411 1.793 10 30 CDEELP 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CDEELP CNC(NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)=[NH+]C ZINC000864357407 850315305 /nfs/dbraw/zinc/31/53/05/850315305.db2.gz WAZHRBPOPOAECK-ZDUSSCGKSA-N 2 2 276.384 1.064 10 30 CDEELP CNC(NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)=[NH+]C ZINC000864357407 850315310 /nfs/dbraw/zinc/31/53/10/850315310.db2.gz WAZHRBPOPOAECK-ZDUSSCGKSA-N 2 2 276.384 1.064 10 30 CDEELP C=CC[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001566878735 1168452440 /nfs/dbraw/zinc/45/24/40/1168452440.db2.gz SRHYTVOMZRVACN-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001566878735 1168452461 /nfs/dbraw/zinc/45/24/61/1168452461.db2.gz SRHYTVOMZRVACN-LSDHHAIUSA-N 2 2 290.411 1.848 10 30 CDEELP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001567170576 1168606144 /nfs/dbraw/zinc/60/61/44/1168606144.db2.gz XRDKPOVQAOKGAX-UONOGXRCSA-N 2 2 276.384 1.476 10 30 CDEELP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001266984814 896498829 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C=CCCC[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267584160 898556416 /nfs/dbraw/zinc/55/64/16/898556416.db2.gz VKYNSBSDFMRCBV-CQSZACIVSA-N 2 2 290.411 1.747 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481127115 898942121 /nfs/dbraw/zinc/94/21/21/898942121.db2.gz ZJEFZNGFRDTHNS-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481127115 898942133 /nfs/dbraw/zinc/94/21/33/898942133.db2.gz ZJEFZNGFRDTHNS-CABCVRRESA-N 2 2 290.411 1.676 10 30 CDEELP CC#CC[NH2+]C[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001268015253 900299803 /nfs/dbraw/zinc/29/98/03/900299803.db2.gz JCOZRNGMCFBIJE-CQSZACIVSA-N 2 2 276.384 1.029 10 30 CDEELP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481409083 900577395 /nfs/dbraw/zinc/57/73/95/900577395.db2.gz WISDENOSXFWMGP-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481409083 900577398 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WONVARFFKRKMOD-GJZGRUSLSA-N 2 2 290.411 1.724 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cnn(CCOC)c2)CC1 ZINC001649106886 1161380280 /nfs/dbraw/zinc/38/02/80/1161380280.db2.gz NEUBFETYIPRZLU-UHFFFAOYSA-N 2 2 278.400 1.270 10 30 CDEELP CC(C)CN(CC[NH+](C)C)C[C@@]([NH3+])(C#N)C1CC1 ZINC000069079221 519716305 /nfs/dbraw/zinc/71/63/05/519716305.db2.gz AHOGHXCGEDDEDI-AWEZNQCLSA-N 2 2 252.406 1.137 10 30 CDEELP N#C[C@]([NH3+])(CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069083370 526515008 /nfs/dbraw/zinc/51/50/08/526515008.db2.gz BWZGLQYCGQFRQN-GJZGRUSLSA-N 2 2 262.401 1.178 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000764287715 575897232 /nfs/dbraw/zinc/89/72/32/575897232.db2.gz LKODXLBWKWIJIG-UHFFFAOYSA-N 2 2 288.395 1.284 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941131204 613327932 /nfs/dbraw/zinc/32/79/32/613327932.db2.gz XPZUAPHTZAZOQF-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941131204 613327934 /nfs/dbraw/zinc/32/79/34/613327934.db2.gz XPZUAPHTZAZOQF-CYBMUJFWSA-N 2 2 290.411 1.745 10 30 CDEELP C#CC[NH+]1CCC(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898901040 621936286 /nfs/dbraw/zinc/93/62/86/621936286.db2.gz CDNAQVXDMNRCPV-UHFFFAOYSA-N 2 2 288.395 1.080 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670712538 1158713685 /nfs/dbraw/zinc/71/36/85/1158713685.db2.gz AUTWBTCPDDXIHT-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001670712538 1158713689 /nfs/dbraw/zinc/71/36/89/1158713689.db2.gz AUTWBTCPDDXIHT-ZIAGYGMSSA-N 2 2 290.411 1.508 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267147616 1159138782 /nfs/dbraw/zinc/13/87/82/1159138782.db2.gz CGFIMARFLZFKBB-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267147616 1159138784 /nfs/dbraw/zinc/13/87/84/1159138784.db2.gz CGFIMARFLZFKBB-QWHCGFSZSA-N 2 2 276.384 1.096 10 30 CDEELP C#CCC[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001483480161 1160928605 /nfs/dbraw/zinc/92/86/05/1160928605.db2.gz SXFILBPRKAGWOA-UHFFFAOYSA-N 2 2 284.363 1.409 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001274736813 1166645822 /nfs/dbraw/zinc/64/58/22/1166645822.db2.gz SVWISVITWPLEFT-ZDUSSCGKSA-N 2 2 292.427 1.987 10 30 CDEELP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001566125085 1168243486 /nfs/dbraw/zinc/24/34/86/1168243486.db2.gz UBWIAOXVGWGHEC-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001566941033 1168476115 /nfs/dbraw/zinc/47/61/15/1168476115.db2.gz YSSQZZVTGRLFKD-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001566941033 1168476120 /nfs/dbraw/zinc/47/61/20/1168476120.db2.gz YSSQZZVTGRLFKD-MGPQQGTHSA-N 2 2 288.395 1.670 10 30 CDEELP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001662789733 1172594582 /nfs/dbraw/zinc/59/45/82/1172594582.db2.gz ASRKLTWKBHYFNP-KGLIPLIRSA-N 2 2 288.395 1.003 10 30 CDEELP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001665850078 1173073208 /nfs/dbraw/zinc/07/32/08/1173073208.db2.gz MVTZMWBPMJDVGL-MGPQQGTHSA-N 2 2 290.411 1.584 10 30 CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001674931719 1174038876 /nfs/dbraw/zinc/03/88/76/1174038876.db2.gz NWGRWRVRQVWABP-CYBMUJFWSA-N 2 2 290.411 1.384 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001674931719 1174038881 /nfs/dbraw/zinc/03/88/81/1174038881.db2.gz NWGRWRVRQVWABP-CYBMUJFWSA-N 2 2 290.411 1.384 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001675837338 1174154016 /nfs/dbraw/zinc/15/40/16/1174154016.db2.gz RGRFICWGUNDFOV-KKUMJFAQSA-N 2 2 290.411 1.722 10 30 CDEELP C#CC[NH2+]CCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001675921199 1174166353 /nfs/dbraw/zinc/16/63/53/1174166353.db2.gz VPNKBZOVHGEWDO-GFCCVEGCSA-N 2 2 284.363 1.684 10 30 CDEELP CC#CC[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001690544534 1175490842 /nfs/dbraw/zinc/49/08/42/1175490842.db2.gz RNVKHKVKMOUBSR-UHFFFAOYSA-N 2 2 288.395 1.301 10 30 CDEELP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699751825 1176607847 /nfs/dbraw/zinc/60/78/47/1176607847.db2.gz IDJJCULITFENLR-UONOGXRCSA-N 2 2 288.395 1.212 10 30 CDEELP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700380619 1176886694 /nfs/dbraw/zinc/88/66/94/1176886694.db2.gz QRHQCDDHRYEPKA-IYXRBSQSSA-N 2 2 290.411 1.791 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001714278195 1179061126 /nfs/dbraw/zinc/06/11/26/1179061126.db2.gz INUGISOKUVDQEZ-KGLIPLIRSA-N 2 2 278.400 1.895 10 30 CDEELP C=CCC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001714321743 1179083688 /nfs/dbraw/zinc/08/36/88/1179083688.db2.gz APESDNCNOMAWKD-UHFFFAOYSA-N 2 2 298.390 1.934 10 30 CDEELP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001714535769 1179192068 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C#CCC[NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21 ZINC001716320356 