smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438523689 1091015975 /nfs/dbraw/zinc/01/59/75/1091015975.db2.gz CWBAGYIUDZFZLM-CABCVRRESA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438523689 1091015982 /nfs/dbraw/zinc/01/59/82/1091015982.db2.gz CWBAGYIUDZFZLM-CABCVRRESA-N 2 2 339.443 2.002 20 30 EEEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001479956515 1099395024 /nfs/dbraw/zinc/39/50/24/1099395024.db2.gz KDPCZFYBOWDXCY-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001479956515 1099395034 /nfs/dbraw/zinc/39/50/34/1099395034.db2.gz KDPCZFYBOWDXCY-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C12CCC[NH+]1CCC2 ZINC001496737442 1101370035 /nfs/dbraw/zinc/37/00/35/1101370035.db2.gz GSXJLWXHJBPCIJ-UHFFFAOYSA-N 2 2 340.471 2.077 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C12CCC[NH+]1CCC2 ZINC001496737442 1101370045 /nfs/dbraw/zinc/37/00/45/1101370045.db2.gz GSXJLWXHJBPCIJ-UHFFFAOYSA-N 2 2 340.471 2.077 20 30 EEEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000459321049 274899996 /nfs/dbraw/zinc/89/99/96/274899996.db2.gz GIBVFNSKNMSWIO-UHFFFAOYSA-N 2 2 346.438 2.205 20 30 EEEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000563632175 319032503 /nfs/dbraw/zinc/03/25/03/319032503.db2.gz QJOUMNCCGKPNLW-UHFFFAOYSA-N 2 2 327.407 2.186 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000566017202 319236248 /nfs/dbraw/zinc/23/62/48/319236248.db2.gz ADUHEDXOJACBMN-CYBMUJFWSA-N 2 2 329.429 2.171 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000566017202 319236250 /nfs/dbraw/zinc/23/62/50/319236250.db2.gz ADUHEDXOJACBMN-CYBMUJFWSA-N 2 2 329.429 2.171 20 30 EEEDLP [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328612341 465069934 /nfs/dbraw/zinc/06/99/34/465069934.db2.gz PHEBNJWYTBUYFF-AWEZNQCLSA-N 2 2 328.420 2.277 20 30 EEEDLP [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328614351 465071609 /nfs/dbraw/zinc/07/16/09/465071609.db2.gz RAJZWEQPHBOYFC-KBPBESRZSA-N 2 2 328.420 2.277 20 30 EEEDLP C=CC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000171953856 463956542 /nfs/dbraw/zinc/95/65/42/463956542.db2.gz PXQYYKBEXFKOFR-INIZCTEOSA-N 2 2 328.460 2.017 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363152344 466250579 /nfs/dbraw/zinc/25/05/79/466250579.db2.gz UZARPMTWBVSIFQ-LPHOPBHVSA-N 2 2 342.487 2.025 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363152344 466250585 /nfs/dbraw/zinc/25/05/85/466250585.db2.gz UZARPMTWBVSIFQ-LPHOPBHVSA-N 2 2 342.487 2.025 20 30 EEEDLP C=CCc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(OC)c1O ZINC000657751521 471226505 /nfs/dbraw/zinc/22/65/05/471226505.db2.gz ROPJDAPREDHXQE-SFHVURJKSA-N 2 2 346.471 2.472 20 30 EEEDLP COCC1(C#N)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420964106 467520156 /nfs/dbraw/zinc/52/01/56/467520156.db2.gz NKCPYXLGJKVORC-UHFFFAOYSA-N 2 2 343.471 2.271 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cnc12 ZINC000550859748 468226899 /nfs/dbraw/zinc/22/68/99/468226899.db2.gz XRTMGXJHMJXYGL-UHFFFAOYSA-N 2 2 329.367 2.076 20 30 EEEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)cc1Cl ZINC000595488018 468872915 /nfs/dbraw/zinc/87/29/15/468872915.db2.gz BCIZDXAMMWFUSM-UHFFFAOYSA-N 2 2 329.791 2.253 20 30 EEEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)cc1Cl ZINC000595488018 468872922 /nfs/dbraw/zinc/87/29/22/468872922.db2.gz BCIZDXAMMWFUSM-UHFFFAOYSA-N 2 2 329.791 2.253 20 30 EEEDLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615352 468933749 /nfs/dbraw/zinc/93/37/49/468933749.db2.gz XBOHKXVXAVHGFL-ROUUACIJSA-N 2 2 330.476 2.136 20 30 EEEDLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615352 468933750 /nfs/dbraw/zinc/93/37/50/468933750.db2.gz XBOHKXVXAVHGFL-ROUUACIJSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615352 468933751 /nfs/dbraw/zinc/93/37/51/468933751.db2.gz XBOHKXVXAVHGFL-ROUUACIJSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615352 468933752 /nfs/dbraw/zinc/93/37/52/468933752.db2.gz XBOHKXVXAVHGFL-ROUUACIJSA-N 2 2 330.476 2.136 20 30 EEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000598715940 468970904 /nfs/dbraw/zinc/97/09/04/468970904.db2.gz VNJIKVORBSDUFR-LJQANCHMSA-N 2 2 344.503 2.089 20 30 EEEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000564188585 469250488 /nfs/dbraw/zinc/25/04/88/469250488.db2.gz MSASPVZUESWUSV-UONOGXRCSA-N 2 2 347.488 2.045 20 30 EEEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564188585 469250490 /nfs/dbraw/zinc/25/04/90/469250490.db2.gz MSASPVZUESWUSV-UONOGXRCSA-N 2 2 347.488 2.045 20 30 EEEDLP C=CC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000111258229 526977942 /nfs/dbraw/zinc/97/79/42/526977942.db2.gz ZJCYJUSKEUSZOT-UHFFFAOYSA-N 2 2 343.471 2.355 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccc(Cl)c(F)c3)cn2)CC1 ZINC000755752330 577830458 /nfs/dbraw/zinc/83/04/58/577830458.db2.gz CMUSUEXNTGBOJA-UHFFFAOYSA-N 2 2 348.813 2.467 20 30 EEEDLP CC(=NNCC[NH+]1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613229 578161359 /nfs/dbraw/zinc/16/13/59/578161359.db2.gz WKGHPFDFMHLOEG-FQEVSTJZSA-N 2 2 344.503 2.339 20 30 EEEDLP CC(=NNCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613229 578161360 /nfs/dbraw/zinc/16/13/60/578161360.db2.gz WKGHPFDFMHLOEG-FQEVSTJZSA-N 2 2 344.503 2.339 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646452 676302157 /nfs/dbraw/zinc/30/21/57/676302157.db2.gz OUQPJJXCYDUTRL-HOTGVXAUSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646452 676302158 /nfs/dbraw/zinc/30/21/58/676302158.db2.gz OUQPJJXCYDUTRL-HOTGVXAUSA-N 2 2 336.867 2.339 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025252993 682341172 /nfs/dbraw/zinc/34/11/72/682341172.db2.gz RVGRXOHYBHWZJQ-ZWKOTPCHSA-N 2 2 342.487 2.222 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025252993 682341176 /nfs/dbraw/zinc/34/11/76/682341176.db2.gz RVGRXOHYBHWZJQ-ZWKOTPCHSA-N 2 2 342.487 2.222 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC000992727972 683314805 /nfs/dbraw/zinc/31/48/05/683314805.db2.gz LENLTGPQNAQBNJ-RYQLBKOJSA-N 2 2 343.471 2.426 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC001026583336 684759901 /nfs/dbraw/zinc/75/99/01/684759901.db2.gz RFCIHLBDXNBACJ-UHFFFAOYSA-N 2 2 343.456 2.103 20 30 EEEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974884802 685672476 /nfs/dbraw/zinc/67/24/76/685672476.db2.gz OEAZNNQADXFJAG-SFHVURJKSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974884802 685672484 /nfs/dbraw/zinc/67/24/84/685672484.db2.gz OEAZNNQADXFJAG-SFHVURJKSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989486153 691967102 /nfs/dbraw/zinc/96/71/02/691967102.db2.gz IVPOZTXLAYAYES-CVEARBPZSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989486153 691967105 /nfs/dbraw/zinc/96/71/05/691967105.db2.gz IVPOZTXLAYAYES-CVEARBPZSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989673176 692158854 /nfs/dbraw/zinc/15/88/54/692158854.db2.gz UEBNJGVYNDBMSN-HUUCEWRRSA-N 2 2 325.416 2.036 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990711668 693274856 /nfs/dbraw/zinc/27/48/56/693274856.db2.gz MWUMVZFQMVOLEG-PXNSSMCTSA-N 2 2 336.439 2.393 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990711668 693274859 /nfs/dbraw/zinc/27/48/59/693274859.db2.gz MWUMVZFQMVOLEG-PXNSSMCTSA-N 2 2 336.439 2.393 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107045001 1193001576 /nfs/dbraw/zinc/00/15/76/1193001576.db2.gz UQRMOFLIBKJYRC-BHIYHBOVSA-N 2 2 344.503 2.335 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328329 1196096964 /nfs/dbraw/zinc/09/69/64/1196096964.db2.gz SNQBYZDBRQXYIB-GOSISDBHSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328329 1196096966 /nfs/dbraw/zinc/09/69/66/1196096966.db2.gz SNQBYZDBRQXYIB-GOSISDBHSA-N 2 2 336.439 2.480 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001034762119 1196676348 /nfs/dbraw/zinc/67/63/48/1196676348.db2.gz ZCMOTLLYRQYHFC-QAQDUYKDSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132265757 1199504329 /nfs/dbraw/zinc/50/43/29/1199504329.db2.gz RYCRZHSHBIPXBR-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132265757 1199504332 /nfs/dbraw/zinc/50/43/32/1199504332.db2.gz RYCRZHSHBIPXBR-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541139 1199836061 /nfs/dbraw/zinc/83/60/61/1199836061.db2.gz AKFHXIOPBSSFGT-MJGOQNOKSA-N 2 2 327.472 2.111 20 30 EEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541139 1199836063 /nfs/dbraw/zinc/83/60/63/1199836063.db2.gz AKFHXIOPBSSFGT-MJGOQNOKSA-N 2 2 327.472 2.111 20 30 EEEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541139 1199836066 /nfs/dbraw/zinc/83/60/66/1199836066.db2.gz AKFHXIOPBSSFGT-MJGOQNOKSA-N 2 2 327.472 2.111 20 30 EEEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541139 1199836069 /nfs/dbraw/zinc/83/60/69/1199836069.db2.gz AKFHXIOPBSSFGT-MJGOQNOKSA-N 2 2 327.472 2.111 20 30 EEEDLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000877294483 1199897589 /nfs/dbraw/zinc/89/75/89/1199897589.db2.gz HGPXVQSTNHQPFW-MSOLQXFVSA-N 2 2 346.450 2.442 20 30 EEEDLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931434279 1207378587 /nfs/dbraw/zinc/37/85/87/1207378587.db2.gz OSTQKHHVVGXFDJ-KGLIPLIRSA-N 2 2 332.835 2.034 20 30 EEEDLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931434279 1207378590 /nfs/dbraw/zinc/37/85/90/1207378590.db2.gz OSTQKHHVVGXFDJ-KGLIPLIRSA-N 2 2 332.835 2.034 20 30 EEEDLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931434279 1207378595 /nfs/dbraw/zinc/37/85/95/1207378595.db2.gz OSTQKHHVVGXFDJ-KGLIPLIRSA-N 2 2 332.835 2.034 20 30 EEEDLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC000931434279 1207378597 /nfs/dbraw/zinc/37/85/97/1207378597.db2.gz OSTQKHHVVGXFDJ-KGLIPLIRSA-N 2 2 332.835 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561027 1209223149 /nfs/dbraw/zinc/22/31/49/1209223149.db2.gz ICKCIQAWUBCXNR-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561027 1209223152 /nfs/dbraw/zinc/22/31/52/1209223152.db2.gz ICKCIQAWUBCXNR-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567403 1209227749 /nfs/dbraw/zinc/22/77/49/1209227749.db2.gz UWZZGMPDZIWXTA-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567403 1209227751 /nfs/dbraw/zinc/22/77/51/1209227751.db2.gz UWZZGMPDZIWXTA-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000957561009 1215211984 /nfs/dbraw/zinc/21/19/84/1215211984.db2.gz CUYJYODPVSULAW-IAGOWNOFSA-N 2 2 340.471 2.241 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000957561009 1215211986 /nfs/dbraw/zinc/21/19/86/1215211986.db2.gz CUYJYODPVSULAW-IAGOWNOFSA-N 2 2 340.471 2.241 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966231112 1219607848 /nfs/dbraw/zinc/60/78/48/1219607848.db2.gz HPUNVANHDJOOKO-WBVHZDCISA-N 2 2 330.476 2.165 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966231112 1219607851 /nfs/dbraw/zinc/60/78/51/1219607851.db2.gz HPUNVANHDJOOKO-WBVHZDCISA-N 2 2 330.476 2.165 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001016340735 1226367460 /nfs/dbraw/zinc/36/74/60/1226367460.db2.gz ZKEVZLDTNROUKZ-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP 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2.337 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)CC1 ZINC001052396306 1247184684 /nfs/dbraw/zinc/18/46/84/1247184684.db2.gz BQASTPJRQKIAHH-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)CC1 ZINC001052396306 1247184691 /nfs/dbraw/zinc/18/46/91/1247184691.db2.gz BQASTPJRQKIAHH-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001185960190 1278890193 /nfs/dbraw/zinc/89/01/93/1278890193.db2.gz VALNMYKAPYJZHS-PKOBYXMFSA-N 2 2 336.439 2.076 20 30 EEEDLP Cn1c[nH+]cc1CN1c2ccccc2[C@@]2(CC[N@H+](CCCC#N)C2)C1=O ZINC001276951796 1300454662 /nfs/dbraw/zinc/45/46/62/1300454662.db2.gz RWTJZTLKGRFRTE-FQEVSTJZSA-N 2 2 349.438 2.214 20 30 EEEDLP Cn1c[nH+]cc1CN1c2ccccc2[C@@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001276951796 1300454666 /nfs/dbraw/zinc/45/46/66/1300454666.db2.gz RWTJZTLKGRFRTE-FQEVSTJZSA-N 2 2 349.438 2.214 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175823 1300507644 /nfs/dbraw/zinc/50/76/44/1300507644.db2.gz RPKCDRZBERIHAF-IXDOHACOSA-N 2 2 332.492 2.392 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175823 1300507657 /nfs/dbraw/zinc/50/76/57/1300507657.db2.gz RPKCDRZBERIHAF-IXDOHACOSA-N 2 2 332.492 2.392 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103009953 1302061361 /nfs/dbraw/zinc/06/13/61/1302061361.db2.gz TZYDKKNJBOMHGL-IAGOWNOFSA-N 2 2 344.503 2.412 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103009953 1302061374 /nfs/dbraw/zinc/06/13/74/1302061374.db2.gz TZYDKKNJBOMHGL-IAGOWNOFSA-N 2 2 344.503 2.412 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001228819675 1302464853 /nfs/dbraw/zinc/46/48/53/1302464853.db2.gz QAJUORVCIVTCGQ-IBGZPJMESA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001228819675 1302464860 /nfs/dbraw/zinc/46/48/60/1302464860.db2.gz QAJUORVCIVTCGQ-IBGZPJMESA-N 2 2 349.519 2.177 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188926 1304790231 /nfs/dbraw/zinc/79/02/31/1304790231.db2.gz UDIPNPWGQCEKDS-DZFIZOCASA-N 2 2 332.492 2.370 20 30 EEEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188926 1304790241 /nfs/dbraw/zinc/79/02/41/1304790241.db2.gz UDIPNPWGQCEKDS-DZFIZOCASA-N 2 2 332.492 2.370 20 30 EEEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CCCCC1 ZINC001115604088 1305488622 /nfs/dbraw/zinc/48/86/22/1305488622.db2.gz ADNNWTJMDKNCRP-MRXNPFEDSA-N 2 2 342.487 2.255 20 30 EEEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CCCCC1 ZINC001115604088 1305488628 /nfs/dbraw/zinc/48/86/28/1305488628.db2.gz ADNNWTJMDKNCRP-MRXNPFEDSA-N 2 2 342.487 2.255 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200860 1317917988 /nfs/dbraw/zinc/91/79/88/1317917988.db2.gz RPHMWRAPTAYWJX-CYBMUJFWSA-N 2 2 334.302 2.063 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200860 1317917991 /nfs/dbraw/zinc/91/79/91/1317917991.db2.gz RPHMWRAPTAYWJX-CYBMUJFWSA-N 2 2 334.302 2.063 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156200860 1317917994 /nfs/dbraw/zinc/91/79/94/1317917994.db2.gz RPHMWRAPTAYWJX-CYBMUJFWSA-N 2 2 334.302 2.063 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156200860 1317918000 /nfs/dbraw/zinc/91/80/00/1317918000.db2.gz RPHMWRAPTAYWJX-CYBMUJFWSA-N 2 2 334.302 2.063 20 30 EEEDLP CC#CC[NH2+]C1(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)CCCCC1 ZINC001120213302 1309387700 /nfs/dbraw/zinc/38/77/00/1309387700.db2.gz IJBQCBIHVFQUIJ-SFHVURJKSA-N 2 2 342.487 2.116 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001122055415 1310210914 /nfs/dbraw/zinc/21/09/14/1310210914.db2.gz CKSFJHJCEPYECL-XYLATYTLSA-N 2 2 330.476 2.334 20 30 EEEDLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001153345050 1316814665 /nfs/dbraw/zinc/81/46/65/1316814665.db2.gz NMWIGUHMRVWKMT-UHFFFAOYSA-N 2 2 344.846 2.074 20 30 EEEDLP CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904523 1317378124 /nfs/dbraw/zinc/37/81/24/1317378124.db2.gz VZUIDNMTZOFRPX-OAHLLOKOSA-N 2 2 348.466 2.366 20 30 EEEDLP CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904523 1317378131 /nfs/dbraw/zinc/37/81/31/1317378131.db2.gz VZUIDNMTZOFRPX-OAHLLOKOSA-N 2 2 348.466 2.366 20 30 EEEDLP C=C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583278 1317888325 /nfs/dbraw/zinc/88/83/25/1317888325.db2.gz ZQEMXKGWKGBQLI-SJORKVTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@@H](O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583278 1317888336 /nfs/dbraw/zinc/88/83/36/1317888336.db2.gz ZQEMXKGWKGBQLI-SJORKVTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253583278 1317888341 /nfs/dbraw/zinc/88/83/41/1317888341.db2.gz ZQEMXKGWKGBQLI-SJORKVTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253583278 1317888349 /nfs/dbraw/zinc/88/83/49/1317888349.db2.gz ZQEMXKGWKGBQLI-SJORKVTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=CCCCCC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001161305952 1320452301 /nfs/dbraw/zinc/45/23/01/1320452301.db2.gz DIDOMUNDZMNBTB-KRWDZBQOSA-N 2 2 346.475 2.203 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676897 1321938472 /nfs/dbraw/zinc/93/84/72/1321938472.db2.gz IIWSLXHIDWTRFL-LSDHHAIUSA-N 2 2 336.867 2.122 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816311 1321966961 /nfs/dbraw/zinc/96/69/61/1321966961.db2.gz VCUCIYQXTGRIHM-HUUCEWRRSA-N 2 2 336.867 2.433 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001208738170 1324646341 /nfs/dbraw/zinc/64/63/41/1324646341.db2.gz KNPHXGCIJJZSLD-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738170 1324646348 /nfs/dbraw/zinc/64/63/48/1324646348.db2.gz KNPHXGCIJJZSLD-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]Cc1ccc(C#N)cc1 ZINC001319216192 1332666352 /nfs/dbraw/zinc/66/63/52/1332666352.db2.gz YYQGFTSESMBFRS-HNNXBMFYSA-N 2 2 347.422 2.362 20 30 EEEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001073604000 1370893261 /nfs/dbraw/zinc/89/32/61/1370893261.db2.gz UEEUEKUGOIEEAX-QGZVFWFLSA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001073604000 1370893266 /nfs/dbraw/zinc/89/32/66/1370893266.db2.gz UEEUEKUGOIEEAX-QGZVFWFLSA-N 2 2 342.443 2.040 20 30 EEEDLP CN(C(=O)C#CC1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000837499960 1372788023 /nfs/dbraw/zinc/78/80/23/1372788023.db2.gz ZDCVMOVSIWMEGE-RBUKOAKNSA-N 2 2 331.504 2.195 20 30 EEEDLP CN(C(=O)C#CC1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000837499960 1372788026 /nfs/dbraw/zinc/78/80/26/1372788026.db2.gz ZDCVMOVSIWMEGE-RBUKOAKNSA-N 2 2 331.504 2.195 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755204188 1407214636 /nfs/dbraw/zinc/21/46/36/1407214636.db2.gz IEGSWDFXBUALLA-IAGOWNOFSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755204188 1407214640 /nfs/dbraw/zinc/21/46/40/1407214640.db2.gz IEGSWDFXBUALLA-IAGOWNOFSA-N 2 2 330.476 2.479 20 30 EEEDLP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755517031 1407572153 /nfs/dbraw/zinc/57/21/53/1407572153.db2.gz AIWMZPRZNJGMQC-CYBMUJFWSA-N 2 2 343.406 2.038 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966207 782659295 /nfs/dbraw/zinc/65/92/95/782659295.db2.gz QGEJRNNTZFXYIN-MSOLQXFVSA-N 2 2 336.439 2.060 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966207 782659299 /nfs/dbraw/zinc/65/92/99/782659299.db2.gz QGEJRNNTZFXYIN-MSOLQXFVSA-N 2 2 336.439 2.060 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089419108 768945260 /nfs/dbraw/zinc/94/52/60/768945260.db2.gz CGHHCFDBOTYEGS-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089419108 768945264 /nfs/dbraw/zinc/94/52/64/768945264.db2.gz CGHHCFDBOTYEGS-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112528090 770235520 /nfs/dbraw/zinc/23/55/20/770235520.db2.gz LUUIBRUFBHYOMO-YRNRMSPPSA-N 2 2 340.471 2.071 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088112317 782926503 /nfs/dbraw/zinc/92/65/03/782926503.db2.gz YPLNZBLPOUQAIV-XMTFNYHQSA-N 2 2 342.487 2.270 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088112317 782926506 /nfs/dbraw/zinc/92/65/06/782926506.db2.gz YPLNZBLPOUQAIV-XMTFNYHQSA-N 2 2 342.487 2.270 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994763 773678041 /nfs/dbraw/zinc/67/80/41/773678041.db2.gz XZCZCNFLBVJVNF-BHYGNILZSA-N 2 2 336.439 2.417 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994763 773678046 /nfs/dbraw/zinc/67/80/46/773678046.db2.gz XZCZCNFLBVJVNF-BHYGNILZSA-N 2 2 336.439 2.417 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089660838 774047187 /nfs/dbraw/zinc/04/71/87/774047187.db2.gz QGVYSXHODGFWSM-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001027971583 775436177 /nfs/dbraw/zinc/43/61/77/775436177.db2.gz HTHVDMZELVPLIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001027971583 775436181 /nfs/dbraw/zinc/43/61/81/775436181.db2.gz HTHVDMZELVPLIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027971583 775436186 /nfs/dbraw/zinc/43/61/86/775436186.db2.gz HTHVDMZELVPLIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027971583 775436191 /nfs/dbraw/zinc/43/61/91/775436191.db2.gz HTHVDMZELVPLIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028239240 779529423 /nfs/dbraw/zinc/52/94/23/779529423.db2.gz HWDBGXZINAUMID-QGZVFWFLSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028239240 779529427 /nfs/dbraw/zinc/52/94/27/779529427.db2.gz HWDBGXZINAUMID-QGZVFWFLSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@]2(C)C1 ZINC000982318358 779702023 /nfs/dbraw/zinc/70/20/23/779702023.db2.gz DWGKZJDBGXIOHI-FFZOFVMBSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@]2(C)C1 ZINC000982318358 779702028 /nfs/dbraw/zinc/70/20/28/779702028.db2.gz DWGKZJDBGXIOHI-FFZOFVMBSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001088338861 783559326 /nfs/dbraw/zinc/55/93/26/783559326.db2.gz PXPLTOGURXNSDU-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035201336 784043060 /nfs/dbraw/zinc/04/30/60/784043060.db2.gz HPAUSXAYHXLECA-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035201336 784043069 /nfs/dbraw/zinc/04/30/69/784043069.db2.gz HPAUSXAYHXLECA-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775010 784402748 /nfs/dbraw/zinc/40/27/48/784402748.db2.gz RVWKYDTVNAYULD-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001136032014 785014123 /nfs/dbraw/zinc/01/41/23/785014123.db2.gz UTAZAQDORBBKBJ-CVEARBPZSA-N 2 2 338.455 2.185 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035793802 785141968 /nfs/dbraw/zinc/14/19/68/785141968.db2.gz OMAZGNROCCEHIV-OAHLLOKOSA-N 2 2 328.460 2.330 20 30 EEEDLP C#CCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000819351032 785516644 /nfs/dbraw/zinc/51/66/44/785516644.db2.gz YHZMKCGPUONQPY-HXUWFJFHSA-N 2 2 338.451 2.281 20 30 EEEDLP C#CCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000819351032 785516647 /nfs/dbraw/zinc/51/66/47/785516647.db2.gz YHZMKCGPUONQPY-HXUWFJFHSA-N 2 2 338.451 2.281 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054350 791897938 /nfs/dbraw/zinc/89/79/38/791897938.db2.gz WXHNCOOPMDAFHN-ROUUACIJSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054350 791897941 /nfs/dbraw/zinc/89/79/41/791897941.db2.gz WXHNCOOPMDAFHN-ROUUACIJSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992396715 793950216 /nfs/dbraw/zinc/95/02/16/793950216.db2.gz XRSONLATYSQXKU-PKOBYXMFSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992396715 793950236 /nfs/dbraw/zinc/95/02/36/793950236.db2.gz XRSONLATYSQXKU-PKOBYXMFSA-N 2 2 337.427 2.180 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)c1 ZINC001078734049 796898261 /nfs/dbraw/zinc/89/82/61/796898261.db2.gz PQJZTEQJVUIOKX-ROUUACIJSA-N 2 2 349.438 2.041 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928227 797137608 /nfs/dbraw/zinc/13/76/08/797137608.db2.gz MHLXQRKICWRKGY-GDBMZVCRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C 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IWIJJDJCXYFDAV-RBUKOAKNSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004618990 802496408 /nfs/dbraw/zinc/49/64/08/802496408.db2.gz IWIJJDJCXYFDAV-RBUKOAKNSA-N 2 2 346.519 2.333 20 30 EEEDLP C[Si](C)(C)C#Cc1cc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071809 803603099 /nfs/dbraw/zinc/60/30/99/803603099.db2.gz MOSCLAJXLOZIIJ-CQSZACIVSA-N 2 2 348.910 2.012 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790160265 808462550 /nfs/dbraw/zinc/46/25/50/808462550.db2.gz PKHTUBXNGPRZKR-SFHVURJKSA-N 2 2 340.471 2.023 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790160265 808462554 /nfs/dbraw/zinc/46/25/54/808462554.db2.gz PKHTUBXNGPRZKR-SFHVURJKSA-N 2 2 340.471 2.023 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001113348651 808789640 /nfs/dbraw/zinc/78/96/40/808789640.db2.gz XRSYKRLBTLSENW-MRXNPFEDSA-N 2 2 346.475 2.383 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001464867498 1110406008 /nfs/dbraw/zinc/40/60/08/1110406008.db2.gz BQMHJIRTOGSCJU-IBGZPJMESA-N 2 2 342.487 2.168 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001464867498 1110406009 /nfs/dbraw/zinc/40/60/09/1110406009.db2.gz BQMHJIRTOGSCJU-IBGZPJMESA-N 2 2 342.487 2.168 20 30 EEEDLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)c1 ZINC001507164550 1115143438 /nfs/dbraw/zinc/14/34/38/1115143438.db2.gz QEEUCKPYOSTKEZ-INIZCTEOSA-N 2 2 339.443 2.172 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630460 781977065 /nfs/dbraw/zinc/97/70/65/781977065.db2.gz JZBPAYDOZBXWGX-YESZJQIVSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630460 781977077 /nfs/dbraw/zinc/97/70/77/781977077.db2.gz JZBPAYDOZBXWGX-YESZJQIVSA-N 2 2 330.476 2.381 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000356224077 163372237 /nfs/dbraw/zinc/37/22/37/163372237.db2.gz RIIMWBUTTQTHRQ-UHFFFAOYSA-N 2 2 341.377 2.466 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000356224077 163372240 /nfs/dbraw/zinc/37/22/40/163372240.db2.gz RIIMWBUTTQTHRQ-UHFFFAOYSA-N 2 2 341.377 2.466 20 30 EEEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C#N ZINC000533761302 270022666 /nfs/dbraw/zinc/02/26/66/270022666.db2.gz NTLDQQNWWVUGFE-MAUKXSAKSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C#N ZINC000533761302 270022667 /nfs/dbraw/zinc/02/26/67/270022667.db2.gz NTLDQQNWWVUGFE-MAUKXSAKSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C#N ZINC000533761302 270022668 /nfs/dbraw/zinc/02/26/68/270022668.db2.gz NTLDQQNWWVUGFE-MAUKXSAKSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C#N ZINC000533761302 270022669 /nfs/dbraw/zinc/02/26/69/270022669.db2.gz NTLDQQNWWVUGFE-MAUKXSAKSA-N 2 2 327.428 2.261 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000413030458 268220350 /nfs/dbraw/zinc/22/03/50/268220350.db2.gz VOPHCOWYDLMENQ-UHFFFAOYSA-N 2 2 334.427 2.245 20 30 EEEDLP C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329269410 465285638 /nfs/dbraw/zinc/28/56/38/465285638.db2.gz FDXXIYLVINUINS-LSDHHAIUSA-N 2 2 331.464 2.266 20 30 EEEDLP C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329269410 465285641 /nfs/dbraw/zinc/28/56/41/465285641.db2.gz FDXXIYLVINUINS-LSDHHAIUSA-N 2 2 331.464 2.266 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080973693 463377072 /nfs/dbraw/zinc/37/70/72/463377072.db2.gz LVQUGBMGTPTWLC-RDJZCZTQSA-N 2 2 335.411 2.266 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080973693 463377076 /nfs/dbraw/zinc/37/70/76/463377076.db2.gz LVQUGBMGTPTWLC-RDJZCZTQSA-N 2 2 335.411 2.266 20 30 EEEDLP C#CC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000491658570 468362153 /nfs/dbraw/zinc/36/21/53/468362153.db2.gz LESAKYDTQVEDEX-LJQANCHMSA-N 2 2 331.460 2.128 20 30 EEEDLP C#CC[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000491658570 468362158 /nfs/dbraw/zinc/36/21/58/468362158.db2.gz LESAKYDTQVEDEX-LJQANCHMSA-N 2 2 331.460 2.128 20 30 EEEDLP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cn1cc[nH+]c1 ZINC000278766001 463982913 /nfs/dbraw/zinc/98/29/13/463982913.db2.gz XVYZOKFXEWPHAB-MRXNPFEDSA-N 2 2 349.442 2.481 20 30 EEEDLP C[C@H](NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136847 464287354 /nfs/dbraw/zinc/28/73/54/464287354.db2.gz