1180152717 /nfs/dbraw/zinc/15/27/17/1180152717.db2.gz CWNXGUQAVQNOKI-PLNGDYQASA-N 2 2 282.347 1.233 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001716414098 1180193542 /nfs/dbraw/zinc/19/35/42/1180193542.db2.gz POHLZFHVDGVNHZ-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001716993630 1180495366 /nfs/dbraw/zinc/49/53/66/1180495366.db2.gz LZTJEYBAKPTWFS-QWHCGFSZSA-N 2 2 290.411 1.557 10 30 CDEELP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001717003034 1180498878 /nfs/dbraw/zinc/49/88/78/1180498878.db2.gz JXFFPNBUILRRLD-HDJSIYSDSA-N 2 2 288.395 1.098 10 30 CDEELP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001723470840 1181573020 /nfs/dbraw/zinc/57/30/20/1181573020.db2.gz PNZADAQHSLVJGL-IRXDYDNUSA-N 2 2 299.418 1.503 10 30 CDEELP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001723470840 1181573021 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ZINC001675009834 1174057555 /nfs/dbraw/zinc/05/75/55/1174057555.db2.gz PWWVNEMEYOPCOT-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001675009834 1174057562 /nfs/dbraw/zinc/05/75/62/1174057562.db2.gz PWWVNEMEYOPCOT-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001675009834 1174057569 /nfs/dbraw/zinc/05/75/69/1174057569.db2.gz PWWVNEMEYOPCOT-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001675009834 1174057576 /nfs/dbraw/zinc/05/75/76/1174057576.db2.gz PWWVNEMEYOPCOT-CHWSQXEVSA-N 2 2 278.400 1.601 10 30 CDEELP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001676878975 1174284581 /nfs/dbraw/zinc/28/45/81/1174284581.db2.gz KDKPCCAUJBGZCL-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001676878975 1174284586 /nfs/dbraw/zinc/28/45/86/1174284586.db2.gz KDKPCCAUJBGZCL-HUUCEWRRSA-N 2 2 288.395 1.266 10 30 CDEELP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)Cn1cc[nH+]c1 ZINC000594440295 342907175 /nfs/dbraw/zinc/90/71/75/342907175.db2.gz BONLWYDDGDJATA-CHWSQXEVSA-N 2 2 277.372 1.047 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805951 365889989 /nfs/dbraw/zinc/88/99/89/365889989.db2.gz ADVFUCFQMWNHJV-ILXRZTDVSA-N 2 2 279.428 1.635 10 30 CDEELP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805951 365889993 /nfs/dbraw/zinc/88/99/93/365889993.db2.gz ADVFUCFQMWNHJV-ILXRZTDVSA-N 2 2 279.428 1.635 10 30 CDEELP CC#CC[NH2+]Cc1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000641094736 365043597 /nfs/dbraw/zinc/04/35/97/365043597.db2.gz BWVIYLQZRAZJIR-UHFFFAOYSA-N 2 2 269.352 1.451 10 30 CDEELP C=CCOc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131467775 369084283 /nfs/dbraw/zinc/08/42/83/369084283.db2.gz FLXUMSCBOUVPFC-MRXNPFEDSA-N 2 2 278.396 1.654 10 30 CDEELP C[C@@H](C[NH2+]Cc1nc(C#N)cs1)C[NH+]1CCCC1 ZINC000352854097 374361430 /nfs/dbraw/zinc/36/14/30/374361430.db2.gz PSZKCVOPUXGXEE-NSHDSACASA-N 2 2 264.398 1.836 10 30 CDEELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421327452 392931028 /nfs/dbraw/zinc/93/10/28/392931028.db2.gz QIHOWGZOQUFKHW-HNNXBMFYSA-N 2 2 291.370 1.898 10 30 CDEELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421327452 392931032 /nfs/dbraw/zinc/93/10/32/392931032.db2.gz QIHOWGZOQUFKHW-HNNXBMFYSA-N 2 2 291.370 1.898 10 30 CDEELP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001664443459 1172853623 /nfs/dbraw/zinc/85/36/23/1172853623.db2.gz VLGYVHJTSGBYOP-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001664443459 1172853633 /nfs/dbraw/zinc/85/36/33/1172853633.db2.gz VLGYVHJTSGBYOP-ZDUSSCGKSA-N 2 2 288.395 1.192 10 30 CDEELP C=CC[C@@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC[NH2+]1 ZINC000662690641 413318312 /nfs/dbraw/zinc/31/83/12/413318312.db2.gz DAVDSUJVIYRRHL-CJNGLKHVSA-N 2 2 288.395 1.814 10 30 CDEELP CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+](CC)CC1 ZINC000045178787 175324069 /nfs/dbraw/zinc/32/40/69/175324069.db2.gz LPPKAQDTACZVBH-CQSZACIVSA-N 2 2 252.406 1.296 10 30 CDEELP CCC[NH+]1CCN(CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045306456 175355403 /nfs/dbraw/zinc/35/54/03/175355403.db2.gz PARVGUIZMNXCES-CQSZACIVSA-N 2 2 252.406 1.425 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000045311473 175356197 /nfs/dbraw/zinc/35/61/97/175356197.db2.gz SLJMWNVMCFRVNL-OAHLLOKOSA-N 2 2 266.433 1.684 10 30 CDEELP CC[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000045321039 175359391 /nfs/dbraw/zinc/35/93/91/175359391.db2.gz HAUFBRZULMSSMX-MRXNPFEDSA-N 2 2 294.443 1.636 10 30 CDEELP C[N@H+](CCN1CC[NH2+]CC1)[C@@H](CC#N)c1ccccc1 ZINC000071150867 176045178 /nfs/dbraw/zinc/04/51/78/176045178.db2.gz LWCUIZQXCUCXQO-INIZCTEOSA-N 2 2 272.396 1.478 10 30 CDEELP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H](CC#N)c1ccccc1 ZINC000071150867 176045179 /nfs/dbraw/zinc/04/51/79/176045179.db2.gz LWCUIZQXCUCXQO-INIZCTEOSA-N 2 2 272.396 1.478 10 30 CDEELP C=CCCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001667632099 1173301431 /nfs/dbraw/zinc/30/14/31/1173301431.db2.gz VXNQXKPREZFCLQ-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=CCCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001667632099 1173301438 /nfs/dbraw/zinc/30/14/38/1173301438.db2.gz VXNQXKPREZFCLQ-UHFFFAOYSA-N 2 2 264.373 1.309 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001669872462 1173623109 /nfs/dbraw/zinc/62/31/09/1173623109.db2.gz FXJOSOKYRRIBAU-NSHDSACASA-N 2 2 261.797 1.127 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001669872462 1173623113 /nfs/dbraw/zinc/62/31/13/1173623113.db2.gz FXJOSOKYRRIBAU-NSHDSACASA-N 2 2 261.797 1.127 10 30 CDEELP C=CC[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000186698571 327700074 /nfs/dbraw/zinc/70/00/74/327700074.db2.gz NCADTBNXXRGUBE-GFCCVEGCSA-N 2 2 280.334 1.930 10 30 CDEELP C=CCOCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000378546277 329054494 /nfs/dbraw/zinc/05/44/94/329054494.db2.gz QBTYXLDVHFRGAS-UHFFFAOYSA-N 2 2 275.396 1.838 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000764052090 576776342 /nfs/dbraw/zinc/77/63/42/576776342.db2.gz JNCPEJYGDXFUSB-UHFFFAOYSA-N 2 2 272.352 1.111 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001688891867 1175055832 /nfs/dbraw/zinc/05/58/32/1175055832.db2.gz YWANMSADHDLYDN-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001688891867 1175055826 /nfs/dbraw/zinc/05/58/26/1175055826.db2.gz YWANMSADHDLYDN-GJZGRUSLSA-N 2 2 290.411 1.943 10 30 CDEELP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000903463407 625996410 /nfs/dbraw/zinc/99/64/10/625996410.db2.gz ADWBSWHMGHEZRC-OLZOCXBDSA-N 2 2 290.436 1.597 10 30 CDEELP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691368932 1159039810 /nfs/dbraw/zinc/03/98/10/1159039810.db2.gz FHUSFTFGSRNMDX-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267276557 1159227994 /nfs/dbraw/zinc/22/79/94/1159227994.db2.gz NXRHQRHFYZPUQA-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267276557 1159227995 /nfs/dbraw/zinc/22/79/95/1159227995.db2.gz NXRHQRHFYZPUQA-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=C[C@H](O)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001633803478 1166451799 /nfs/dbraw/zinc/45/17/99/1166451799.db2.gz ZVBOOIIRUXBXKB-LBPRGKRZSA-N 2 2 258.281 1.061 10 30 CDEELP C=CC[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001642868892 1167208449 /nfs/dbraw/zinc/20/84/49/1167208449.db2.gz ZVNLMIPKGIMOSA-UHFFFAOYSA-N 2 2 277.412 1.193 10 30 CDEELP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001569040493 1169608170 /nfs/dbraw/zinc/60/81/70/1169608170.db2.gz DMIWPYRMORALFT-OAHLLOKOSA-N 2 2 296.374 1.029 10 30 CDEELP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001569815306 1170004173 /nfs/dbraw/zinc/00/41/73/1170004173.db2.gz DTOVHZPICCZESN-ZIAGYGMSSA-N 2 2 276.384 1.286 10 30 CDEELP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001571129694 1170339117 /nfs/dbraw/zinc/33/91/17/1170339117.db2.gz MAXVVFDCJWIFJA-IHRRRGAJSA-N 2 2 288.395 1.116 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001571482294 1170448634 /nfs/dbraw/zinc/44/86/34/1170448634.db2.gz BYFYKYVKEYMUEU-CABCVRRESA-N 2 2 290.411 1.818 10 30 CDEELP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001674781573 1174010052 /nfs/dbraw/zinc/01/00/52/1174010052.db2.gz ZGAPGBRVKSVVHP-KGLIPLIRSA-N 2 2 276.384 1.169 10 30 CDEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001677598307 1174377378 /nfs/dbraw/zinc/37/73/78/1174377378.db2.gz BUYLBVGRMBZWSA-UHFFFAOYSA-N 2 2 285.819 1.439 10 30 CDEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001677598307 1174377382 /nfs/dbraw/zinc/37/73/82/1174377382.db2.gz BUYLBVGRMBZWSA-UHFFFAOYSA-N 2 2 285.819 1.439 10 30 CDEELP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698833172 1175954035 /nfs/dbraw/zinc/95/40/35/1175954035.db2.gz KAIMAMMARLJXQA-GFCCVEGCSA-N 2 2 284.363 1.636 10 30 CDEELP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001698846875 1175961713 /nfs/dbraw/zinc/96/17/13/1175961713.db2.gz DPLWGJIEWMOWOO-STQMWFEESA-N 2 2 278.400 1.743 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001698939188 1175989589 /nfs/dbraw/zinc/98/95/89/1175989589.db2.gz OSOWHMRDNXPSHE-HUUCEWRRSA-N 2 2 290.411 1.676 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699368968 1176324723 /nfs/dbraw/zinc/32/47/23/1176324723.db2.gz MJJFMGAJQWFVSI-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001699488823 1176443681 /nfs/dbraw/zinc/44/36/81/1176443681.db2.gz IIBQWRKFVYBSKL-LSDHHAIUSA-N 2 2 288.395 1.171 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001699765508 1176613842 /nfs/dbraw/zinc/61/38/42/1176613842.db2.gz DXAMQFLLSHQBLA-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001700493983 1176979940 /nfs/dbraw/zinc/97/99/40/1176979940.db2.gz HRWXEMFNRDGLBU-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001700493983 1176979944 /nfs/dbraw/zinc/97/99/44/1176979944.db2.gz HRWXEMFNRDGLBU-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001700493983 1176979949 /nfs/dbraw/zinc/97/99/49/1176979949.db2.gz HRWXEMFNRDGLBU-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001700493983 1176979952 /nfs/dbraw/zinc/97/99/52/1176979952.db2.gz HRWXEMFNRDGLBU-QWHCGFSZSA-N 2 2 276.384 1.048 10 30 CDEELP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001700845643 1177163737 /nfs/dbraw/zinc/16/37/37/1177163737.db2.gz ALMJGPLPEBMDOL-OCCSQVGLSA-N 2 2 276.384 1.497 10 30 CDEELP CC#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001701001252 1177233686 /nfs/dbraw/zinc/23/36/86/1177233686.db2.gz NNHRLQAPLBSDNH-ZDUSSCGKSA-N 2 2 276.384 1.027 10 30 CDEELP CC#CC[N@H+](CC)CCCNC(=O)CCn1cc[nH+]c1 ZINC001713019580 1178305663 /nfs/dbraw/zinc/30/56/63/1178305663.db2.gz NFTBXDOTKNCHNB-UHFFFAOYSA-N 2 2 276.384 1.125 10 30 CDEELP CC#CC[N@@H+](CC)CCCNC(=O)CCn1cc[nH+]c1 ZINC001713019580 1178305671 /nfs/dbraw/zinc/30/56/71/1178305671.db2.gz NFTBXDOTKNCHNB-UHFFFAOYSA-N 2 2 276.384 1.125 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713161727 1178405482 /nfs/dbraw/zinc/40/54/82/1178405482.db2.gz GMYLRJXURXMQOA-FDYHWXHSSA-N 2 2 274.368 1.326 10 30 CDEELP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001713161727 1178405484 /nfs/dbraw/zinc/40/54/84/1178405484.db2.gz GMYLRJXURXMQOA-FDYHWXHSSA-N 2 2 274.368 1.326 10 30 CDEELP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713202641 1178429995 /nfs/dbraw/zinc/42/99/95/1178429995.db2.gz KZUUPXKNURMOGA-MCIONIFRSA-N 2 2 274.368 1.094 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713950687 1178881628 /nfs/dbraw/zinc/88/16/28/1178881628.db2.gz BDQDYSJTNTVHJM-JOCQHMNTSA-N 2 2 262.357 1.155 10 30 CDEELP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713950687 1178881639 /nfs/dbraw/zinc/88/16/39/1178881639.db2.gz BDQDYSJTNTVHJM-JOCQHMNTSA-N 2 2 262.357 1.155 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001715455963 1179671158 /nfs/dbraw/zinc/67/11/58/1179671158.db2.gz NOYNSLMWPIDXET-LSDHHAIUSA-N 2 2 288.395 1.123 10 30 CDEELP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001715479396 1179678031 /nfs/dbraw/zinc/67/80/31/1179678031.db2.gz VBGGNHBVPQSSFC-ZFWWWQNUSA-N 2 2 290.411 1.745 10 30 CDEELP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001715745775 1179788917 /nfs/dbraw/zinc/78/89/17/1179788917.db2.gz NJDJKEAEDZCKKU-ZDUSSCGKSA-N 2 2 276.384 1.070 10 30 CDEELP C=C(C)C[NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C ZINC001715855650 1179874760 /nfs/dbraw/zinc/87/47/60/1179874760.db2.gz RNLPGRDUBWJWHC-PLNGDYQASA-N 2 2 276.384 1.191 10 30 CDEELP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001716067283 1180028857 /nfs/dbraw/zinc/02/88/57/1180028857.db2.gz ZOBXLZYDXIYPKY-ZIAGYGMSSA-N 2 2 276.384 1.334 10 30 CDEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001716994382 1180495230 /nfs/dbraw/zinc/49/52/30/1180495230.db2.gz ZQHPSWNTAHIYNH-KGLIPLIRSA-N 2 2 290.411 1.223 10 30 CDEELP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001717426741 1180666268 /nfs/dbraw/zinc/66/62/68/1180666268.db2.gz KKFQZUCYYXICIL-QWRGUYRKSA-N 2 2 250.346 1.011 10 30 CDEELP C#CC[NH2+][C@H](CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001717512902 1180718721 /nfs/dbraw/zinc/71/87/21/1180718721.db2.gz IYGCPLHBJRHAGE-OAHLLOKOSA-N 2 2 290.411 1.438 10 30 CDEELP C#CC[NH2+][C@H](CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001717512902 1180718727 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C#CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001329487000 955945394 /nfs/dbraw/zinc/94/53/94/955945394.db2.gz BEQVJTDRXVVYRF-CYBMUJFWSA-N 2 2 284.363 1.408 10 30 CDEELP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001331943569 957351246 /nfs/dbraw/zinc/35/12/46/957351246.db2.gz JGRYORDOQWTUGL-LSDHHAIUSA-N 2 2 290.411 1.818 10 30 CDEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317311362 957418044 /nfs/dbraw/zinc/41/80/44/957418044.db2.gz OVNZZVJYXPLKQC-ZDUSSCGKSA-N 2 2 262.357 1.040 10 30 CDEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317940045 957825006 /nfs/dbraw/zinc/82/50/06/957825006.db2.gz BESKPBCXZPOSTD-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317940045 957825019 /nfs/dbraw/zinc/82/50/19/957825019.db2.gz BESKPBCXZPOSTD-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP CC#CC[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318176294 957957506 /nfs/dbraw/zinc/95/75/06/957957506.db2.gz MTYDMURYUUSABA-QGZVFWFLSA-N 2 2 299.418 1.361 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001319361704 958517061 /nfs/dbraw/zinc/51/70/61/958517061.db2.gz LMKIFAUILWLTEP-CHWSQXEVSA-N 2 2 286.379 1.165 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001319361704 958517069 /nfs/dbraw/zinc/51/70/69/958517069.db2.gz LMKIFAUILWLTEP-CHWSQXEVSA-N 2 2 286.379 1.165 10 30 CDEELP C=CC(C)(C)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336159569 960230204 /nfs/dbraw/zinc/23/02/04/960230204.db2.gz ODMNZAFSMSDUKG-UHFFFAOYSA-N 2 2 296.459 1.701 10 30 CDEELP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001444558449 965874299 /nfs/dbraw/zinc/87/42/99/965874299.db2.gz GXRTWPNSGWEZKT-UHFFFAOYSA-N 2 2 299.846 1.615 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001349646819 966417692 /nfs/dbraw/zinc/41/76/92/966417692.db2.gz OZQGLEHNAUSHGM-UONOGXRCSA-N 2 2 291.395 1.792 10 30 CDEELP C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001349646819 966417699 /nfs/dbraw/zinc/41/76/99/966417699.db2.gz OZQGLEHNAUSHGM-UONOGXRCSA-N 2 2 291.395 1.792 10 30 CDEELP C=C(CC(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001519438155 970083527 /nfs/dbraw/zinc/08/35/27/970083527.db2.gz XQJLTCWKVLFNQZ-HNNXBMFYSA-N 2 2 293.455 1.873 10 30 CDEELP C=C(CC(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001519438155 970083539 /nfs/dbraw/zinc/08/35/39/970083539.db2.gz XQJLTCWKVLFNQZ-HNNXBMFYSA-N 2 2 293.455 1.873 10 30 CDEELP C=CCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001506674225 975201260 /nfs/dbraw/zinc/20/12/60/975201260.db2.gz WLRVTHCRVDEZDL-ZDUSSCGKSA-N 2 2 290.411 1.365 10 30 CDEELP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001569828920 1170009205 /nfs/dbraw/zinc/00/92/05/1170009205.db2.gz QEJWUFAJNDUVJT-GJZGRUSLSA-N 2 2 288.395 1.123 10 30 CDEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001676674907 1174254367 /nfs/dbraw/zinc/25/43/67/1174254367.db2.gz OBNLRDYABHSPNV-TZMCWYRMSA-N 2 2 276.384 1.497 10 30 CDEELP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001571369261 1170388388 /nfs/dbraw/zinc/38/83/88/1170388388.db2.gz WIHHNNGMSHYDQM-UKRRQHHQSA-N 2 2 288.395 1.294 10 30 CDEELP N#Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000592485653 342695716 /nfs/dbraw/zinc/69/57/16/342695716.db2.gz VCPFUIAZRNPEOL-NWANDNLSSA-N 2 2 256.353 1.512 10 30 CDEELP N#Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000592485653 342695717 /nfs/dbraw/zinc/69/57/17/342695717.db2.gz VCPFUIAZRNPEOL-NWANDNLSSA-N 2 2 256.353 1.512 10 30 CDEELP C=C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(=O)OC ZINC000594711821 342945809 /nfs/dbraw/zinc/94/58/09/342945809.db2.gz QYKXGYSOQJPWLY-OAHLLOKOSA-N 2 2 296.411 1.195 10 30 CDEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C#N)CCCCC1 ZINC000597990434 343681665 /nfs/dbraw/zinc/68/16/65/343681665.db2.gz VXEVRRFVCASHKC-UHFFFAOYSA-N 2 2 294.443 1.460 10 30 CDEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C#N)CCCCC1 ZINC000597990434 343681666 /nfs/dbraw/zinc/68/16/66/343681666.db2.gz VXEVRRFVCASHKC-UHFFFAOYSA-N 2 2 294.443 1.460 10 30 CDEELP C=CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000338545891 360931145 /nfs/dbraw/zinc/93/11/45/360931145.db2.gz CXNHLDDMANTSFG-UHFFFAOYSA-N 2 2 261.373 1.241 10 30 CDEELP C=CC[NH+](CC=C)[C@H](CNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000631051729 374702309 /nfs/dbraw/zinc/70/23/09/374702309.db2.gz DYLVJNVTZXTQTB-CYBMUJFWSA-N 2 2 290.415 1.125 10 30 CDEELP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328598633 375918717 /nfs/dbraw/zinc/91/87/17/375918717.db2.gz BHOPYQYUFPUEET-CHWSQXEVSA-N 2 2 291.399 1.358 10 30 CDEELP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328598633 375918726 /nfs/dbraw/zinc/91/87/26/375918726.db2.gz BHOPYQYUFPUEET-CHWSQXEVSA-N 2 2 291.399 1.358 10 30 CDEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970931 391383360 /nfs/dbraw/zinc/38/33/60/391383360.db2.gz AZNSZOWYSNKATA-ZIAGYGMSSA-N 2 2 292.427 1.211 10 30 CDEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970931 391383361 /nfs/dbraw/zinc/38/33/61/391383361.db2.gz AZNSZOWYSNKATA-ZIAGYGMSSA-N 2 2 292.427 1.211 10 30 CDEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970931 391383362 /nfs/dbraw/zinc/38/33/62/391383362.db2.gz AZNSZOWYSNKATA-ZIAGYGMSSA-N 2 2 292.427 1.211 10 30 CDEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000346970931 391383363 /nfs/dbraw/zinc/38/33/63/391383363.db2.gz AZNSZOWYSNKATA-ZIAGYGMSSA-N 2 2 292.427 1.211 10 30 CDEELP C=C(C)C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000679219132 483304077 /nfs/dbraw/zinc/30/40/77/483304077.db2.gz OUGXJFWOZHPYJQ-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=C(C)C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000679219132 483304081 /nfs/dbraw/zinc/30/40/81/483304081.db2.gz OUGXJFWOZHPYJQ-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=C(C)C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679219132 483304084 /nfs/dbraw/zinc/30/40/84/483304084.db2.gz OUGXJFWOZHPYJQ-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=C(C)C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679219132 483304087 /nfs/dbraw/zinc/30/40/87/483304087.db2.gz OUGXJFWOZHPYJQ-INIZCTEOSA-N 2 2 262.397 1.987 10 30 CDEELP C=CC[C@]1(C(=O)NCc2[nH+]ccn2CC(C)C)CCC[NH2+]1 ZINC000662743466 413416592 /nfs/dbraw/zinc/41/65/92/413416592.db2.gz NNCLHENLRJPRDO-MRXNPFEDSA-N 2 2 290.411 1.854 10 30 CDEELP C=CC[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657352190 414198915 /nfs/dbraw/zinc/19/89/15/414198915.db2.gz DMFRPYROMJDUGS-UHFFFAOYSA-N 2 2 260.385 1.569 10 30 CDEELP N#Cc1c(C[N@H+]2CCC[C@H](C[NH3+])C2)cn2ccccc12 ZINC000044529752 175194514 /nfs/dbraw/zinc/19/45/14/175194514.db2.gz MQLVRWWHFZRTLQ-CYBMUJFWSA-N 2 2 268.364 1.982 10 30 CDEELP N#Cc1c(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn2ccccc12 ZINC000044529752 175194515 /nfs/dbraw/zinc/19/45/15/175194515.db2.gz MQLVRWWHFZRTLQ-CYBMUJFWSA-N 2 2 268.364 1.982 10 30 CDEELP C[C@@]1(F)CC[NH+](CC#CC[N@H+]2CC[C@@](C)(F)C2)C1 ZINC000341911265 263366024 /nfs/dbraw/zinc/36/60/24/263366024.db2.gz PXNVUZGPYHHMKR-ZIAGYGMSSA-N 2 2 256.340 1.858 10 30 CDEELP C[C@@]1(F)CC[NH+](CC#CC[N@@H+]2CC[C@@](C)(F)C2)C1 ZINC000341911265 263366025 /nfs/dbraw/zinc/36/60/25/263366025.db2.gz PXNVUZGPYHHMKR-ZIAGYGMSSA-N 