ZZXMNQOIRGKGTM-CMPLNLGQSA-N 2 2 345.274 2.289 20 30 EEEDLP C[C@H](NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136847 464287358 /nfs/dbraw/zinc/28/73/58/464287358.db2.gz ZZXMNQOIRGKGTM-CMPLNLGQSA-N 2 2 345.274 2.289 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000298618576 465452310 /nfs/dbraw/zinc/45/23/10/465452310.db2.gz OMHFVZYHYUYXRX-KRWDZBQOSA-N 2 2 333.480 2.271 20 30 EEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)NC(C)(C)C ZINC000181621383 464514382 /nfs/dbraw/zinc/51/43/82/464514382.db2.gz SQYMVBVAYNFPSK-OAHLLOKOSA-N 2 2 342.487 2.415 20 30 EEEDLP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272276331 464547632 /nfs/dbraw/zinc/54/76/32/464547632.db2.gz ZHPNGQAWVPRONR-SFHVURJKSA-N 2 2 326.444 2.128 20 30 EEEDLP Cc1ccc(NC(=[NH2+])NC[C@]2([NH+]3CCOCC3)CCSC2)cc1C ZINC000303904721 466242613 /nfs/dbraw/zinc/24/26/13/466242613.db2.gz YZOYEAZMEISWNW-GOSISDBHSA-N 2 2 348.516 2.238 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000365627868 466886723 /nfs/dbraw/zinc/88/67/23/466886723.db2.gz KLRDTANIFAVVPN-INIZCTEOSA-N 2 2 337.427 2.500 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000365627868 466886730 /nfs/dbraw/zinc/88/67/30/466886730.db2.gz KLRDTANIFAVVPN-INIZCTEOSA-N 2 2 337.427 2.500 20 30 EEEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)C1 ZINC000424139544 466987693 /nfs/dbraw/zinc/98/76/93/466987693.db2.gz RHDAVIRXLITYNH-TZMCWYRMSA-N 2 2 335.477 2.335 20 30 EEEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)C1 ZINC000424139544 466987699 /nfs/dbraw/zinc/98/76/99/466987699.db2.gz RHDAVIRXLITYNH-TZMCWYRMSA-N 2 2 335.477 2.335 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(Nc3cccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000450289887 467818535 /nfs/dbraw/zinc/81/85/35/467818535.db2.gz CBZRBKQXJNOHTA-UHFFFAOYSA-N 2 2 343.431 2.437 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507202 468882426 /nfs/dbraw/zinc/88/24/26/468882426.db2.gz KYXPNLFKKGWSLB-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507202 468882432 /nfs/dbraw/zinc/88/24/32/468882432.db2.gz KYXPNLFKKGWSLB-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507202 468882434 /nfs/dbraw/zinc/88/24/34/468882434.db2.gz KYXPNLFKKGWSLB-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507202 468882439 /nfs/dbraw/zinc/88/24/39/468882439.db2.gz KYXPNLFKKGWSLB-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718452 469020405 /nfs/dbraw/zinc/02/04/05/469020405.db2.gz HGMGNTATCTUMAV-GOSISDBHSA-N 2 2 329.444 2.124 20 30 EEEDLP N#Cc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718452 469020408 /nfs/dbraw/zinc/02/04/08/469020408.db2.gz HGMGNTATCTUMAV-GOSISDBHSA-N 2 2 329.444 2.124 20 30 EEEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1C#N ZINC000574025201 469246824 /nfs/dbraw/zinc/24/68/24/469246824.db2.gz BYUZEWQHCUUTDI-CQSZACIVSA-N 2 2 326.444 2.492 20 30 EEEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1OC ZINC000623470800 469667041 /nfs/dbraw/zinc/66/70/41/469667041.db2.gz CHFGUDXTCGMATA-KRWDZBQOSA-N 2 2 342.867 2.316 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635530427 470637553 /nfs/dbraw/zinc/63/75/53/470637553.db2.gz AWDCMMOBUTVROF-UHFFFAOYSA-N 2 2 340.427 2.348 20 30 EEEDLP C#CCC[NH+]1CCC(NC(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000773113710 577316856 /nfs/dbraw/zinc/31/68/56/577316856.db2.gz QBNQLFRSMPFQFW-UHFFFAOYSA-N 2 2 338.455 2.339 20 30 EEEDLP C#C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCCO1 ZINC000775573446 577439890 /nfs/dbraw/zinc/43/98/90/577439890.db2.gz YMHYBHQNBOWURS-UXHICEINSA-N 2 2 327.472 2.492 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(CC)cc2)C(C)C)CC1 ZINC000748809835 577967015 /nfs/dbraw/zinc/96/70/15/577967015.db2.gz LIPHUBWELUHGSZ-OAQYLSRUSA-N 2 2 341.499 2.313 20 30 EEEDLP C=CC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000748970575 577969711 /nfs/dbraw/zinc/96/97/11/577969711.db2.gz HRGOQMUVHABEEW-GOSISDBHSA-N 2 2 345.491 2.024 20 30 EEEDLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)n1cc[nH+]c1 ZINC000970128982 675539815 /nfs/dbraw/zinc/53/98/15/675539815.db2.gz JPOJOJWVQIFMTM-MAUKXSAKSA-N 2 2 337.427 2.097 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001021590453 676245488 /nfs/dbraw/zinc/24/54/88/676245488.db2.gz GBHGIFKEGUJHCE-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001021590453 676245489 /nfs/dbraw/zinc/24/54/89/676245489.db2.gz GBHGIFKEGUJHCE-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180182 678361858 /nfs/dbraw/zinc/36/18/58/678361858.db2.gz WABJJLDWFKPKJB-GOEBONIOSA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180182 678361861 /nfs/dbraw/zinc/36/18/61/678361861.db2.gz WABJJLDWFKPKJB-GOEBONIOSA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516189 680021102 /nfs/dbraw/zinc/02/11/02/680021102.db2.gz HMCNZVIVZDJFFN-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516189 680021109 /nfs/dbraw/zinc/02/11/09/680021109.db2.gz HMCNZVIVZDJFFN-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516189 680021116 /nfs/dbraw/zinc/02/11/16/680021116.db2.gz HMCNZVIVZDJFFN-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516189 680021123 /nfs/dbraw/zinc/02/11/23/680021123.db2.gz HMCNZVIVZDJFFN-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289811 682400937 /nfs/dbraw/zinc/40/09/37/682400937.db2.gz SXGLQGRMJUCBFU-QZTJIDSGSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289811 682400940 /nfs/dbraw/zinc/40/09/40/682400940.db2.gz SXGLQGRMJUCBFU-QZTJIDSGSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895868 682441363 /nfs/dbraw/zinc/44/13/63/682441363.db2.gz CZFGYQHQCYGHIP-CQSZACIVSA-N 2 2 345.834 2.072 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895868 682441367 /nfs/dbraw/zinc/44/13/67/682441367.db2.gz CZFGYQHQCYGHIP-CQSZACIVSA-N 2 2 345.834 2.072 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001029357778 684087592 /nfs/dbraw/zinc/08/75/92/684087592.db2.gz UTIBOAMGMZSZKT-HSALFYBXSA-N 2 2 339.483 2.054 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001029357778 684087597 /nfs/dbraw/zinc/08/75/97/684087597.db2.gz UTIBOAMGMZSZKT-HSALFYBXSA-N 2 2 339.483 2.054 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]12 ZINC001026271130 684167158 /nfs/dbraw/zinc/16/71/58/684167158.db2.gz KXAIKKWAULDDOK-BPQIPLTHSA-N 2 2 342.487 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)CC1(C)C ZINC000974685881 685222269 /nfs/dbraw/zinc/22/22/69/685222269.db2.gz LYKNBLWURQITFR-RBUKOAKNSA-N 2 2 343.515 2.411 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)CC1(C)C ZINC000974685881 685222273 /nfs/dbraw/zinc/22/22/73/685222273.db2.gz LYKNBLWURQITFR-RBUKOAKNSA-N 2 2 343.515 2.411 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)CC1(C)C ZINC000974685881 685222275 /nfs/dbraw/zinc/22/22/75/685222275.db2.gz LYKNBLWURQITFR-RBUKOAKNSA-N 2 2 343.515 2.411 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)CC1(C)C ZINC000974685881 685222277 /nfs/dbraw/zinc/22/22/77/685222277.db2.gz LYKNBLWURQITFR-RBUKOAKNSA-N 2 2 343.515 2.411 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989639462 692113790 /nfs/dbraw/zinc/11/37/90/692113790.db2.gz YFQAQGDAPNYHNM-HUUCEWRRSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001485637703 1191865510 /nfs/dbraw/zinc/86/55/10/1191865510.db2.gz DFOUTXLHIYKCHN-WBMJQRKESA-N 2 2 348.834 2.135 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093585 1193368794 /nfs/dbraw/zinc/36/87/94/1193368794.db2.gz STGVMCVGKROQIV-HOCLYGCPSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093585 1193368797 /nfs/dbraw/zinc/36/87/97/1193368797.db2.gz STGVMCVGKROQIV-HOCLYGCPSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093585 1193368800 /nfs/dbraw/zinc/36/88/00/1193368800.db2.gz STGVMCVGKROQIV-HOCLYGCPSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093585 1193368803 /nfs/dbraw/zinc/36/88/03/1193368803.db2.gz STGVMCVGKROQIV-HOCLYGCPSA-N 2 2 333.501 2.119 20 30 EEEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576707 1188191224 /nfs/dbraw/zinc/19/12/24/1188191224.db2.gz LMIJGUMAMTWNIZ-GOSISDBHSA-N 2 2 342.487 2.425 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001484067628 1191187522 /nfs/dbraw/zinc/18/75/22/1191187522.db2.gz LBDYKOACLBDMAN-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001484067628 1191187524 /nfs/dbraw/zinc/18/75/24/1191187524.db2.gz LBDYKOACLBDMAN-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001484067628 1191187526 /nfs/dbraw/zinc/18/75/26/1191187526.db2.gz LBDYKOACLBDMAN-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001484067628 1191187527 /nfs/dbraw/zinc/18/75/27/1191187527.db2.gz LBDYKOACLBDMAN-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034004524 1195647015 /nfs/dbraw/zinc/64/70/15/1195647015.db2.gz ODMYFOGADGEUTI-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034004524 1195647017 /nfs/dbraw/zinc/64/70/17/1195647017.db2.gz ODMYFOGADGEUTI-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279288 1196040137 /nfs/dbraw/zinc/04/01/37/1196040137.db2.gz QYVHDPDWQBQBDB-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279288 1196040140 /nfs/dbraw/zinc/04/01/40/1196040140.db2.gz QYVHDPDWQBQBDB-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014774804 1224330575 /nfs/dbraw/zinc/33/05/75/1224330575.db2.gz IIRONLASWHGKKH-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014774804 1224330581 /nfs/dbraw/zinc/33/05/81/1224330581.db2.gz IIRONLASWHGKKH-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014774804 1224330591 /nfs/dbraw/zinc/33/05/91/1224330591.db2.gz IIRONLASWHGKKH-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014774804 1224330602 /nfs/dbraw/zinc/33/06/02/1224330602.db2.gz IIRONLASWHGKKH-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001014780108 1224338595 /nfs/dbraw/zinc/33/85/95/1224338595.db2.gz PLZWESSZVRPSCW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001014780108 1224338607 /nfs/dbraw/zinc/33/86/07/1224338607.db2.gz PLZWESSZVRPSCW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001014780108 1224338615 /nfs/dbraw/zinc/33/86/15/1224338615.db2.gz PLZWESSZVRPSCW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001014780108 1224338622 /nfs/dbraw/zinc/33/86/22/1224338622.db2.gz PLZWESSZVRPSCW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005609227 1196546606 /nfs/dbraw/zinc/54/66/06/1196546606.db2.gz BLVNYCNIKUXOOX-OAHLLOKOSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005609227 1196546610 /nfs/dbraw/zinc/54/66/10/1196546610.db2.gz BLVNYCNIKUXOOX-OAHLLOKOSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403336 1199535680 /nfs/dbraw/zinc/53/56/80/1199535680.db2.gz MHNXCKUFAKEVRL-UONOGXRCSA-N 2 2 338.883 2.387 20 30 EEEDLP C[C@@H](CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001134498451 1199626508 /nfs/dbraw/zinc/62/65/08/1199626508.db2.gz HAVOAWLRVNPJPS-HNNXBMFYSA-N 2 2 344.846 2.245 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 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JWTGNYCAVMHKLC-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1ccnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232475462 1304139452 /nfs/dbraw/zinc/13/94/52/1304139452.db2.gz JWTGNYCAVMHKLC-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458623 1309555410 /nfs/dbraw/zinc/55/54/10/1309555410.db2.gz HVMSAVQNLWHVGO-RTBURBONSA-N 2 2 342.487 2.390 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458623 1309555412 /nfs/dbraw/zinc/55/54/12/1309555412.db2.gz HVMSAVQNLWHVGO-RTBURBONSA-N 2 2 342.487 2.390 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001121582555 1310060089 /nfs/dbraw/zinc/06/00/89/1310060089.db2.gz VVLAXIHEHCRVMQ-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001121582555 1310060098 /nfs/dbraw/zinc/06/00/98/1310060098.db2.gz VVLAXIHEHCRVMQ-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP 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1320696192 /nfs/dbraw/zinc/69/61/92/1320696192.db2.gz NJZDXBBLVMVNCC-IBGZPJMESA-N 2 2 342.487 2.399 20 30 EEEDLP C[NH+](C)C1(CNc2cc(CC#N)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164217545 1321322058 /nfs/dbraw/zinc/32/20/58/1321322058.db2.gz WOXROLUENXZDJI-UHFFFAOYSA-N 2 2 331.420 2.099 20 30 EEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203932882 1321993834 /nfs/dbraw/zinc/99/38/34/1321993834.db2.gz QEHXPMSRQVVJMO-SFHVURJKSA-N 2 2 330.476 2.231 20 30 EEEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659661 1324075078 /nfs/dbraw/zinc/07/50/78/1324075078.db2.gz HGSFIKDLBMLLNK-KURKYZTESA-N 2 2 348.491 2.109 20 30 EEEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659661 1324075083 /nfs/dbraw/zinc/07/50/83/1324075083.db2.gz HGSFIKDLBMLLNK-KURKYZTESA-N 2 2 348.491 2.109 20 30 EEEDLP CCC[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001423659462 1400725307 /nfs/dbraw/zinc/72/53/07/1400725307.db2.gz 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C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089847321 777875530 /nfs/dbraw/zinc/87/55/30/777875530.db2.gz QBSKOVBRBAOGSX-FJIDUMEYSA-N 2 2 328.460 2.018 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@]2(C)C1 ZINC000982319621 779706420 /nfs/dbraw/zinc/70/64/20/779706420.db2.gz MNVUZNMNQFLWOP-AHRSYUTCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@]2(C)C1 ZINC000982319621 779706422 /nfs/dbraw/zinc/70/64/22/779706422.db2.gz MNVUZNMNQFLWOP-AHRSYUTCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028258924 779713780 /nfs/dbraw/zinc/71/37/80/779713780.db2.gz FIYHTMWVLDYGDH-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028258924 