2 2 256.340 1.858 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123158001 268003372 /nfs/dbraw/zinc/00/33/72/268003372.db2.gz STUVUBHINYVAIB-CABCVRRESA-N 2 2 281.444 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123158001 268003376 /nfs/dbraw/zinc/00/33/76/268003376.db2.gz STUVUBHINYVAIB-CABCVRRESA-N 2 2 281.444 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123158001 268003380 /nfs/dbraw/zinc/00/33/80/268003380.db2.gz STUVUBHINYVAIB-CABCVRRESA-N 2 2 281.444 1.826 10 30 CDEELP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123158001 268003383 /nfs/dbraw/zinc/00/33/83/268003383.db2.gz STUVUBHINYVAIB-CABCVRRESA-N 2 2 281.444 1.826 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043339 279214964 /nfs/dbraw/zinc/21/49/64/279214964.db2.gz YLEPPFVSJWCLMJ-DZGCQCFKSA-N 2 2 292.427 1.211 10 30 CDEELP CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043339 279214967 /nfs/dbraw/zinc/21/49/67/279214967.db2.gz YLEPPFVSJWCLMJ-DZGCQCFKSA-N 2 2 292.427 1.211 10 30 CDEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@H](C)c1ccc(C)o1 ZINC000261768026 329982549 /nfs/dbraw/zinc/98/25/49/329982549.db2.gz GMPPUZCPBTUABA-GFCCVEGCSA-N 2 2 264.373 1.520 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001725111182 1181867856 /nfs/dbraw/zinc/86/78/56/1181867856.db2.gz SOJLPQBHKPSCPQ-VXGBXAGGSA-N 2 2 264.373 1.401 10 30 CDEELP CC[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615618 520224709 /nfs/dbraw/zinc/22/47/09/520224709.db2.gz FXBVBUVVYCRGLG-OAGGEKHMSA-N 2 2 278.444 1.827 10 30 CDEELP CC[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068615618 520224715 /nfs/dbraw/zinc/22/47/15/520224715.db2.gz FXBVBUVVYCRGLG-OAGGEKHMSA-N 2 2 278.444 1.827 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCOC[C@@H]1C ZINC000049609132 523513873 /nfs/dbraw/zinc/51/38/73/523513873.db2.gz ICRJFYDZBGNQFW-ZDUSSCGKSA-N 2 2 274.364 1.226 10 30 CDEELP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCOC[C@@H]1C ZINC000049609132 523513884 /nfs/dbraw/zinc/51/38/84/523513884.db2.gz ICRJFYDZBGNQFW-ZDUSSCGKSA-N 2 2 274.364 1.226 10 30 CDEELP C#CC[NH+](CC#C)Cc1ccc(C[NH+](CC#C)CC#C)cc1 ZINC000752302972 577098481 /nfs/dbraw/zinc/09/84/81/577098481.db2.gz RKFNTAKBOOXZBR-UHFFFAOYSA-N 2 2 288.394 1.823 10 30 CDEELP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@@]2(C)C1 ZINC000931316980 617712438 /nfs/dbraw/zinc/71/24/38/617712438.db2.gz LTLPGGNRGQLLTD-BZUAXINKSA-N 2 2 291.439 1.705 10 30 CDEELP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(C#N)ccn1 ZINC000902762600 625296704 /nfs/dbraw/zinc/29/67/04/625296704.db2.gz OYHNYVNFYPEJPW-ZDUSSCGKSA-N 2 2 288.395 1.451 10 30 CDEELP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266858776 1158913423 /nfs/dbraw/zinc/91/34/23/1158913423.db2.gz HNANIGQWSBERMH-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266858776 1158913429 /nfs/dbraw/zinc/91/34/29/1158913429.db2.gz HNANIGQWSBERMH-HNNXBMFYSA-N 2 2 290.411 1.820 10 30 CDEELP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001271679255 1160346932 /nfs/dbraw/zinc/34/69/32/1160346932.db2.gz WYPSHXITEMMDSY-KBPBESRZSA-N 2 2 290.411 1.365 10 30 CDEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001661152503 1172344654 /nfs/dbraw/zinc/34/46/54/1172344654.db2.gz RQLFTZNTPIOFSP-AWEZNQCLSA-N 2 2 290.411 1.413 10 30 CDEELP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001676945184 1174297509 /nfs/dbraw/zinc/29/75/09/1174297509.db2.gz ILJRHZYUOQALGL-HUUCEWRRSA-N 2 2 288.395 1.171 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692312777 1175733979 /nfs/dbraw/zinc/73/39/79/1175733979.db2.gz ZZWWHOSLADEFPD-ZIAGYGMSSA-N 2 2 288.395 1.527 10 30 CDEELP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692312777 1175733984 /nfs/dbraw/zinc/73/39/84/1175733984.db2.gz ZZWWHOSLADEFPD-ZIAGYGMSSA-N 2 2 288.395 1.527 10 30 CDEELP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001699120552 1176101327 /nfs/dbraw/zinc/10/13/27/1176101327.db2.gz KFQLSRXWHGQMPP-GFCCVEGCSA-N 2 2 270.336 1.066 10 30 CDEELP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001699488130 1176441421 /nfs/dbraw/zinc/44/14/21/1176441421.db2.gz PFQZGACINZBEGY-KBPBESRZSA-N 2 2 288.395 1.158 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001699597287 1176492992 /nfs/dbraw/zinc/49/29/92/1176492992.db2.gz KBXQWCGCDHTJRW-CQSZACIVSA-N 2 2 276.384 1.334 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001700494456 1176979684 /nfs/dbraw/zinc/97/96/84/1176979684.db2.gz KCSRCSNWEKPSJV-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001700494456 1176979689 /nfs/dbraw/zinc/97/96/89/1176979689.db2.gz KCSRCSNWEKPSJV-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001700494456 1176979692 /nfs/dbraw/zinc/97/96/92/1176979692.db2.gz KCSRCSNWEKPSJV-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001700494456 1176979698 /nfs/dbraw/zinc/97/96/98/1176979698.db2.gz KCSRCSNWEKPSJV-QWHCGFSZSA-N 2 2 278.400 1.601 10 30 CDEELP C=CCC[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001700775449 1177128751 /nfs/dbraw/zinc/12/87/51/1177128751.db2.gz FOFJPQDSDZQAIU-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001713133361 1178386931 /nfs/dbraw/zinc/38/69/31/1178386931.db2.gz RLZYEMMODXVDAA-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001713133361 1178386939 /nfs/dbraw/zinc/38/69/39/1178386939.db2.gz RLZYEMMODXVDAA-OAHLLOKOSA-N 2 2 288.395 1.077 10 30 CDEELP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001713133360 1178387303 /nfs/dbraw/zinc/38/73/03/1178387303.db2.gz RLZYEMMODXVDAA-HNNXBMFYSA-N 2 2 288.395 1.077 10 30 CDEELP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001713133360 1178387309 /nfs/dbraw/zinc/38/73/09/1178387309.db2.gz RLZYEMMODXVDAA-HNNXBMFYSA-N 2 2 288.395 1.077 10 30 CDEELP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001714030613 1178937969 /nfs/dbraw/zinc/93/79/69/1178937969.db2.gz UBJGNRGNOFPCJT-KRWDZBQOSA-N 2 2 299.418 1.284 10 30 CDEELP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001714030613 1178937973 /nfs/dbraw/zinc/93/79/73/1178937973.db2.gz UBJGNRGNOFPCJT-KRWDZBQOSA-N 2 2 299.418 1.284 10 30 CDEELP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001714030613 1178937978 /nfs/dbraw/zinc/93/79/78/1178937978.db2.gz UBJGNRGNOFPCJT-KRWDZBQOSA-N 2 2 299.418 1.284 10 30 CDEELP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001714030613 1178937982 /nfs/dbraw/zinc/93/79/82/1178937982.db2.gz UBJGNRGNOFPCJT-KRWDZBQOSA-N 2 2 299.418 1.284 10 30 CDEELP C#CC[NH2+]C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001714188650 1179008197 /nfs/dbraw/zinc/00/81/97/1179008197.db2.gz NISROHJAFCGTSV-XJKSGUPXSA-N 2 2 288.395 1.240 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001714286039 1179065764 /nfs/dbraw/zinc/06/57/64/1179065764.db2.gz HOTNHGOPNDUHNV-LLVKDONJSA-N 2 2 250.346 1.013 10 30 CDEELP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001715186086 1179571865 /nfs/dbraw/zinc/57/18/65/1179571865.db2.gz JRUGIZBEJBFSGP-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001715186086 1179571859 /nfs/dbraw/zinc/57/18/59/1179571859.db2.gz JRUGIZBEJBFSGP-OAHLLOKOSA-N 2 2 288.395 1.336 10 30 CDEELP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001715241425 1179592121 /nfs/dbraw/zinc/59/21/21/1179592121.db2.gz ZTNULMQTAHNEJN-UONOGXRCSA-N 2 2 290.411 1.364 10 30 CDEELP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001716074579 1180031221 /nfs/dbraw/zinc/03/12/21/1180031221.db2.gz BEGHENXCJJCENQ-LSDHHAIUSA-N 2 2 290.411 1.724 10 30 CDEELP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001717642945 1180771166 /nfs/dbraw/zinc/77/11/66/1180771166.db2.gz MHGKXDCZXBCAMN-HDJSIYSDSA-N 2 2 288.395 1.044 10 30 CDEELP C#CC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001723530028 1181583478 /nfs/dbraw/zinc/58/34/78/1181583478.db2.gz QUNHPGISONAAAR-AWEZNQCLSA-N 2 2 288.395 1.342 10 30 CDEELP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001725266167 1181945255 /nfs/dbraw/zinc/94/52/55/1181945255.db2.gz QTFAEJPUJSWTPJ-LBPRGKRZSA-N 2 2 276.384 1.355 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001725659625 1182090755 /nfs/dbraw/zinc/09/07/55/1182090755.db2.gz XIUXNDGFTWRXHI-HUUCEWRRSA-N 2 2 290.411 1.724 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001732569408 1183014220 /nfs/dbraw/zinc/01/42/20/1183014220.db2.gz YFVKSNFNIFSWRL-HIFRSBDPSA-N 2 2 290.411 1.342 10 30 CDEELP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001732569408 1183014225 /nfs/dbraw/zinc/01/42/25/1183014225.db2.gz YFVKSNFNIFSWRL-HIFRSBDPSA-N 2 2 290.411 1.342 10 30 CDEELP C#CC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732966009 1183209020 /nfs/dbraw/zinc/20/90/20/1183209020.db2.gz WXLSQYIHYGJDEX-GFCCVEGCSA-N 2 2 259.353 1.348 10 30 CDEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001733555391 1183465725 /nfs/dbraw/zinc/46/57/25/1183465725.db2.gz QGXMHDSETWZMDN-QWHCGFSZSA-N 2 2 276.384 1.212 10 30 CDEELP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001734056511 1183639114 /nfs/dbraw/zinc/63/91/14/1183639114.db2.gz XUILTJLQINCXSJ-JHJVBQTASA-N 2 2 276.384 1.146 10 30 CDEELP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001734056511 1183639117 /nfs/dbraw/zinc/63/91/17/1183639117.db2.gz XUILTJLQINCXSJ-JHJVBQTASA-N 2 2 276.384 1.146 10 30 CDEELP C=CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734238686 1183701996 /nfs/dbraw/zinc/70/19/96/1183701996.db2.gz AZMHHEFQPHDEKD-ZDUSSCGKSA-N 2 2 292.427 1.987 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001734569245 1183828347 /nfs/dbraw/zinc/82/83/47/1183828347.db2.gz HIHBGADOMATXQA-JSGCOSHPSA-N 2 2 292.427 1.895 10 30 CDEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)(C)C ZINC001734569245 1183828354 /nfs/dbraw/zinc/82/83/54/1183828354.db2.gz HIHBGADOMATXQA-JSGCOSHPSA-N 2 2 292.427 1.895 10 30 CDEELP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001566863336 1168449224 /nfs/dbraw/zinc/44/92/24/1168449224.db2.gz HKZJGOZNZUILAI-BETUJISGSA-N 2 2 262.357 1.086 10 30 CDEELP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001567028737 1168520811 /nfs/dbraw/zinc/52/08/11/1168520811.db2.gz LRNQEAKYOGMSFY-ZIAGYGMSSA-N 2 2 290.411 1.506 10 30 CDEELP C=CC[NH2+]C1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001266917064 896337693 /nfs/dbraw/zinc/33/76/93/896337693.db2.gz OZKDOLWXMABBLS-UHFFFAOYSA-N 2 2 290.411 1.866 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267557671 898356115 /nfs/dbraw/zinc/35/61/15/898356115.db2.gz KNHRCDZOOWUJIT-MGPQQGTHSA-N 2 2 288.395 1.527 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267557671 898356132 /nfs/dbraw/zinc/35/61/32/898356132.db2.gz KNHRCDZOOWUJIT-MGPQQGTHSA-N 2 2 288.395 1.527 10 30 CDEELP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267557671 898356148 /nfs/dbraw/zinc/35/61/48/898356148.db2.gz KNHRCDZOOWUJIT-MGPQQGTHSA-N 2 2 288.395 1.527 10 30 CDEELP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267557671 898356165 /nfs/dbraw/zinc/35/61/65/898356165.db2.gz KNHRCDZOOWUJIT-MGPQQGTHSA-N 2 2 288.395 1.527 10 30 CDEELP C=CCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001267634093 899103482 /nfs/dbraw/zinc/10/34/82/899103482.db2.gz DRCOQQQMTMNQBE-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001267634093 899103488 /nfs/dbraw/zinc/10/34/88/899103488.db2.gz DRCOQQQMTMNQBE-AWEZNQCLSA-N 2 2 290.411 1.509 10 30 CDEELP C=CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001481196101 899110170 /nfs/dbraw/zinc/11/01/70/899110170.db2.gz RBSVHBFZLPPDCZ-UHFFFAOYSA-N 2 2 262.357 1.027 10 30 CDEELP C=CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001481196101 899110180 /nfs/dbraw/zinc/11/01/80/899110180.db2.gz RBSVHBFZLPPDCZ-UHFFFAOYSA-N 2 2 262.357 1.027 10 30 CDEELP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481249481 899654282 /nfs/dbraw/zinc/65/42/82/899654282.db2.gz GTUAQZLNIWLDSI-CQSZACIVSA-N 2 2 290.411 1.460 10 30 CDEELP C=CCC[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267860248 899887729 /nfs/dbraw/zinc/88/77/29/899887729.db2.gz LEANKLXDKOTZNO-OAHLLOKOSA-N 2 2 276.384 1.403 10 30 CDEELP C=CC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269886701 904184164 /nfs/dbraw/zinc/18/41/64/904184164.db2.gz LFHADFGJNDSSAX-UHFFFAOYSA-N 2 2 279.428 1.581 10 30 CDEELP CC#CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001271862522 906910234 /nfs/dbraw/zinc/91/02/34/906910234.db2.gz YNTGZMGBCGFGCK-INIZCTEOSA-N 2 2 298.390 1.930 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001482690645 908289975 /nfs/dbraw/zinc/28/99/75/908289975.db2.gz BIMXERQGKXTVHN-DZGCQCFKSA-N 2 2 290.411 1.413 10 30 CDEELP C#CC[NH2+]C1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001484918889 916277004 /nfs/dbraw/zinc/27/70/04/916277004.db2.gz OENFGVKXIKCTEV-UHFFFAOYSA-N 2 2 296.374 1.780 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826704464 936432751 /nfs/dbraw/zinc/43/27/51/936432751.db2.gz TYKZZPNWZNFWQV-OAHLLOKOSA-N 2 2 273.380 1.407 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826704464 936432753 /nfs/dbraw/zinc/43/27/53/936432753.db2.gz TYKZZPNWZNFWQV-OAHLLOKOSA-N 2 2 273.380 1.407 10 30 CDEELP C=CCCC[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486517520 921086251 /nfs/dbraw/zinc/08/62/51/921086251.db2.gz HFMXMKUVHQSAEF-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP C=CCCC[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486517520 921086259 /nfs/dbraw/zinc/08/62/59/921086259.db2.gz HFMXMKUVHQSAEF-UHFFFAOYSA-N 2 2 288.395 1.667 10 30 CDEELP C=CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490393530 927147593 /nfs/dbraw/zinc/14/75/93/927147593.db2.gz SCLUMSUIRQNMKS-UHFFFAOYSA-N 2 2 262.357 1.040 10 30 CDEELP C=CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490393530 