779713786 /nfs/dbraw/zinc/71/37/86/779713786.db2.gz FIYHTMWVLDYGDH-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223232 784103470 /nfs/dbraw/zinc/10/34/70/784103470.db2.gz PIVTUMBKMXQFEK-OAHLLOKOSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223232 784103471 /nfs/dbraw/zinc/10/34/71/784103471.db2.gz PIVTUMBKMXQFEK-OAHLLOKOSA-N 2 2 328.460 2.330 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035739290 785051680 /nfs/dbraw/zinc/05/16/80/785051680.db2.gz VXLUTNSJNYILEU-UHFFFAOYSA-N 2 2 337.895 2.292 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001036035431 785652284 /nfs/dbraw/zinc/65/22/84/785652284.db2.gz AKWBAHDQDRSBGS-NVXWUHKLSA-N 2 2 330.476 2.165 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001036086147 785730959 /nfs/dbraw/zinc/73/09/59/785730959.db2.gz YSNUNWWVPJWAIL-SWLSCSKDSA-N 2 2 337.851 2.212 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC001036208251 785996484 /nfs/dbraw/zinc/99/64/84/785996484.db2.gz PCYYVNIIDPTFAK-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996279851 786210494 /nfs/dbraw/zinc/21/04/94/786210494.db2.gz VSSGQQKFYAJQOX-OCCSQVGLSA-N 2 2 336.867 2.409 20 30 EEEDLP C=C(C)C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000997176286 789326223 /nfs/dbraw/zinc/32/62/23/789326223.db2.gz WKVYQLVOUMWXHG-UHFFFAOYSA-N 2 2 325.416 2.038 20 30 EEEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCCS1 ZINC000157359853 789758520 /nfs/dbraw/zinc/75/85/20/789758520.db2.gz GPMJRGDPMHBGDV-HNNXBMFYSA-N 2 2 329.473 2.433 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045023 791881380 /nfs/dbraw/zinc/88/13/80/791881380.db2.gz INFVEDUSUKKOHF-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045023 791881384 /nfs/dbraw/zinc/88/13/84/791881384.db2.gz INFVEDUSUKKOHF-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998299485 792506651 /nfs/dbraw/zinc/50/66/51/792506651.db2.gz CSVHGBWBGHBVLJ-NEPJUHHUSA-N 2 2 344.381 2.242 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001086942130 793033733 /nfs/dbraw/zinc/03/37/33/793033733.db2.gz JRDBAZLATQGKKG-HZPDHXFCSA-N 2 2 340.471 2.166 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001086930268 793060154 /nfs/dbraw/zinc/06/01/54/793060154.db2.gz CJBLPTKJRGEHHH-IAGOWNOFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001079297778 794567839 /nfs/dbraw/zinc/56/78/39/794567839.db2.gz KEBAJZAXEFYLQQ-FUHWJXTLSA-N 2 2 342.418 2.252 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001079297778 794567847 /nfs/dbraw/zinc/56/78/47/794567847.db2.gz KEBAJZAXEFYLQQ-FUHWJXTLSA-N 2 2 342.418 2.252 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093099633 794610758 /nfs/dbraw/zinc/61/07/58/794610758.db2.gz FZWPMGPRUNZLPH-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093099633 794610759 /nfs/dbraw/zinc/61/07/59/794610759.db2.gz FZWPMGPRUNZLPH-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093371541 795102813 /nfs/dbraw/zinc/10/28/13/795102813.db2.gz SUTVJPYTCSWKIX-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093371541 795102818 /nfs/dbraw/zinc/10/28/18/795102818.db2.gz SUTVJPYTCSWKIX-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093371541 795102823 /nfs/dbraw/zinc/10/28/23/795102823.db2.gz SUTVJPYTCSWKIX-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093371541 795102827 /nfs/dbraw/zinc/10/28/27/795102827.db2.gz SUTVJPYTCSWKIX-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001081151673 796666186 /nfs/dbraw/zinc/66/61/86/796666186.db2.gz PDOWHBXVWXWYRQ-ZWKOTPCHSA-N 2 2 338.455 2.123 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C12CCC2 ZINC001078745727 796953615 /nfs/dbraw/zinc/95/36/15/796953615.db2.gz BOCRSGASKAYAMD-SJORKVTESA-N 2 2 338.455 2.388 20 30 EEEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1C#N ZINC001172969043 797175368 /nfs/dbraw/zinc/17/53/68/797175368.db2.gz VHEZLERJJSZKDV-CABCVRRESA-N 2 2 333.436 2.154 20 30 EEEDLP C=CCOC1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CC1 ZINC001173315734 797374144 /nfs/dbraw/zinc/37/41/44/797374144.db2.gz RALCRKUPDRBGPX-SSHXOBKSSA-N 2 2 339.480 2.036 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002872522 798762817 /nfs/dbraw/zinc/76/28/17/798762817.db2.gz ROFYRXODVGLXHR-SFHVURJKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002872522 798762821 /nfs/dbraw/zinc/76/28/21/798762821.db2.gz ROFYRXODVGLXHR-SFHVURJKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001180047066 800219784 /nfs/dbraw/zinc/21/97/84/800219784.db2.gz LGJNYHUEKLLRMM-UHFFFAOYSA-N 2 2 327.432 2.333 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001180351407 800371465 /nfs/dbraw/zinc/37/14/65/800371465.db2.gz BGVZHQSOLZPJLR-UHFFFAOYSA-N 2 2 347.528 2.396 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001180351407 800371472 /nfs/dbraw/zinc/37/14/72/800371472.db2.gz BGVZHQSOLZPJLR-UHFFFAOYSA-N 2 2 347.528 2.396 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673596 801027232 /nfs/dbraw/zinc/02/72/32/801027232.db2.gz ALJVNPZNFCOLJV-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673596 801027238 /nfs/dbraw/zinc/02/72/38/801027238.db2.gz ALJVNPZNFCOLJV-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673596 801027246 /nfs/dbraw/zinc/02/72/46/801027246.db2.gz ALJVNPZNFCOLJV-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085673596 801027251 /nfs/dbraw/zinc/02/72/51/801027251.db2.gz ALJVNPZNFCOLJV-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085922512 801668069 /nfs/dbraw/zinc/66/80/69/801668069.db2.gz FMMAHHOCNUVDEH-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001184438525 802018992 /nfs/dbraw/zinc/01/89/92/802018992.db2.gz ZCKBTTYUGKQQSB-HOTGVXAUSA-N 2 2 330.476 2.022 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004456840 802116413 /nfs/dbraw/zinc/11/64/13/802116413.db2.gz ILLFKXMSCGYUDX-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004456840 802116416 /nfs/dbraw/zinc/11/64/16/802116416.db2.gz ILLFKXMSCGYUDX-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004456840 802116420 /nfs/dbraw/zinc/11/64/20/802116420.db2.gz ILLFKXMSCGYUDX-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004456840 802116425 /nfs/dbraw/zinc/11/64/25/802116425.db2.gz ILLFKXMSCGYUDX-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001437751190 1090317960 /nfs/dbraw/zinc/31/79/60/1090317960.db2.gz ISPGTABKNIMAAG-AWEZNQCLSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001437751190 1090317966 /nfs/dbraw/zinc/31/79/66/1090317966.db2.gz ISPGTABKNIMAAG-AWEZNQCLSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001437751190 1090317972 /nfs/dbraw/zinc/31/79/72/1090317972.db2.gz ISPGTABKNIMAAG-AWEZNQCLSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001437751190 1090317956 /nfs/dbraw/zinc/31/79/56/1090317956.db2.gz ISPGTABKNIMAAG-AWEZNQCLSA-N 2 2 346.313 2.208 20 30 EEEDLP C#CCNC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000491475302 246042332 /nfs/dbraw/zinc/04/23/32/246042332.db2.gz VMWIUGZQWAUKOH-UHFFFAOYSA-N 2 2 336.439 2.142 20 30 EEEDLP C[S@](=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000282380948 269899646 /nfs/dbraw/zinc/89/96/46/269899646.db2.gz QRVWDDCXRFGXSU-QHCPKHFHSA-N 2 2 331.485 2.023 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865686 270022767 /nfs/dbraw/zinc/02/27/67/270022767.db2.gz WJNLWZFXHAQYRA-TZMCWYRMSA-N 2 2 341.415 2.318 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865686 270022768 /nfs/dbraw/zinc/02/27/68/270022768.db2.gz WJNLWZFXHAQYRA-TZMCWYRMSA-N 2 2 341.415 2.318 20 30 EEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131404159 290219025 /nfs/dbraw/zinc/21/90/25/290219025.db2.gz FOHNTMIQVUPHCQ-RDTXWAMCSA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131404159 290219029 /nfs/dbraw/zinc/21/90/29/290219029.db2.gz FOHNTMIQVUPHCQ-RDTXWAMCSA-N 2 2 326.444 2.033 20 30 EEEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103522 465084077 /nfs/dbraw/zinc/08/40/77/465084077.db2.gz SULYLPZQQFQTCF-WMZOPIPTSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103522 465084082 /nfs/dbraw/zinc/08/40/82/465084082.db2.gz SULYLPZQQFQTCF-WMZOPIPTSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103522 465084088 /nfs/dbraw/zinc/08/40/88/465084088.db2.gz SULYLPZQQFQTCF-WMZOPIPTSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103522 465084093 /nfs/dbraw/zinc/08/40/93/465084093.db2.gz SULYLPZQQFQTCF-WMZOPIPTSA-N 2 2 333.480 2.055 20 30 EEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1F ZINC000056312578 463390978 /nfs/dbraw/zinc/39/09/78/463390978.db2.gz OQAKAZLXNXLELA-UHFFFAOYSA-N 2 2 333.451 2.414 20 30 EEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1F ZINC000056312578 463390983 /nfs/dbraw/zinc/39/09/83/463390983.db2.gz OQAKAZLXNXLELA-UHFFFAOYSA-N 2 2 333.451 2.414 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000125932111 463592169 /nfs/dbraw/zinc/59/21/69/463592169.db2.gz BLVWDMLIYWWEDL-UHFFFAOYSA-N 2 2 336.439 2.108 20 30 EEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1nc(C)cs1 ZINC000171621647 463894582 /nfs/dbraw/zinc/89/45/82/463894582.db2.gz AVOZVXVCQSJBNN-UHFFFAOYSA-N 2 2 349.529 2.236 20 30 EEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1nc(C)cs1 ZINC000171621647 463894585 /nfs/dbraw/zinc/89/45/85/463894585.db2.gz AVOZVXVCQSJBNN-UHFFFAOYSA-N 2 2 349.529 2.236 20 30 EEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261998576 463921864 /nfs/dbraw/zinc/92/18/64/463921864.db2.gz SYVQFCDWDDKEPN-OAHLLOKOSA-N 2 2 327.432 2.351 20 30 EEEDLP [NH2+]=C(NCC[NH+]1CCSCC1)Nc1ccccc1OC(F)(F)F ZINC000269622984 464038458 /nfs/dbraw/zinc/03/84/58/464038458.db2.gz NLEGPDJYTOLVAJ-UHFFFAOYSA-N 2 2 348.394 2.361 20 30 EEEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC000264152221 464288358 /nfs/dbraw/zinc/28/83/58/464288358.db2.gz ZPKINXMMKOLIMD-AWEZNQCLSA-N 2 2 346.431 2.004 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000264554080 464371889 /nfs/dbraw/zinc/37/18/89/464371889.db2.gz MDQLOZXFSXCIKR-UHFFFAOYSA-N 2 2 338.411 2.315 20 30 EEEDLP COC(=O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182230822 464605684 /nfs/dbraw/zinc/60/56/84/464605684.db2.gz MTRVDOSBIDJABE-UHFFFAOYSA-N 2 2 329.444 2.311 20 30 EEEDLP C[C@H](C#N)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182833642 464738381 /nfs/dbraw/zinc/73/83/81/464738381.db2.gz NGEXILDDTBVTDC-NJAFHUGGSA-N 2 2 349.523 2.125 20 30 EEEDLP C[C@H](C#N)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182833642 464738388 /nfs/dbraw/zinc/73/83/88/464738388.db2.gz NGEXILDDTBVTDC-NJAFHUGGSA-N 2 2 349.523 2.125 20 30 EEEDLP CC(C)C[C@@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267138349 464918382 /nfs/dbraw/zinc/91/83/82/464918382.db2.gz GZQMMRRNHISNFY-OAHLLOKOSA-N 2 2 348.491 2.278 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275175 465525479 /nfs/dbraw/zinc/52/54/79/465525479.db2.gz IGRHDEMJOWATGO-AYBZRNKSSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275175 465525486 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HGNVRAXSPOPDOR-MOPGFXCFSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036131 1245733424 /nfs/dbraw/zinc/73/34/24/1245733424.db2.gz HGNVRAXSPOPDOR-MOPGFXCFSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000392922916 1253845326 /nfs/dbraw/zinc/84/53/26/1253845326.db2.gz GIMCVJUJSUITEZ-UHFFFAOYSA-N 2 2 337.261 2.429 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000392922916 1253845339 /nfs/dbraw/zinc/84/53/39/1253845339.db2.gz GIMCVJUJSUITEZ-UHFFFAOYSA-N 2 2 337.261 2.429 20 30 EEEDLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC#Cc1ccccc1 ZINC001072081038 1254918843 /nfs/dbraw/zinc/91/88/43/1254918843.db2.gz FXIWBZQYUMAECE-UYAOXDASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC#Cc1ccccc1 ZINC001072081038 1254918848 /nfs/dbraw/zinc/91/88/48/1254918848.db2.gz FXIWBZQYUMAECE-UYAOXDASSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294676 1282984085 /nfs/dbraw/zinc/98/40/85/1282984085.db2.gz MCEYVQVCWFJZMJ-ROUUACIJSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294676 1282984089 /nfs/dbraw/zinc/98/40/89/1282984089.db2.gz MCEYVQVCWFJZMJ-ROUUACIJSA-N 2 2 330.476 2.183 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331738 1284003326 /nfs/dbraw/zinc/00/33/26/1284003326.db2.gz CYKVENVRPBDZLS-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331738 1284003345 /nfs/dbraw/zinc/00/33/45/1284003345.db2.gz CYKVENVRPBDZLS-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C[C@@H](C)O2 ZINC001071179938 1286911909 /nfs/dbraw/zinc/91/19/09/1286911909.db2.gz CAEPHZCHUZIXOG-KUHUBIRLSA-N 2 2 340.427 2.054 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C[C@@H](C)O2 ZINC001071179938 1286911911 /nfs/dbraw/zinc/91/19/11/1286911911.db2.gz CAEPHZCHUZIXOG-KUHUBIRLSA-N 2 2 340.427 2.054 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201300785 1289447400 /nfs/dbraw/zinc/44/74/00/1289447400.db2.gz FDMRNYALUSVKQI-HZPDHXFCSA-N 2 2 330.476 2.381 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111465223 1298844787 /nfs/dbraw/zinc/84/47/87/1298844787.db2.gz KCKAWYUNFRWEFZ-QRVBRYPASA-N 2 2 340.471 2.120 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111465223 1298844803 /nfs/dbraw/zinc/84/48/03/1298844803.db2.gz KCKAWYUNFRWEFZ-QRVBRYPASA-N 2 2 340.471 2.120 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111465223 1298844820 /nfs/dbraw/zinc/84/48/20/1298844820.db2.gz KCKAWYUNFRWEFZ-QRVBRYPASA-N 2 2 340.471 2.120 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111465223 1298844841 /nfs/dbraw/zinc/84/48/41/1298844841.db2.gz