927147599 /nfs/dbraw/zinc/14/75/99/927147599.db2.gz SCLUMSUIRQNMKS-UHFFFAOYSA-N 2 2 262.357 1.040 10 30 CDEELP C=C1CC[NH+](CC(=O)NC[C@@H](C)[NH+]2CCC(=C)CC2)CC1 ZINC000929603754 933249800 /nfs/dbraw/zinc/24/98/00/933249800.db2.gz 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CDEELP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1=O ZINC000337197325 360019079 /nfs/dbraw/zinc/01/90/79/360019079.db2.gz YKASEUVUJVGDQS-ZNMIVQPWSA-N 2 2 279.428 1.435 10 30 CDEELP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1=O ZINC000337197325 360019080 /nfs/dbraw/zinc/01/90/80/360019080.db2.gz YKASEUVUJVGDQS-ZNMIVQPWSA-N 2 2 279.428 1.435 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580329 360889807 /nfs/dbraw/zinc/88/98/07/360889807.db2.gz FJQCDUSKBUWLES-ILXRZTDVSA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580329 360889814 /nfs/dbraw/zinc/88/98/14/360889814.db2.gz FJQCDUSKBUWLES-ILXRZTDVSA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580329 360889819 /nfs/dbraw/zinc/88/98/19/360889819.db2.gz FJQCDUSKBUWLES-ILXRZTDVSA-N 2 2 294.443 1.409 10 30 CDEELP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580329 360889824 /nfs/dbraw/zinc/88/98/24/360889824.db2.gz FJQCDUSKBUWLES-ILXRZTDVSA-N 2 2 294.443 1.409 10 30 CDEELP N#Cc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000352838578 374369095 /nfs/dbraw/zinc/36/90/95/374369095.db2.gz FTCBHVQIXFUVTC-PWSUYJOCSA-N 2 2 262.382 1.731 10 30 CDEELP N#Cc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000352838578 374369102 /nfs/dbraw/zinc/36/91/02/374369102.db2.gz FTCBHVQIXFUVTC-PWSUYJOCSA-N 2 2 262.382 1.731 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000174300206 379444237 /nfs/dbraw/zinc/44/42/37/379444237.db2.gz YVUNRIZDOFXKJX-LBPRGKRZSA-N 2 2 263.341 1.088 10 30 CDEELP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001663123352 1172637629 /nfs/dbraw/zinc/63/76/29/1172637629.db2.gz DOWZQVPKSLUXGL-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001663123352 1172637630 /nfs/dbraw/zinc/63/76/30/1172637630.db2.gz DOWZQVPKSLUXGL-OAHLLOKOSA-N 2 2 290.411 1.820 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1F ZINC000421387480 392933179 /nfs/dbraw/zinc/93/31/79/392933179.db2.gz TUKYGNOBUGGGHW-OAHLLOKOSA-N 2 2 291.370 1.634 10 30 CDEELP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1F ZINC000421387480 392933184 /nfs/dbraw/zinc/93/31/84/392933184.db2.gz TUKYGNOBUGGGHW-OAHLLOKOSA-N 2 2 291.370 1.634 10 30 CDEELP C#CCNC(=O)[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020368369 171166305 /nfs/dbraw/zinc/16/63/05/171166305.db2.gz XVZKSWKJZATLDY-OAHLLOKOSA-N 2 2 287.407 1.236 10 30 CDEELP C#CCNC(=O)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020368369 171166307 /nfs/dbraw/zinc/16/63/07/171166307.db2.gz XVZKSWKJZATLDY-OAHLLOKOSA-N 2 2 287.407 1.236 10 30 CDEELP CCN[C@](C)(C#N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045177178 175323389 /nfs/dbraw/zinc/32/33/89/175323389.db2.gz VYCDUKCPYNTYTQ-CQSZACIVSA-N 2 2 252.406 1.152 10 30 CDEELP CC[NH+]1CCC([N@H+](C)CCC[C@](C)(C#N)[NH2+]C)CC1 ZINC000045317134 175358320 /nfs/dbraw/zinc/35/83/20/175358320.db2.gz WBUDJBUQXBRUBX-OAHLLOKOSA-N 3 2 266.433 1.684 10 30 CDEELP CC[NH+]1CCC([N@@H+](C)CCC[C@](C)(C#N)[NH2+]C)CC1 ZINC000045317134 175358322 /nfs/dbraw/zinc/35/83/22/175358322.db2.gz WBUDJBUQXBRUBX-OAHLLOKOSA-N 3 2 266.433 1.684 10 30 CDEELP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071190478 176066546 /nfs/dbraw/zinc/06/65/46/176066546.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 3 2 289.398 1.519 10 30 CDEELP C[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071190478 176066547 /nfs/dbraw/zinc/06/65/47/176066547.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 3 2 289.398 1.519 10 30 CDEELP C[NH+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071190478 176066549 /nfs/dbraw/zinc/06/65/49/176066549.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 3 2 289.398 1.519 10 30 CDEELP C[NH+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190478 176066550 /nfs/dbraw/zinc/06/65/50/176066550.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 3 2 289.398 1.519 10 30 CDEELP C=C(Cl)C[NH2+]CCN(CC)C(=O)CCc1[nH+]ccn1C ZINC001668506800 1173420200 /nfs/dbraw/zinc/42/02/00/1173420200.db2.gz KLSCJSVIZWUEKK-UHFFFAOYSA-N 2 2 298.818 1.543 10 30 CDEELP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001669872461 1173621934 /nfs/dbraw/zinc/62/19/34/1173621934.db2.gz FXJOSOKYRRIBAU-LLVKDONJSA-N 2 2 261.797 1.127 10 30 CDEELP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001669872461 1173621940 /nfs/dbraw/zinc/62/19/40/1173621940.db2.gz FXJOSOKYRRIBAU-LLVKDONJSA-N 2 2 261.797 1.127 10 30 CDEELP CC[NH+]=C(NCCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261865172 329987254 /nfs/dbraw/zinc/98/72/54/329987254.db2.gz YYXOYBRSHSSTSY-GJZGRUSLSA-N 2 2 289.427 1.971 10 30 CDEELP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])C[C@H](C)O1 ZINC000049608451 524996057 /nfs/dbraw/zinc/99/60/57/524996057.db2.gz PJTMKIZSRLZTRK-BETUJISGSA-N 2 2 276.355 1.745 10 30 CDEELP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#CC[NH3+])C[C@H](C)O1 ZINC000049608451 524996066 /nfs/dbraw/zinc/99/60/66/524996066.db2.gz PJTMKIZSRLZTRK-BETUJISGSA-N 2 2 276.355 1.745 10 30 CDEELP C=C(C[NH+](C)C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000764493820 575916027 /nfs/dbraw/zinc/91/60/27/575916027.db2.gz JNIOUSKEEQHRLM-UHFFFAOYSA-N 2 2 285.351 1.001 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000756903125 577013988 /nfs/dbraw/zinc/01/39/88/577013988.db2.gz KMZKDHPNMJWMAS-CZUORRHYSA-N 2 2 258.365 1.738 10 30 CDEELP C#CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000756903125 577013990 /nfs/dbraw/zinc/01/39/90/577013990.db2.gz KMZKDHPNMJWMAS-CZUORRHYSA-N 2 2 258.365 1.738 10 30 CDEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691410664 1159061015 /nfs/dbraw/zinc/06/10/15/1159061015.db2.gz RPVCANVKJITXKQ-CYBMUJFWSA-N 2 2 276.384 1.071 10 30 CDEELP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001691410664 1159061024 /nfs/dbraw/zinc/06/10/24/1159061024.db2.gz RPVCANVKJITXKQ-CYBMUJFWSA-N 2 2 276.384 1.071 10 30 CDEELP C#CC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267136459 1159133674 /nfs/dbraw/zinc/13/36/74/1159133674.db2.gz WPCUMXBRVXFFKB-NSHDSACASA-N 2 2 270.336 1.294 10 30 CDEELP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001569131165 1169677435 /nfs/dbraw/zinc/67/74/35/1169677435.db2.gz KOXCPRBMJVNIFK-CQSZACIVSA-N 2 2 296.374 1.556 10 30 CDEELP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001569131165 1169677442 /nfs/dbraw/zinc/67/74/42/1169677442.db2.gz KOXCPRBMJVNIFK-CQSZACIVSA-N 2 2 296.374 1.556 10 30 CDEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(C)(C)C ZINC001571636901 1170504849 /nfs/dbraw/zinc/50/48/49/1170504849.db2.gz KPDVZPNICBBDFY-AWEZNQCLSA-N 2 2 290.411 1.404 10 30 CDEELP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001674703553 1173993669 /nfs/dbraw/zinc/99/36/69/1173993669.db2.gz YWEXHIJBLVQOLY-CHWSQXEVSA-N 2 2 278.400 1.412 10 30 CDEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C/Cl ZINC001674943709 1174039709 /nfs/dbraw/zinc/03/97/09/1174039709.db2.gz NMZFCUFUQLNPDN-AJKRIUKHSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C/C=C/Cl ZINC001674943709 1174039717 /nfs/dbraw/zinc/03/97/17/1174039717.db2.gz NMZFCUFUQLNPDN-AJKRIUKHSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)C/C=C/Cl ZINC001674943709 1174039725 /nfs/dbraw/zinc/03/97/25/1174039725.db2.gz NMZFCUFUQLNPDN-AJKRIUKHSA-N 2 2 297.830 1.273 10 30 CDEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)C/C=C/Cl ZINC001674943709 1174039731 /nfs/dbraw/zinc/03/97/31/1174039731.db2.gz NMZFCUFUQLNPDN-AJKRIUKHSA-N 2 2 297.830 1.273 10 30 CDEELP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001690394352 1175458956 /nfs/dbraw/zinc/45/89/56/1175458956.db2.gz XZSRMNTYDADDGJ-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001690394352 1175458964 /nfs/dbraw/zinc/45/89/64/1175458964.db2.gz XZSRMNTYDADDGJ-CQSZACIVSA-N 2 2 276.384 1.287 10 30 CDEELP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001698833417 1175955234 /nfs/dbraw/zinc/95/52/34/1175955234.db2.gz LJNBDCRKUTWCJA-OLZOCXBDSA-N 2 2 276.384 1.068 10 30 CDEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001699736990 1176597119 /nfs/dbraw/zinc/59/71/19/1176597119.db2.gz KIZAHNOCKHXJQT-STQMWFEESA-N 2 2 276.384 1.497 10 30 CDEELP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001700641342 1177051180 /nfs/dbraw/zinc/05/11/80/1177051180.db2.gz VEBGMSWONKABQR-IHRRRGAJSA-N 2 2 288.395 1.096 10 30 CDEELP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001700641342 1177051185 /nfs/dbraw/zinc/05/11/85/1177051185.db2.gz VEBGMSWONKABQR-IHRRRGAJSA-N 2 2 288.395 1.096 10 30 CDEELP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001707045860 1177924174 /nfs/dbraw/zinc/92/41/74/1177924174.db2.gz BZYKHOLCCGJGIH-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001707045860 1177924180 /nfs/dbraw/zinc/92/41/80/1177924180.db2.gz BZYKHOLCCGJGIH-AWEZNQCLSA-N 2 2 276.384 1.382 10 30 CDEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713365017 1178522069 /nfs/dbraw/zinc/52/20/69/1178522069.db2.gz BHQJBQNZEWLTKT-HNNXBMFYSA-N 2 2 290.411 1.678 10 30 CDEELP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001713376904 1178527626 /nfs/dbraw/zinc/52/76/26/1178527626.db2.gz KUVFCTMJNAFBHK-KGLIPLIRSA-N 2 2 288.395 1.003 10 30 CDEELP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713394187 1178535723 /nfs/dbraw/zinc/53/57/23/1178535723.db2.gz SBJBSZSFZCMHRX-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713394187 1178535727 /nfs/dbraw/zinc/53/57/27/1178535727.db2.gz SBJBSZSFZCMHRX-HNNXBMFYSA-N 2 2 288.395 1.288 10 30 CDEELP CC#CC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713478196 1178594599 /nfs/dbraw/zinc/59/45/99/1178594599.db2.gz SHESJAVPAZHRBM-INIZCTEOSA-N 2 2 287.407 1.361 10 30 CDEELP CC#CC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713478196 1178594605 /nfs/dbraw/zinc/59/46/05/1178594605.db2.gz SHESJAVPAZHRBM-INIZCTEOSA-N 2 2 287.407 1.361 10 30 CDEELP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001714407296 1179126500 /nfs/dbraw/zinc/12/65/00/1179126500.db2.gz OJUMPALPOCFJGA-KGLIPLIRSA-N 2 2 290.411 1.364 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714549647 1179205199 /nfs/dbraw/zinc/20/51/99/1179205199.db2.gz UZSUFLTXXAYQJG-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001714549647 1179205203 /nfs/dbraw/zinc/20/52/03/1179205203.db2.gz UZSUFLTXXAYQJG-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001714549647 1179205211 /nfs/dbraw/zinc/20/52/11/1179205211.db2.gz UZSUFLTXXAYQJG-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001714549647 1179205218 /nfs/dbraw/zinc/20/52/18/1179205218.db2.gz UZSUFLTXXAYQJG-CHWSQXEVSA-N 2 2 276.384 1.527 10 30 CDEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001714819746 1179409442 /nfs/dbraw/zinc/40/94/42/1179409442.db2.gz CGHYLRLPSXMZNX-CYBMUJFWSA-N 2 2 278.400 1.365 10 30 CDEELP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001716225054 1180110278 /nfs/dbraw/zinc/11/02/78/1180110278.db2.gz ULVUGMMZPOSDEC-AWEZNQCLSA-N 2 2 290.411 1.460 10 30 CDEELP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001716784587 1180413310 /nfs/dbraw/zinc/41/33/10/1180413310.db2.gz AJYNTZKZCLWCMP-BFHYXJOUSA-N 2 2 288.395 1.290 10 30 CDEELP C#CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001716988411 1180492855 /nfs/dbraw/zinc/49/28/55/1180492855.db2.gz ZUQBHVRSJADEGE-BBRMVZONSA-N 2 2 299.418 1.938 10 30 CDEELP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001717106093 1180532882 /nfs/dbraw/zinc/53/28/82/1180532882.db2.gz IZYVUKNWAIPDHO-CQSZACIVSA-N 2 2 290.411 1.367 10 30 CDEELP CC#CC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001717284133 1180603553 /nfs/dbraw/zinc/60/35/53/1180603553.db2.gz QQAHLOTTXPUOGV-KBPBESRZSA-N 2 2 296.374 1.408 10 30 CDEELP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542445 1180730000 /nfs/dbraw/zinc/73/00/00/1180730000.db2.gz DPFXLVWPBPWLQI-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542445 1180730006 /nfs/dbraw/zinc/73/00/06/1180730006.db2.gz DPFXLVWPBPWLQI-AWEZNQCLSA-N 2 2 276.384 1.430 10 30 CDEELP C#CC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001717962414 1180950162 /nfs/dbraw/zinc/95/01/62/1180950162.db2.gz FKMHJURELJDDGN-HNNXBMFYSA-N 2 2 298.390 1.930 10 30 CDEELP C=C(C)CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001731409343 1182368484 /nfs/dbraw/zinc/36/84/84/1182368484.db2.gz RWMMJNBXLLBMTG-OAHLLOKOSA-N 2 2 290.411 1.711 10 30 CDEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001732171333 1182828725 /nfs/dbraw/zinc/82/87/25/1182828725.db2.gz CSXPDXMOOUWGEL-UKRRQHHQSA-N 2 2 290.411 1.840 10 30 CDEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001732171333 1182828731 /nfs/dbraw/zinc/82/87/31/1182828731.db2.gz CSXPDXMOOUWGEL-UKRRQHHQSA-N 2 2 290.411 1.840 10 30 CDEELP C#CC[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732210245 1182859260 /nfs/dbraw/zinc/85/92/60/1182859260.db2.gz ZIUUODOLXBWEHQ-LBPRGKRZSA-N 2 2 270.336 1.294 10 30 CDEELP C=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001734155186 1183677833 /nfs/dbraw/zinc/67/78/33/1183677833.db2.gz PUDDAQFFUAFKOT-CQSZACIVSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001734155186 1183677834 /nfs/dbraw/zinc/67/78/34/1183677834.db2.gz PUDDAQFFUAFKOT-CQSZACIVSA-N 2 2 290.411 1.365 10 30 CDEELP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734302988 1183720813 /nfs/dbraw/zinc/72/08/13/1183720813.db2.gz XORHTDKDHHCNOK-HNNXBMFYSA-N 2 2 298.390 1.961 10 30 CDEELP