KCKAWYUNFRWEFZ-QRVBRYPASA-N 2 2 340.471 2.120 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815891 1303933602 /nfs/dbraw/zinc/93/36/02/1303933602.db2.gz CTRRTNHVTWSOIG-LPHOPBHVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815891 1303933604 /nfs/dbraw/zinc/93/36/04/1303933604.db2.gz CTRRTNHVTWSOIG-LPHOPBHVSA-N 2 2 330.476 2.290 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352410 1305201539 /nfs/dbraw/zinc/20/15/39/1305201539.db2.gz AKMIEZQOSQLKDD-GOSISDBHSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352410 1305201541 /nfs/dbraw/zinc/20/15/41/1305201541.db2.gz AKMIEZQOSQLKDD-GOSISDBHSA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115603907 1305486614 /nfs/dbraw/zinc/48/66/14/1305486614.db2.gz YWWWQYXWOTUFOC-INIZCTEOSA-N 2 2 330.476 2.430 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)(COC)CC1 ZINC001162628841 1320916302 /nfs/dbraw/zinc/91/63/02/1320916302.db2.gz LCGRFQPYZTXBGI-UHFFFAOYSA-N 2 2 348.491 2.084 20 30 EEEDLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC001152529025 1316683932 /nfs/dbraw/zinc/68/39/32/1316683932.db2.gz OGZOMDHZFWBMQR-LJQANCHMSA-N 2 2 336.439 2.067 20 30 EEEDLP CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528953 1317186059 /nfs/dbraw/zinc/18/60/59/1317186059.db2.gz SKNLYLARNFSDRK-MRXNPFEDSA-N 2 2 339.443 2.172 20 30 EEEDLP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528953 1317186062 /nfs/dbraw/zinc/18/60/62/1317186062.db2.gz SKNLYLARNFSDRK-MRXNPFEDSA-N 2 2 339.443 2.172 20 30 EEEDLP CC[C@@H](CC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001255171799 1318311384 /nfs/dbraw/zinc/31/13/84/1318311384.db2.gz BCOSZAJNGMUYPU-CEXWTWQISA-N 2 2 328.460 2.297 20 30 EEEDLP CC[C@@H](CC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001255171799 1318311389 /nfs/dbraw/zinc/31/13/89/1318311389.db2.gz BCOSZAJNGMUYPU-CEXWTWQISA-N 2 2 328.460 2.297 20 30 EEEDLP CC[C@@H](CC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001255171799 1318311410 /nfs/dbraw/zinc/31/14/10/1318311410.db2.gz BCOSZAJNGMUYPU-CEXWTWQISA-N 2 2 328.460 2.297 20 30 EEEDLP C=CC[NH+]1CC=C(CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001160196030 1320095140 /nfs/dbraw/zinc/09/51/40/1320095140.db2.gz JTGWKOLBGIGKHW-SFHVURJKSA-N 2 2 343.475 2.114 20 30 EEEDLP C=CC[NH+]1CC=C(CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001160196030 1320095148 /nfs/dbraw/zinc/09/51/48/1320095148.db2.gz JTGWKOLBGIGKHW-SFHVURJKSA-N 2 2 343.475 2.114 20 30 EEEDLP C=CC[N@H+]1CC=C(CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)CC1 ZINC001160196030 1320095149 /nfs/dbraw/zinc/09/51/49/1320095149.db2.gz JTGWKOLBGIGKHW-SFHVURJKSA-N 2 2 343.475 2.114 20 30 EEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)CC1 ZINC001160196030 1320095154 /nfs/dbraw/zinc/09/51/54/1320095154.db2.gz JTGWKOLBGIGKHW-SFHVURJKSA-N 2 2 343.475 2.114 20 30 EEEDLP Cc1c[nH+]c(NCC2(c3cccnc3)CC[NH2+]CC2)c(/C=N/O)c1 ZINC001162036878 1320728886 /nfs/dbraw/zinc/72/88/86/1320728886.db2.gz OINVFWGUMXTTDN-FOKLQQMPSA-N 2 2 325.416 2.326 20 30 EEEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208068160 1324299713 /nfs/dbraw/zinc/29/97/13/1324299713.db2.gz YZYJGFSBRJGWAE-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451131 1324503518 /nfs/dbraw/zinc/50/35/18/1324503518.db2.gz ROQGXJBXGXATLT-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451131 1324503520 /nfs/dbraw/zinc/50/35/20/1324503520.db2.gz ROQGXJBXGXATLT-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001389603913 1388213720 /nfs/dbraw/zinc/21/37/20/1388213720.db2.gz DNDBOUKKUADINX-OAHLLOKOSA-N 2 2 332.835 2.493 20 30 EEEDLP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001375839450 1378048420 /nfs/dbraw/zinc/04/84/20/1378048420.db2.gz CHGYPAYFWLQXTO-PKOBYXMFSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001375839450 1378048422 /nfs/dbraw/zinc/04/84/22/1378048422.db2.gz CHGYPAYFWLQXTO-PKOBYXMFSA-N 2 2 346.450 2.118 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001381473163 1381618470 /nfs/dbraw/zinc/61/84/70/1381618470.db2.gz NWIKMYJEJZTVMR-CQSZACIVSA-N 2 2 338.883 2.272 20 30 EEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001755409002 1407419069 /nfs/dbraw/zinc/41/90/69/1407419069.db2.gz VJRJSRYTMVJDOM-HZPDHXFCSA-N 2 2 330.476 2.247 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001755409002 1407419072 /nfs/dbraw/zinc/41/90/72/1407419072.db2.gz VJRJSRYTMVJDOM-HZPDHXFCSA-N 2 2 330.476 2.247 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1ccccc1F ZINC001753083799 1406673576 /nfs/dbraw/zinc/67/35/76/1406673576.db2.gz RPXHFJVLHQNUHN-APWZRJJASA-N 2 2 345.462 2.422 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1F ZINC001753083799 1406673585 /nfs/dbraw/zinc/67/35/85/1406673585.db2.gz RPXHFJVLHQNUHN-APWZRJJASA-N 2 2 345.462 2.422 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1F ZINC001753083799 1406673596 /nfs/dbraw/zinc/67/35/96/1406673596.db2.gz RPXHFJVLHQNUHN-APWZRJJASA-N 2 2 345.462 2.422 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1F ZINC001753083799 1406673603 /nfs/dbraw/zinc/67/36/03/1406673603.db2.gz RPXHFJVLHQNUHN-APWZRJJASA-N 2 2 345.462 2.422 20 30 EEEDLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001401336177 1397168546 /nfs/dbraw/zinc/16/85/46/1397168546.db2.gz KQKJPJQTPIKHLB-MRXNPFEDSA-N 2 2 345.472 2.137 20 30 EEEDLP C=C(C)C[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCOCC1 ZINC001755095781 1407109194 /nfs/dbraw/zinc/10/91/94/1407109194.db2.gz ANASHLLWCTZWKX-UHFFFAOYSA-N 2 2 342.443 2.087 20 30 EEEDLP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001755707542 1407759787 /nfs/dbraw/zinc/75/97/87/1407759787.db2.gz SXFJAFRLAYLWBH-QGPMSJSTSA-N 2 2 336.439 2.417 20 30 EEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089422718 768980975 /nfs/dbraw/zinc/98/09/75/768980975.db2.gz BZJHQKVTXUOHQV-HZPDHXFCSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089422718 768980980 /nfs/dbraw/zinc/98/09/80/768980980.db2.gz BZJHQKVTXUOHQV-HZPDHXFCSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089422718 768980987 /nfs/dbraw/zinc/98/09/87/768980987.db2.gz BZJHQKVTXUOHQV-HZPDHXFCSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089422718 768980994 /nfs/dbraw/zinc/98/09/94/768980994.db2.gz BZJHQKVTXUOHQV-HZPDHXFCSA-N 2 2 342.487 2.063 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087423002 770074740 /nfs/dbraw/zinc/07/47/40/770074740.db2.gz GHVUOYRYKUKITL-QRVBRYPASA-N 2 2 327.472 2.241 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087423002 770074746 /nfs/dbraw/zinc/07/47/46/770074746.db2.gz GHVUOYRYKUKITL-QRVBRYPASA-N 2 2 327.472 2.241 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087423002 770074760 /nfs/dbraw/zinc/07/47/60/770074760.db2.gz GHVUOYRYKUKITL-QRVBRYPASA-N 2 2 327.472 2.241 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087423002 770074771 /nfs/dbraw/zinc/07/47/71/770074771.db2.gz GHVUOYRYKUKITL-QRVBRYPASA-N 2 2 327.472 2.241 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056050 782832549 /nfs/dbraw/zinc/83/25/49/782832549.db2.gz HFDYAZMTNPZCLU-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056050 782832557 /nfs/dbraw/zinc/83/25/57/782832557.db2.gz HFDYAZMTNPZCLU-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187396 783046044 /nfs/dbraw/zinc/04/60/44/783046044.db2.gz VQNRPBOJOLFEPP-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187396 783046046 /nfs/dbraw/zinc/04/60/46/783046046.db2.gz VQNRPBOJOLFEPP-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089659313 774033740 /nfs/dbraw/zinc/03/37/40/774033740.db2.gz XHYCWQHUZLMDRW-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089659313 774033745 /nfs/dbraw/zinc/03/37/45/774033745.db2.gz XHYCWQHUZLMDRW-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374111 779903030 /nfs/dbraw/zinc/90/30/30/779903030.db2.gz MMNRUPBQNVQTLH-CALCHBBNSA-N 2 2 336.867 2.114 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374111 779903038 /nfs/dbraw/zinc/90/30/38/779903038.db2.gz MMNRUPBQNVQTLH-CALCHBBNSA-N 2 2 336.867 2.114 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136030635 785010354 /nfs/dbraw/zinc/01/03/54/785010354.db2.gz AYVXBZGOFVMSEU-MNOVXSKESA-N 2 2 343.269 2.042 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1(C)C ZINC000996665968 787060413 /nfs/dbraw/zinc/06/04/13/787060413.db2.gz TYXNGVTXNZANKW-MRXNPFEDSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CC1(C)C ZINC000996665968 787060424 /nfs/dbraw/zinc/06/04/24/787060424.db2.gz TYXNGVTXNZANKW-MRXNPFEDSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997182946 789361800 /nfs/dbraw/zinc/36/18/00/789361800.db2.gz AGDGRRSQUJXFNL-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670299 792060351 /nfs/dbraw/zinc/06/03/51/792060351.db2.gz GVSSVRALYFKURL-XLIONFOSSA-N 2 2 336.439 2.060 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670299 792060360 /nfs/dbraw/zinc/06/03/60/792060360.db2.gz GVSSVRALYFKURL-XLIONFOSSA-N 2 2 336.439 2.060 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001086930267 793060614 /nfs/dbraw/zinc/06/06/14/793060614.db2.gz CJBLPTKJRGEHHH-DLBZAZTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798449 793268733 /nfs/dbraw/zinc/26/87/33/793268733.db2.gz WOYTYFWMOOCAPH-HLIPFELVSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798449 793268738 /nfs/dbraw/zinc/26/87/38/793268738.db2.gz WOYTYFWMOOCAPH-HLIPFELVSA-N 2 2 342.487 2.192 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966112 806305832 /nfs/dbraw/zinc/30/58/32/806305832.db2.gz DDSPEOOMKWPIOA-XODKDNOYSA-N 2 2 339.483 2.208 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966112 806305839 /nfs/dbraw/zinc/30/58/39/806305839.db2.gz DDSPEOOMKWPIOA-XODKDNOYSA-N 2 2 339.483 2.208 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777359 794959648 /nfs/dbraw/zinc/95/96/48/794959648.db2.gz AIQZRLKGQDITBN-CABCVRRESA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777359 794959655 /nfs/dbraw/zinc/95/96/55/794959655.db2.gz AIQZRLKGQDITBN-CABCVRRESA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108022545 795622154 /nfs/dbraw/zinc/62/21/54/795622154.db2.gz JSWCLKYPCQCOCG-IBGZPJMESA-N 2 2 348.491 2.100 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108022545 795622158 /nfs/dbraw/zinc/62/21/58/795622158.db2.gz JSWCLKYPCQCOCG-IBGZPJMESA-N 2 2 348.491 2.100 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882442 796329426 /nfs/dbraw/zinc/32/94/26/796329426.db2.gz LYFFVCFXJQVYSJ-ZBFHGGJFSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882442 796329430 /nfs/dbraw/zinc/32/94/30/796329430.db2.gz LYFFVCFXJQVYSJ-ZBFHGGJFSA-N 2 2 336.867 2.028 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993335992 796421633 /nfs/dbraw/zinc/42/16/33/796421633.db2.gz KZWVZMPFYKPOOW-WBVHZDCISA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993335992 796421638 /nfs/dbraw/zinc/42/16/38/796421638.db2.gz KZWVZMPFYKPOOW-WBVHZDCISA-N 2 2 330.476 2.307 20 30 EEEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389108 798323636 /nfs/dbraw/zinc/32/36/36/798323636.db2.gz LEZBEFLFWRGQTP-INIZCTEOSA-N 2 2 342.487 2.002 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389108 798323642 /nfs/dbraw/zinc/32/36/42/798323642.db2.gz LEZBEFLFWRGQTP-INIZCTEOSA-N 2 2 342.487 2.002 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001179901596 800150590 /nfs/dbraw/zinc/15/05/90/800150590.db2.gz CMARPVFPMKQYOI-UHFFFAOYSA-N 2 2 339.443 2.290 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675103 801014776 /nfs/dbraw/zinc/01/47/76/801014776.db2.gz LGXIZZARARFSAI-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675103 801014781 /nfs/dbraw/zinc/01/47/81/801014781.db2.gz LGXIZZARARFSAI-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085675103 801014786 /nfs/dbraw/zinc/01/47/86/801014786.db2.gz LGXIZZARARFSAI-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085675103 801014791 /nfs/dbraw/zinc/01/47/91/801014791.db2.gz LGXIZZARARFSAI-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001184435544 802033175 /nfs/dbraw/zinc/03/31/75/802033175.db2.gz DFSKWMZLJOVCCH-SJORKVTESA-N 2 2 344.503 2.412 20 30 EEEDLP N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498658 802232191 /nfs/dbraw/zinc/23/21/91/802232191.db2.gz OHMVFRQHYKAPPD-OALUTQOASA-N 2 2 344.503 2.087 20 30 EEEDLP N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498658 802232194 /nfs/dbraw/zinc/23/21/94/802232194.db2.gz OHMVFRQHYKAPPD-OALUTQOASA-N 2 2 344.503 2.087 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004504062 802260101 /nfs/dbraw/zinc/26/01/01/802260101.db2.gz ALNBPYXYLJYXGG-KRWDZBQOSA-N 2 2 332.492 2.087 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004504062 802260104 /nfs/dbraw/zinc/26/01/04/802260104.db2.gz ALNBPYXYLJYXGG-KRWDZBQOSA-N 2 2 332.492 2.087 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001112868666 807502194 /nfs/dbraw/zinc/50/21/94/807502194.db2.gz UCLXMJPUBYHXMY-MRXNPFEDSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001113358122 808800546 /nfs/dbraw/zinc/80/05/46/808800546.db2.gz ZAUIHLBEOQCBAU-IAGOWNOFSA-N 2 2 330.476 2.414 20 30 EEEDLP CC(C)C[C@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001130001174 811068651 /nfs/dbraw/zinc/06/86/51/811068651.db2.gz FLUAWMOPVVZIKO-GOSISDBHSA-N 2 2 339.443 2.248 20 30 EEEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439157326 1091799450 /nfs/dbraw/zinc/79/94/50/1091799450.db2.gz CWTDBLVDNUIEOJ-OAHLLOKOSA-N 2 2 339.443 2.173 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001444828137 1099773750 /nfs/dbraw/zinc/77/37/50/1099773750.db2.gz JHYAKUIENJWKBI-CABCVRRESA-N 2 2 338.883 2.322 20 30 EEEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329812416 539784323 /nfs/dbraw/zinc/78/43/23/539784323.db2.gz DCCGTAZXGUZMPK-GASCZTMLSA-N 2 2 333.480 2.369 20 30 EEEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329812416 539784325 /nfs/dbraw/zinc/78/43/25/539784325.db2.gz DCCGTAZXGUZMPK-GASCZTMLSA-N 2 2 333.480 2.369 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000356264217 238212286 /nfs/dbraw/zinc/21/22/86/238212286.db2.gz MDXMYSFSMCLDGD-SFHVURJKSA-N 2 2 342.487 2.216 20 30 EEEDLP Cc1cc(C#N)cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000456000999 244128694 /nfs/dbraw/zinc/12/86/94/244128694.db2.gz LTAQCHVZZMYIGS-UHFFFAOYSA-N 2 2 329.448 2.014 20 30 EEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000077285475 203376635 /nfs/dbraw/zinc/37/66/35/203376635.db2.gz DMLJUJMBRDWKGO-UHFFFAOYSA-N 2 2 326.400 2.479 20 30 EEEDLP C#CCn1ccc(C[N@@H+](CCCc2c[nH+]ccc2C)CCOC)n1 ZINC000491526120 246058563 /nfs/dbraw/zinc/05/85/63/246058563.db2.gz XKTGJXBQBGORGC-UHFFFAOYSA-N 2 2 326.444 2.301 20 30 EEEDLP C#CCn1ccc(C[N@H+](CCCc2c[nH+]ccc2C)CCOC)n1 ZINC000491526120 246058566 /nfs/dbraw/zinc/05/85/66/246058566.db2.gz XKTGJXBQBGORGC-UHFFFAOYSA-N 2 2 326.444 2.301 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000491622221 533154165 /nfs/dbraw/zinc/15/41/65/533154165.db2.gz FDGNBDQRSCIWEU-CYBMUJFWSA-N 2 2 347.365 2.264 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000491622221 533154171 /nfs/dbraw/zinc/15/41/71/533154171.db2.gz FDGNBDQRSCIWEU-CYBMUJFWSA-N 2 2 347.365 2.264 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000246153090 256014765 /nfs/dbraw/zinc/01/47/65/256014765.db2.gz MOPMOPPWUXCXPK-ZFWWWQNUSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000246153090 256014767 /nfs/dbraw/zinc/01/47/67/256014767.db2.gz MOPMOPPWUXCXPK-ZFWWWQNUSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C#N)c1C ZINC000246153090 256014770 /nfs/dbraw/zinc/01/47/70/256014770.db2.gz MOPMOPPWUXCXPK-ZFWWWQNUSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C#N)c1C ZINC000246153090 256014771 /nfs/dbraw/zinc/01/47/71/256014771.db2.gz MOPMOPPWUXCXPK-ZFWWWQNUSA-N 2 2 332.448 2.369 20 30 EEEDLP CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000297839665 266050599 /nfs/dbraw/zinc/05/05/99/266050599.db2.gz KLXHFMXFOJNFCO-KRWDZBQOSA-N 2 2 342.487 2.323 20 30 EEEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000297839665 266050602 /nfs/dbraw/zinc/05/06/02/266050602.db2.gz KLXHFMXFOJNFCO-KRWDZBQOSA-N 2 2 342.487 2.323 20 30 EEEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000491545842 275383421 /nfs/dbraw/zinc/38/34/21/275383421.db2.gz SLRQGOXAYYXWCV-INIZCTEOSA-N 2 2 333.501 2.250 20 30 EEEDLP C[NH+]1CCC(CNC(=O)[C@H]2CCCC(=O)N2)([NH+]2CCCCC2)CC1 ZINC000328788838 465129177 /nfs/dbraw/zinc/12/91/77/465129177.db2.gz KJINTVDXECVACS-OAHLLOKOSA-N 2 2 336.480 2.402 20 30 EEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000296756449 465232740 /nfs/dbraw/zinc/23/27/40/465232740.db2.gz FMFXAIZJXZDGOE-MRXNPFEDSA-N 2 2 348.516 2.091 20 30 EEEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000296756449 465232744 /nfs/dbraw/zinc/23/27/44/465232744.db2.gz FMFXAIZJXZDGOE-MRXNPFEDSA-N 2 2 348.516 2.091 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000329724547 465416914 /nfs/dbraw/zinc/41/69/14/465416914.db2.gz FZEPPWMFKFJFEB-HUUCEWRRSA-N 2 2 331.464 2.131 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000329724547 465416919 /nfs/dbraw/zinc/41/69/19/465416919.db2.gz FZEPPWMFKFJFEB-HUUCEWRRSA-N 2 2 331.464 2.131 20 30 EEEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000579124429 468314886 /nfs/dbraw/zinc/31/48/86/468314886.db2.gz JXWVZOFOQAAEBH-OAHLLOKOSA-N 2 2 339.443 2.050 20 30 EEEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000579124429 468314890 /nfs/dbraw/zinc/31/48/90/468314890.db2.gz JXWVZOFOQAAEBH-OAHLLOKOSA-N 2 2 339.443 2.050 20 30 EEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)CC1 ZINC000067668709 463034339 /nfs/dbraw/zinc/03/43/39/463034339.db2.gz RAYQGVJYMPHHAH-UHFFFAOYSA-N 2 2 348.450 2.236 20 30 EEEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCOCC1 ZINC000264067990 464278699 /nfs/dbraw/zinc/27/86/99/464278699.db2.gz FNBDXMXELYSJAU-SFHVURJKSA-N 2 2 330.476 2.259 20 30 EEEDLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181625692 464514401 /nfs/dbraw/zinc/51/44/01/464514401.db2.gz QZBXGEWGGRTTIZ-HZPDHXFCSA-N 2 2 342.487 2.415 20 30 EEEDLP C=CC[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000190097063 464597018 /nfs/dbraw/zinc/59/70/18/464597018.db2.gz OWRUNRUYUQZSBV-LJQANCHMSA-N 2 2 329.488 2.489 20 30 EEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000274848070 464756708 /nfs/dbraw/zinc/75/67/08/464756708.db2.gz QGIXTZGSVIPIPX-LNLFQRSKSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000274848070 464756712 /nfs/dbraw/zinc/75/67/12/464756712.db2.gz QGIXTZGSVIPIPX-LNLFQRSKSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329782895 465432863 /nfs/dbraw/zinc/43/28/63/465432863.db2.gz ODSMMNXYZPPORW-ZBFHGGJFSA-N 2 2 333.480 2.337 20 30 EEEDLP Cc1c(C#N)cccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338122589 465834274 /nfs/dbraw/zinc/83/42/74/465834274.db2.gz YEYSGHJVTRHQHG-OAHLLOKOSA-N 2 2 340.471 2.107 20 30 EEEDLP Cc1c(C#N)cccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338122589 465834282 /nfs/dbraw/zinc/83/42/82/465834282.db2.gz YEYSGHJVTRHQHG-OAHLLOKOSA-N 2 2 340.471 2.107 20 30 EEEDLP COc1ccc([C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000591570957 468485095 /nfs/dbraw/zinc/48/50/95/468485095.db2.gz LECBNMRCGJCYOF-OALUTQOASA-N 2 2 328.460 2.066 20 30 EEEDLP CN(c1snc(Cl)c1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367502635 466379835 /nfs/dbraw/zinc/37/98/35/466379835.db2.gz KHQPGNGHEIURKF-GFCCVEGCSA-N 2 2 339.896 2.273 20 30 EEEDLP CN(c1snc(Cl)c1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367502635 466379839 /nfs/dbraw/zinc/37/98/39/466379839.db2.gz KHQPGNGHEIURKF-GFCCVEGCSA-N 2 2 339.896 2.273 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458807548 467903075 /nfs/dbraw/zinc/90/30/75/467903075.db2.gz GAGUOXWACSSYQL-INIZCTEOSA-N 2 2 336.524 2.399 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458807548 467903077 /nfs/dbraw/zinc/90/30/77/467903077.db2.gz GAGUOXWACSSYQL-INIZCTEOSA-N 2 2 336.524 2.399 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(F)(F)F ZINC000601153393 468762145 /nfs/dbraw/zinc/76/21/45/468762145.db2.gz NAWWIAANJRTOEB-LRDDRELGSA-N 2 2 341.377 2.424 20 30 EEEDLP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000593031220 468845688 /nfs/dbraw/zinc/84/56/88/468845688.db2.gz XYFNRHSIULPJMP-MRXNPFEDSA-N 2 2 339.443 2.296 20 30 EEEDLP CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000593558375 469034258 /nfs/dbraw/zinc/03/42/58/469034258.db2.gz UYAXRIQBINMHMC-BPQIPLTHSA-N 2 2 334.508 2.332 20 30 EEEDLP CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000593558375 469034265 /nfs/dbraw/zinc/03/42/65/469034265.db2.gz UYAXRIQBINMHMC-BPQIPLTHSA-N 2 2 334.508 2.332 20 30 EEEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551731 469278008 /nfs/dbraw/zinc/27/80/08/469278008.db2.gz SRFBWWGBHTYGTL-SFHVURJKSA-N 2 2 327.407 2.213 20 30 EEEDLP C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000602519618 469347500 /nfs/dbraw/zinc/34/75/00/469347500.db2.gz BSHHMGINZGDPPB-INIZCTEOSA-N 2 2 343.475 2.344 20 30 EEEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609157607 469898482 /nfs/dbraw/zinc/89/84/82/469898482.db2.gz JLVRHCGPERJFCE-AWEZNQCLSA-N 2 2 327.388 2.240 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609157607 469898483 /nfs/dbraw/zinc/89/84/83/469898483.db2.gz JLVRHCGPERJFCE-AWEZNQCLSA-N 2 2 327.388 2.240 20 30 EEEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCn1cc[nH+]c1 ZINC000609168457 469899582 /nfs/dbraw/zinc/89/95/82/469899582.db2.gz RBTZRZYAZBKUGC-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)Cn2c(CC)[nH+]c3ccccc32)CC1 ZINC000171723711 526423398 /nfs/dbraw/zinc/42/33/98/526423398.db2.gz VSTAENPIIITMFA-UHFFFAOYSA-N 2 2 326.444 2.365 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000775523328 577438936 /nfs/dbraw/zinc/43/89/36/577438936.db2.gz GPTQQDJQLXATRN-FQEVSTJZSA-N 2 2 341.499 2.449 20 30 EEEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770411459 577595659 /nfs/dbraw/zinc/59/56/59/577595659.db2.gz HAJGHJCFAZRSMQ-UHFFFAOYSA-N 2 2 347.422 2.410 20 30 EEEDLP C=C(C[NH+](C)C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000764646802 577740866 /nfs/dbraw/zinc/74/08/66/577740866.db2.gz FDFVMIZZKKCXQD-UHFFFAOYSA-N 2 2 338.455 2.128 20 30 EEEDLP Cc1csc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000755944339 577835104 /nfs/dbraw/zinc/83/51/04/577835104.db2.gz XDOXQXWGHWSPIV-UHFFFAOYSA-N 2 2 346.456 2.121 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021636139 676291092 /nfs/dbraw/zinc/29/10/92/676291092.db2.gz OAOFTLZPOUJPIH-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021636139 676291095 /nfs/dbraw/zinc/29/10/95/676291095.db2.gz OAOFTLZPOUJPIH-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001021638401 676293913 /nfs/dbraw/zinc/29/39/13/676293913.db2.gz DSRGNSMAPGURHC-UYAOXDASSA-N 2 2 348.450 2.432 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711868 676369873 /nfs/dbraw/zinc/36/98/73/676369873.db2.gz FCOPSOWXPNDROY-GOEBONIOSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711868 676369875 /nfs/dbraw/zinc/36/98/75/676369875.db2.gz FCOPSOWXPNDROY-GOEBONIOSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723735 676382041 /nfs/dbraw/zinc/38/20/41/676382041.db2.gz XPMPUZDXUPGFLY-HOCLYGCPSA-N 2 2 336.867 2.326 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723735 676382042 /nfs/dbraw/zinc/38/20/42/676382042.db2.gz XPMPUZDXUPGFLY-HOCLYGCPSA-N 2 2 336.867 2.326 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023553996 679374535 /nfs/dbraw/zinc/37/45/35/679374535.db2.gz DUABFHQASCBPFE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023553996 679374536 /nfs/dbraw/zinc/37/45/36/679374536.db2.gz DUABFHQASCBPFE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001023553996 679374540 /nfs/dbraw/zinc/37/45/40/679374540.db2.gz DUABFHQASCBPFE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001023553996 679374543 /nfs/dbraw/zinc/37/45/43/679374543.db2.gz DUABFHQASCBPFE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=C)Cl)CC1 ZINC001024812680 681465671 /nfs/dbraw/zinc/46/56/71/681465671.db2.gz RBSBMBILTVJVCC-KRWDZBQOSA-N 2 2 337.895 2.055 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294819 682405526 /nfs/dbraw/zinc/40/55/26/682405526.db2.gz CVBTYEVIVUFKMO-RTBURBONSA-N 2 2 342.487 2.222 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294819 682405528 /nfs/dbraw/zinc/40/55/28/682405528.db2.gz CVBTYEVIVUFKMO-RTBURBONSA-N 2 2 342.487 2.222 20 30 EEEDLP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262007327 682806941 /nfs/dbraw/zinc/80/69/41/682806941.db2.gz VXFJMINWEXATDT-IRXDYDNUSA-N 3 2 346.523 2.216 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC000992724551 683305783 /nfs/dbraw/zinc/30/57/83/683305783.db2.gz DDVHIKXVLBEEOU-YESZJQIVSA-N 2 2 330.476 2.329 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597436 685112891 /nfs/dbraw/zinc/11/28/91/685112891.db2.gz DVIJJFCEBQODFU-RRFJBIMHSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597436 685112895 /nfs/dbraw/zinc/11/28/95/685112895.db2.gz DVIJJFCEBQODFU-RRFJBIMHSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597436 685112899 /nfs/dbraw/zinc/11/28/99/685112899.db2.gz DVIJJFCEBQODFU-RRFJBIMHSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597436 685112902 /nfs/dbraw/zinc/11/29/02/685112902.db2.gz DVIJJFCEBQODFU-RRFJBIMHSA-N 2 2 327.900 2.296 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(CC)CC)CC1(C)C ZINC000974683696 685231865 /nfs/dbraw/zinc/23/18/65/685231865.db2.gz DICRGMJUHYRBKO-ROUUACIJSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC(CC)CC)CC1(C)C ZINC000974683696 685231868 /nfs/dbraw/zinc/23/18/68/685231868.db2.gz DICRGMJUHYRBKO-ROUUACIJSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC(CC)CC)CC1(C)C ZINC000974683696 685231870 /nfs/dbraw/zinc/23/18/70/685231870.db2.gz DICRGMJUHYRBKO-ROUUACIJSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC(CC)CC)CC1(C)C ZINC000974683696 685231876 /nfs/dbraw/zinc/23/18/76/685231876.db2.gz DICRGMJUHYRBKO-ROUUACIJSA-N 2 2 333.520 2.347 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978936841 694036597 /nfs/dbraw/zinc/03/65/97/694036597.db2.gz VCYVSVLAMSUXRZ-LDLYASANSA-N 2 2 336.439 2.356 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978936841 694036600 /nfs/dbraw/zinc/03/66/00/694036600.db2.gz VCYVSVLAMSUXRZ-LDLYASANSA-N 2 2 336.439 2.356 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988743452 691137948 /nfs/dbraw/zinc/13/79/48/691137948.db2.gz MQEIOBCFOLNCNS-OLZOCXBDSA-N 2 2 343.456 2.055 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989486155 691966885 /nfs/dbraw/zinc/96/68/85/691966885.db2.gz IVPOZTXLAYAYES-HOTGVXAUSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989486155 691966886 /nfs/dbraw/zinc/96/68/86/691966886.db2.gz IVPOZTXLAYAYES-HOTGVXAUSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027463546 692211528 /nfs/dbraw/zinc/21/15/28/692211528.db2.gz CWTYFULYBJVCJB-UONOGXRCSA-N 2 2 346.313 2.158 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027463546 692211534 /nfs/dbraw/zinc/21/15/34/692211534.db2.gz CWTYFULYBJVCJB-UONOGXRCSA-N 2 2 346.313 2.158 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001088432200 1186873216 /nfs/dbraw/zinc/87/32/16/1186873216.db2.gz OMVVLAGDBQFUDL-ZWKOTPCHSA-N 2 2 330.476 2.231 20 30 EEEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213653 1195952739 /nfs/dbraw/zinc/95/27/39/1195952739.db2.gz WMAOYRDHHWRXRX-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213653 1195952745 /nfs/dbraw/zinc/95/27/45/1195952745.db2.gz WMAOYRDHHWRXRX-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001014769215 1224318676 /nfs/dbraw/zinc/31/86/76/1224318676.db2.gz IXNVKSYJXAYKPJ-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001014769215 1224318685 /nfs/dbraw/zinc/31/86/85/1224318685.db2.gz IXNVKSYJXAYKPJ-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001014769215 1224318691 /nfs/dbraw/zinc/31/86/91/1224318691.db2.gz IXNVKSYJXAYKPJ-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001014769215 1224318700 /nfs/dbraw/zinc/31/87/00/1224318700.db2.gz IXNVKSYJXAYKPJ-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP CC(C)(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001411220861 1198931379 /nfs/dbraw/zinc/93/13/79/1198931379.db2.gz ZNGHTSYKFIYIDF-INIZCTEOSA-N 2 2 339.443 2.145 20 30 EEEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125273 1199332231 /nfs/dbraw/zinc/33/22/31/1199332231.db2.gz SKFHPFHLXHVBEI-IRXDYDNUSA-N 2 2 348.491 2.098 20 30 EEEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125273 1199332235 /nfs/dbraw/zinc/33/22/35/1199332235.db2.gz SKFHPFHLXHVBEI-IRXDYDNUSA-N 2 2 348.491 2.098 20 30 EEEDLP COc1ccc([C@@H](CNC(=[NH2+])N2CCCCCC2)[NH+](C)C)cc1OC ZINC000125881678 1199596371 /nfs/dbraw/zinc/59/63/71/1199596371.db2.gz JKZISDHESSRYHG-MRXNPFEDSA-N 2 2 348.491 2.497 20 30 EEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CC[C@H]1C ZINC001133343312 1200768957 /nfs/dbraw/zinc/76/89/57/1200768957.db2.gz XFSWDMXXUZOLPK-WBVHZDCISA-N 2 2 347.528 2.366 20 30 EEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CC[C@H]1C ZINC001133343312 1200768961 /nfs/dbraw/zinc/76/89/61/1200768961.db2.gz XFSWDMXXUZOLPK-WBVHZDCISA-N 2 2 347.528 2.366 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000883131252 1202017877 /nfs/dbraw/zinc/01/78/77/1202017877.db2.gz ROIFYXLSAHUPBT-UHFFFAOYSA-N 2 2 335.249 2.142 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000883131252 1202017879 /nfs/dbraw/zinc/01/78/79/1202017879.db2.gz ROIFYXLSAHUPBT-UHFFFAOYSA-N 2 2 335.249 2.142 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34OCCO4)CC2)cc1 ZINC000883178849 1202026585 /nfs/dbraw/zinc/02/65/85/1202026585.db2.gz GNUIQDYVFTUHPP-LJQANCHMSA-N 2 2 341.455 2.408 20 30 EEEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433943 1207379154 /nfs/dbraw/zinc/37/91/54/1207379154.db2.gz KIKBAEVXZSPUFP-AEGPPILISA-N 2 2 346.862 2.422 20 30 EEEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433943 1207379157 /nfs/dbraw/zinc/37/91/57/1207379157.db2.gz KIKBAEVXZSPUFP-AEGPPILISA-N 2 2 346.862 2.422 20 30 EEEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433943 1207379160 /nfs/dbraw/zinc/37/91/60/1207379160.db2.gz KIKBAEVXZSPUFP-AEGPPILISA-N 2 2 346.862 2.422 20 30 EEEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433943 1207379162 /nfs/dbraw/zinc/37/91/62/1207379162.db2.gz KIKBAEVXZSPUFP-AEGPPILISA-N 2 2 346.862 2.422 20 30 EEEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274485 1209197087 /nfs/dbraw/zinc/19/70/87/1209197087.db2.gz FDMJCKNRNSFWQQ-NXHRZFHOSA-N 2 2 330.476 2.431 20 30 EEEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274485 1209197090 /nfs/dbraw/zinc/19/70/90/1209197090.db2.gz FDMJCKNRNSFWQQ-NXHRZFHOSA-N 2 2 330.476 2.431 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000948923401 1209454545 /nfs/dbraw/zinc/45/45/45/1209454545.db2.gz IJMLWTZZPVNIMF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000948923401 1209454547 /nfs/dbraw/zinc/45/45/47/1209454547.db2.gz IJMLWTZZPVNIMF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000948923401 1209454548 /nfs/dbraw/zinc/45/45/48/1209454548.db2.gz IJMLWTZZPVNIMF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000948923401 1209454550 /nfs/dbraw/zinc/45/45/50/1209454550.db2.gz IJMLWTZZPVNIMF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)CC1 ZINC000957603772 1215249124 /nfs/dbraw/zinc/24/91/24/1215249124.db2.gz YIKLTFKQFJFAJI-INIZCTEOSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000960329587 1216497613 /nfs/dbraw/zinc/49/76/13/1216497613.db2.gz LUGXIZVJBIGFNN-SJLPKXTDSA-N 2 2 333.863 2.207 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961415602 1217181148 /nfs/dbraw/zinc/18/11/48/1217181148.db2.gz OIHCMKPYYVVDNO-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961415602 1217181150 /nfs/dbraw/zinc/18/11/50/1217181150.db2.gz OIHCMKPYYVVDNO-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876542 1221638371 /nfs/dbraw/zinc/63/83/71/1221638371.db2.gz DCMLRBYXLUJPJB-INIZCTEOSA-N 2 2 333.501 2.417 20 30 EEEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876542 1221638373 /nfs/dbraw/zinc/63/83/73/1221638373.db2.gz DCMLRBYXLUJPJB-INIZCTEOSA-N 2 2 333.501 2.417 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001016694609 1226788699 /nfs/dbraw/zinc/78/86/99/1226788699.db2.gz FSLXKOXVEACLLB-AEFFLSMTSA-N 2 2 342.487 2.382 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001038241920 1229698538 /nfs/dbraw/zinc/69/85/38/1229698538.db2.gz XBZKGJUUWSLUCQ-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001038241920 1229698540 /nfs/dbraw/zinc/69/85/40/1229698540.db2.gz XBZKGJUUWSLUCQ-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038241920 1229698541 /nfs/dbraw/zinc/69/85/41/1229698541.db2.gz XBZKGJUUWSLUCQ-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038241920 1229698544 /nfs/dbraw/zinc/69/85/44/1229698544.db2.gz XBZKGJUUWSLUCQ-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP 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PGSCWQPYKDDFLF-CQSZACIVSA-N 2 2 345.472 2.233 20 30 EEEDLP CCCCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252535937 1317630516 /nfs/dbraw/zinc/63/05/16/1317630516.db2.gz SMIXWAMEPIMFHG-FQEVSTJZSA-N 2 2 345.487 2.290 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900399 1317781556 /nfs/dbraw/zinc/78/15/56/1317781556.db2.gz QXWCXWWJQKLTFI-CYBMUJFWSA-N 2 2 334.302 2.063 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900399 1317781561 /nfs/dbraw/zinc/78/15/61/1317781561.db2.gz QXWCXWWJQKLTFI-CYBMUJFWSA-N 2 2 334.302 2.063 20 30 EEEDLP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254851445 1318204636 /nfs/dbraw/zinc/20/46/36/1318204636.db2.gz AWBGPEKKCHXJRE-KRWDZBQOSA-N 2 2 333.476 2.191 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N2CCCC2)nc(C)[nH+]1 ZINC001159921421 1320021448 /nfs/dbraw/zinc/02/14/48/1320021448.db2.gz SOTNRUGVPQXFCV-HNNXBMFYSA-N 2 2 347.463 2.024 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N2CCCC2)[nH+]c(C)n1 ZINC001159921421 1320021450 /nfs/dbraw/zinc/02/14/50/1320021450.db2.gz SOTNRUGVPQXFCV-HNNXBMFYSA-N 2 2 347.463 2.024 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)(COC)CC1 ZINC001162590228 1320906636 /nfs/dbraw/zinc/90/66/36/1320906636.db2.gz JXXHGRFSHHZHCY-UHFFFAOYSA-N 2 2 348.491 2.072 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001366399439 1373883893 /nfs/dbraw/zinc/88/38/93/1373883893.db2.gz GLPJVISEXDFXEN-CQSZACIVSA-N 2 2 332.835 2.447 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001375374191 1377668974 /nfs/dbraw/zinc/66/89/74/1377668974.db2.gz GBMDXPPGQOJTOX-OAHLLOKOSA-N 2 2 346.500 2.186 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001375374191 1377668980 /nfs/dbraw/zinc/66/89/80/1377668980.db2.gz GBMDXPPGQOJTOX-OAHLLOKOSA-N 2 2 346.500 2.186 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)cc1F ZINC001390865503 1388831425 /nfs/dbraw/zinc/83/14/25/1388831425.db2.gz RGAPWUVWJUWBBB-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)cc1F ZINC001390865503 1388831429 /nfs/dbraw/zinc/83/14/29/1388831429.db2.gz RGAPWUVWJUWBBB-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001390865503 1388831434 /nfs/dbraw/zinc/83/14/34/1388831434.db2.gz RGAPWUVWJUWBBB-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001390865503 1388831440 /nfs/dbraw/zinc/83/14/40/1388831440.db2.gz RGAPWUVWJUWBBB-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP C#CC[C@]1(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CCC[NH2+]1 ZINC001574516898 1403521869 /nfs/dbraw/zinc/52/18/69/1403521869.db2.gz JUVJRLNLDABVOB-OXQOHEQNSA-N 2 2 342.487 2.490 20 30 EEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001574851170 1403526201 /nfs/dbraw/zinc/52/62/01/1403526201.db2.gz AVSPBWUFVYZWTA-CABCVRRESA-N 2 2 332.835 2.290 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001755678727 1407726085 /nfs/dbraw/zinc/72/60/85/1407726085.db2.gz OCFMJENQZWGTHN-CVEARBPZSA-N 2 2 330.476 2.307 20 30 EEEDLP C[C@@H](CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC001167432388 759356265 /nfs/dbraw/zinc/35/62/65/759356265.db2.gz PLFRAJDRCCZYJH-INIZCTEOSA-N 2 2 342.418 2.121 20 30 EEEDLP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@H](C)O2 ZINC001098602874 764965896 /nfs/dbraw/zinc/96/58/96/764965896.db2.gz HVVDLRLUVHHSMS-INIZCTEOSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001098602874 764965903 /nfs/dbraw/zinc/96/59/03/764965903.db2.gz HVVDLRLUVHHSMS-INIZCTEOSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089619990 773547715 /nfs/dbraw/zinc/54/77/15/773547715.db2.gz ZLNAWMZQPMCOGD-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089619990 773547721 /nfs/dbraw/zinc/54/77/21/773547721.db2.gz ZLNAWMZQPMCOGD-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089619990 773547725 /nfs/dbraw/zinc/54/77/25/773547725.db2.gz ZLNAWMZQPMCOGD-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089619990 773547730 /nfs/dbraw/zinc/54/77/30/773547730.db2.gz ZLNAWMZQPMCOGD-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649472 773778144 /nfs/dbraw/zinc/77/81/44/773778144.db2.gz JRSYFRPBVPXYCS-CVEARBPZSA-N 2 2 328.460 2.001 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649472 773778145 /nfs/dbraw/zinc/77/81/45/773778145.db2.gz JRSYFRPBVPXYCS-CVEARBPZSA-N 2 2 328.460 2.001 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089661294 774077014 /nfs/dbraw/zinc/07/70/14/774077014.db2.gz VIWGNNFYFXPZCH-FUHWJXTLSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089661294 774077018 /nfs/dbraw/zinc/07/70/18/774077018.db2.gz VIWGNNFYFXPZCH-FUHWJXTLSA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089661354 774078338 /nfs/dbraw/zinc/07/83/38/774078338.db2.gz VWUCLWHOPODFRG-AWEZNQCLSA-N 2 2 334.464 2.143 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089661354 774078341 /nfs/dbraw/zinc/07/83/41/774078341.db2.gz VWUCLWHOPODFRG-AWEZNQCLSA-N 2 2 334.464 2.143 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980464546 774664329 /nfs/dbraw/zinc/66/43/29/774664329.db2.gz COBMUGSENHIDBP-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980464546 774664333 /nfs/dbraw/zinc/66/43/33/774664333.db2.gz COBMUGSENHIDBP-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000980464546 774664338 /nfs/dbraw/zinc/66/43/38/774664338.db2.gz COBMUGSENHIDBP-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000980464546 774664344 /nfs/dbraw/zinc/66/43/44/774664344.db2.gz COBMUGSENHIDBP-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC000981953211 778650540 /nfs/dbraw/zinc/65/05/40/778650540.db2.gz JHFMQSSGAXXDTN-IBGZPJMESA-N 2 2 339.483 2.057 20 30 EEEDLP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC000981953211 778650546 /nfs/dbraw/zinc/65/05/46/778650546.db2.gz JHFMQSSGAXXDTN-IBGZPJMESA-N 2 2 339.483 2.057 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981953211 778650551 /nfs/dbraw/zinc/65/05/51/778650551.db2.gz JHFMQSSGAXXDTN-IBGZPJMESA-N 2 2 339.483 2.057 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981953211 778650558 /nfs/dbraw/zinc/65/05/58/778650558.db2.gz JHFMQSSGAXXDTN-IBGZPJMESA-N 2 2 339.483 2.057 20 30 EEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000982164732 779193305 /nfs/dbraw/zinc/19/33/05/779193305.db2.gz YFEGMDUKBVLSEX-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000982164732 779193310 /nfs/dbraw/zinc/19/33/10/779193310.db2.gz YFEGMDUKBVLSEX-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338525 783558617 /nfs/dbraw/zinc/55/86/17/783558617.db2.gz IAIDPDFKPQRLPT-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338525 783558624 /nfs/dbraw/zinc/55/86/24/783558624.db2.gz IAIDPDFKPQRLPT-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709458 784992998 /nfs/dbraw/zinc/99/29/98/784992998.db2.gz WRMUPYLDQUETEZ-QGZVFWFLSA-N 2 2 342.487 2.344 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136030634 785010290 /nfs/dbraw/zinc/01/02/90/785010290.db2.gz AYVXBZGOFVMSEU-GHMZBOCLSA-N 2 2 343.269 2.042 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001136031745 785012582 /nfs/dbraw/zinc/01/25/82/785012582.db2.gz PLZWPZMQNXRWBJ-VXGBXAGGSA-N 2 2 345.472 2.267 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001036086151 785731004 /nfs/dbraw/zinc/73/10/04/785731004.db2.gz YSNUNWWVPJWAIL-WFASDCNBSA-N 2 2 337.851 2.212 20 30 EEEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560689 791341821 /nfs/dbraw/zinc/34/18/21/791341821.db2.gz CNKYFRRWUJWZHI-LSDHHAIUSA-N 2 2 333.501 2.002 20 30 EEEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560689 791341826 /nfs/dbraw/zinc/34/18/26/791341826.db2.gz CNKYFRRWUJWZHI-LSDHHAIUSA-N 2 2 333.501 2.002 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418270 792431259 /nfs/dbraw/zinc/43/12/59/792431259.db2.gz FFRCWVFCDWDHLA-CVEARBPZSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418270 792431267 /nfs/dbraw/zinc/43/12/67/792431267.db2.gz FFRCWVFCDWDHLA-CVEARBPZSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418270 792431273 /nfs/dbraw/zinc/43/12/73/792431273.db2.gz FFRCWVFCDWDHLA-CVEARBPZSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418270 792431281 /nfs/dbraw/zinc/43/12/81/792431281.db2.gz FFRCWVFCDWDHLA-CVEARBPZSA-N 2 2 330.476 2.477 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091889842 793354459 /nfs/dbraw/zinc/35/44/59/793354459.db2.gz UFJXLWVJQUNZRF-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091889842 793354469 /nfs/dbraw/zinc/35/44/69/793354469.db2.gz UFJXLWVJQUNZRF-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992396711 793951044 /nfs/dbraw/zinc/95/10/44/793951044.db2.gz XRSONLATYSQXKU-IEBWSBKVSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992396711 793951048 /nfs/dbraw/zinc/95/10/48/793951048.db2.gz XRSONLATYSQXKU-IEBWSBKVSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153441 795127755 /nfs/dbraw/zinc/12/77/55/795127755.db2.gz BIGKYQLENIBYGT-HZPDHXFCSA-N 2 2 330.476 2.022 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]Cc3ccc(C#N)cc3)ccn12 ZINC001127292684 795222229 /nfs/dbraw/zinc/22/22/29/795222229.db2.gz KDDRHYJYUCBFHP-UHFFFAOYSA-N 2 2 333.395 2.034 20 30 EEEDLP C[NH+]1CCN(c2cccc([NH+]=C(NO)c3ccccc3N)c2)CC1 ZINC001212716188 797326249 /nfs/dbraw/zinc/32/62/49/797326249.db2.gz VYGLWMPUEQTXKE-UHFFFAOYSA-N 2 2 325.416 2.078 20 30 EEEDLP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261948806 799679289 /nfs/dbraw/zinc/67/92/89/799679289.db2.gz GRSIKDARQPFUQU-WMZOPIPTSA-N 3 2 346.523 2.216 20 30 EEEDLP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261948806 799679300 /nfs/dbraw/zinc/67/93/00/799679300.db2.gz GRSIKDARQPFUQU-WMZOPIPTSA-N 3 2 346.523 2.216 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085248283 800286133 /nfs/dbraw/zinc/28/61/33/800286133.db2.gz CHUJEHXYEUFDGE-NUEKZKHPSA-N 2 2 336.867 2.215 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001108434823 803566963 /nfs/dbraw/zinc/56/69/63/803566963.db2.gz XYKYIGXLFKIXNP-IBGZPJMESA-N 2 2 349.475 2.128 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001108434823 803566968 /nfs/dbraw/zinc/56/69/68/803566968.db2.gz XYKYIGXLFKIXNP-IBGZPJMESA-N 2 2 349.475 2.128 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460873 805512833 /nfs/dbraw/zinc/51/28/33/805512833.db2.gz CZQFCHAXQNABDZ-LMSBXDPUSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460873 805512838 /nfs/dbraw/zinc/51/28/38/805512838.db2.gz CZQFCHAXQNABDZ-LMSBXDPUSA-N 2 2 328.460 2.133 20 30 EEEDLP CC(C)C[C@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001130001142 811069453 /nfs/dbraw/zinc/06/94/53/811069453.db2.gz DPIVLHKSGYXHFC-GOSISDBHSA-N 2 2 339.443 2.248 20 30 EEEDLP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001446111736 1092145654 /nfs/dbraw/zinc/14/56/54/1092145654.db2.gz WZMOPBCZRUKDNF-AWEZNQCLSA-N 2 2 334.489 2.042 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001446111736 1092145661 /nfs/dbraw/zinc/14/56/61/1092145661.db2.gz WZMOPBCZRUKDNF-AWEZNQCLSA-N 2 2 334.489 2.042 20 30 EEEDLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001446111736 1092145666 /nfs/dbraw/zinc/14/56/66/1092145666.db2.gz WZMOPBCZRUKDNF-AWEZNQCLSA-N 2 2 334.489 2.042 20 30 EEEDLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001446111736 1092145671 /nfs/dbraw/zinc/14/56/71/1092145671.db2.gz WZMOPBCZRUKDNF-AWEZNQCLSA-N 2 2 334.489 2.042 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)cc1 ZINC001495947942 1101809316 /nfs/dbraw/zinc/80/93/16/1101809316.db2.gz FDODBDNWWOAMAD-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328773295 539760964 /nfs/dbraw/zinc/76/09/64/539760964.db2.gz BNRUDNYREOQOIK-INIZCTEOSA-N 2 2 327.432 2.309 20 30 EEEDLP Cn1cc(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181658421 234272031 /nfs/dbraw/zinc/27/20/31/234272031.db2.gz XDWFGJPLOUWDIS-UHFFFAOYSA-N 2 2 337.471 2.479 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000491630241 246089007 /nfs/dbraw/zinc/08/90/07/246089007.db2.gz PAGIBMDFCRDXPF-OAHLLOKOSA-N 2 2 346.475 2.456 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865684 270022852 /nfs/dbraw/zinc/02/28/52/270022852.db2.gz WJNLWZFXHAQYRA-JSGCOSHPSA-N 2 2 341.415 2.318 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865684 270022853 /nfs/dbraw/zinc/02/28/53/270022853.db2.gz WJNLWZFXHAQYRA-JSGCOSHPSA-N 2 2 341.415 2.318 20 30 EEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000285149247 267179872 /nfs/dbraw/zinc/17/98/72/267179872.db2.gz PCRGJLJSJBOMNG-AQXGTKIOSA-N 2 2 340.471 2.292 20 30 EEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000285149247 267179875 /nfs/dbraw/zinc/17/98/75/267179875.db2.gz PCRGJLJSJBOMNG-AQXGTKIOSA-N 2 2 340.471 2.292 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865077 275745178 /nfs/dbraw/zinc/74/51/78/275745178.db2.gz XBCMFRZAFFQGAO-ICSRJNTNSA-N 3 2 327.472 2.482 20 30 EEEDLP C[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328748309 465117419 /nfs/dbraw/zinc/11/74/19/465117419.db2.gz BFPDDXPUJJWJJP-OAGGEKHMSA-N 2 2 333.480 2.244 20 30 EEEDLP C[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000328748309 465117427 /nfs/dbraw/zinc/11/74/27/465117427.db2.gz BFPDDXPUJJWJJP-OAGGEKHMSA-N 2 2 333.480 2.244 20 30 EEEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328783984 465127695 /nfs/dbraw/zinc/12/76/95/465127695.db2.gz GQAGXSNCVUOLPK-PMPSAXMXSA-N 2 2 333.480 2.244 20 30 EEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328783984 465127701 /nfs/dbraw/zinc/12/77/01/465127701.db2.gz GQAGXSNCVUOLPK-PMPSAXMXSA-N 2 2 333.480 2.244 20 30 EEEDLP NC(=[NH+]OCCC1OCCO1)c1ccccc1C[NH+]1CCCCC1 ZINC000120204465 462972866 /nfs/dbraw/zinc/97/28/66/462972866.db2.gz YTXMMZFRXNBXLU-UHFFFAOYSA-N 2 2 333.432 2.072 20 30 EEEDLP COc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1OC ZINC000170906186 463738379 /nfs/dbraw/zinc/73/83/79/463738379.db2.gz ZTJMAZURKIQIIJ-AWEZNQCLSA-N 2 2 343.431 2.128 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC(=O)NC3CC3)CC2)cc1 ZINC000181511681 464499523 /nfs/dbraw/zinc/49/95/23/464499523.db2.gz WQUHDPVTJNPTFG-UHFFFAOYSA-N 2 2 340.471 2.171 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000295103043 464706453 /nfs/dbraw/zinc/70/64/53/464706453.db2.gz WHBXSVZCUJYPEH-AWEZNQCLSA-N 2 2 329.423 2.321 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000295103043 464706457 /nfs/dbraw/zinc/70/64/57/464706457.db2.gz WHBXSVZCUJYPEH-AWEZNQCLSA-N 2 2 329.423 2.321 20 30 EEEDLP C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)([NH+](C)C)C1 ZINC000329619715 465388789 /nfs/dbraw/zinc/38/87/89/465388789.db2.gz QXBJBLIQMHQXMF-GLJUWKHASA-N 2 2 333.480 2.281 20 30 EEEDLP C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)([NH+](C)C)C1 ZINC000329619715 465388794 /nfs/dbraw/zinc/38/87/94/465388794.db2.gz QXBJBLIQMHQXMF-GLJUWKHASA-N 2 2 333.480 2.281 20 30 EEEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCCCC1 ZINC000329709278 465412159 /nfs/dbraw/zinc/41/21/59/465412159.db2.gz LNDDEWCBRYITFT-AWEZNQCLSA-N 2 2 333.480 2.425 20 30 EEEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCCCC1 ZINC000329709278 465412165 /nfs/dbraw/zinc/41/21/65/465412165.db2.gz LNDDEWCBRYITFT-AWEZNQCLSA-N 2 2 333.480 2.425 20 30 EEEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329935874 465479492 /nfs/dbraw/zinc/47/94/92/465479492.db2.gz CSWLXETWBPCBHU-HNNXBMFYSA-N 2 2 331.464 2.051 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)nc[nH+]1 ZINC000330233832 465579423 /nfs/dbraw/zinc/57/94/23/465579423.db2.gz SJJOJXLLNSJMLQ-CABCVRRESA-N 2 2 344.463 2.070 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)nc[nH+]1 ZINC000330233832 465579430 /nfs/dbraw/zinc/57/94/30/465579430.db2.gz SJJOJXLLNSJMLQ-CABCVRRESA-N 2 2 344.463 2.070 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH+]cn1 ZINC000330233832 465579438 /nfs/dbraw/zinc/57/94/38/465579438.db2.gz SJJOJXLLNSJMLQ-CABCVRRESA-N 2 2 344.463 2.070 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH+]cn1 ZINC000330233832 465579445 /nfs/dbraw/zinc/57/94/45/465579445.db2.gz SJJOJXLLNSJMLQ-CABCVRRESA-N 2 2 344.463 2.070 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000344512063 465630474 /nfs/dbraw/zinc/63/04/74/465630474.db2.gz JYNKFKVHAUKISX-HXUWFJFHSA-N 2 2 339.414 2.424 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000344512063 465630482 /nfs/dbraw/zinc/63/04/82/465630482.db2.gz JYNKFKVHAUKISX-HXUWFJFHSA-N 2 2 339.414 2.424 20 30 EEEDLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C#N ZINC000371300707 465699505 /nfs/dbraw/zinc/69/95/05/465699505.db2.gz BOPIHOMSXZINGW-LPHOPBHVSA-N 2 2 342.487 2.025 20 30 EEEDLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C#N ZINC000371300707 465699510 /nfs/dbraw/zinc/69/95/10/465699510.db2.gz BOPIHOMSXZINGW-LPHOPBHVSA-N 2 2 342.487 2.025 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000593975311 468450247 /nfs/dbraw/zinc/45/02/47/468450247.db2.gz JNCHSYLBWDPSQI-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000593975311 468450250 /nfs/dbraw/zinc/45/02/50/468450250.db2.gz JNCHSYLBWDPSQI-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000593975311 468450253 /nfs/dbraw/zinc/45/02/53/468450253.db2.gz JNCHSYLBWDPSQI-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000593975311 468450258 /nfs/dbraw/zinc/45/02/58/468450258.db2.gz JNCHSYLBWDPSQI-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000369037603 466711506 /nfs/dbraw/zinc/71/15/06/466711506.db2.gz ZASWGOXVOPHLBD-PKOBYXMFSA-N 2 2 329.444 2.322 20 30 EEEDLP CC#CC[NH2+]Cc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179000 471236828 /nfs/dbraw/zinc/23/68/28/471236828.db2.gz DMJFVTMOTJOOBG-UHFFFAOYSA-N 2 2 337.471 2.425 20 30 EEEDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000528426642 467683635 /nfs/dbraw/zinc/68/36/35/467683635.db2.gz VLEIRFJIZJPXEG-BPQIPLTHSA-N 2 2 340.427 2.078 20 30 EEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000528426642 467683640 /nfs/dbraw/zinc/68/36/40/467683640.db2.gz VLEIRFJIZJPXEG-BPQIPLTHSA-N 2 2 340.427 2.078 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000518984708 468133132 /nfs/dbraw/zinc/13/31/32/468133132.db2.gz FAHHNDAECWLYDN-WMZOPIPTSA-N 2 2 330.476 2.260 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000518984706 468133309 /nfs/dbraw/zinc/13/33/09/468133309.db2.gz FAHHNDAECWLYDN-SJLPKXTDSA-N 2 2 330.476 2.260 20 30 EEEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000595302854 468807024 /nfs/dbraw/zinc/80/70/24/468807024.db2.gz MIKQJXHSWREDES-QGZVFWFLSA-N 2 2 331.460 2.103 20 30 EEEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000595302854 468807025 /nfs/dbraw/zinc/80/70/25/468807025.db2.gz MIKQJXHSWREDES-QGZVFWFLSA-N 2 2 331.460 2.103 20 30 EEEDLP CCn1nnc(C)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691884 469096901 /nfs/dbraw/zinc/09/69/01/469096901.db2.gz SYFDUEGERKTRGC-UHFFFAOYSA-N 2 2 338.459 2.232 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673773294 485526807 /nfs/dbraw/zinc/52/68/07/485526807.db2.gz CMQHYTILJKXFMT-UHFFFAOYSA-N 2 2 341.459 2.135 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000730098022 576714628 /nfs/dbraw/zinc/71/46/28/576714628.db2.gz RAQBNYNPVXZTAQ-WDSOQIARSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000730098022 576714631 /nfs/dbraw/zinc/71/46/31/576714631.db2.gz RAQBNYNPVXZTAQ-WDSOQIARSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000730098022 576714632 /nfs/dbraw/zinc/71/46/32/576714632.db2.gz RAQBNYNPVXZTAQ-WDSOQIARSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000730098022 576714635 /nfs/dbraw/zinc/71/46/35/576714635.db2.gz RAQBNYNPVXZTAQ-WDSOQIARSA-N 2 2 325.456 2.036 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cn[nH]c(=O)c3Cl)cc2)CC1 ZINC000771550165 577217581 /nfs/dbraw/zinc/21/75/81/577217581.db2.gz DNOAFKWLTYXCPA-UHFFFAOYSA-N 2 2 346.822 2.033 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3c(F)cccc3Cl)cn2)CC1 ZINC000769827070 577585440 /nfs/dbraw/zinc/58/54/40/577585440.db2.gz NAXGSIFCOKTUFH-UHFFFAOYSA-N 2 2 348.813 2.467 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414559 679297780 /nfs/dbraw/zinc/29/77/80/679297780.db2.gz WDADNOMIENMEHW-HUUCEWRRSA-N 2 2 336.867 2.341 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414559 679297781 /nfs/dbraw/zinc/29/77/81/679297781.db2.gz WDADNOMIENMEHW-HUUCEWRRSA-N 2 2 336.867 2.341 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023450912 679316063 /nfs/dbraw/zinc/31/60/63/679316063.db2.gz AUOGBQDCHTUKLH-HOTGVXAUSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023450912 679316064 /nfs/dbraw/zinc/31/60/64/679316064.db2.gz AUOGBQDCHTUKLH-HOTGVXAUSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023450912 679316065 /nfs/dbraw/zinc/31/60/65/679316065.db2.gz AUOGBQDCHTUKLH-HOTGVXAUSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023450912 679316067 /nfs/dbraw/zinc/31/60/67/679316067.db2.gz AUOGBQDCHTUKLH-HOTGVXAUSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974753707 685403458 /nfs/dbraw/zinc/40/34/58/685403458.db2.gz QVILTOVHXKYWFT-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974753707 685403460 /nfs/dbraw/zinc/40/34/60/685403460.db2.gz QVILTOVHXKYWFT-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262022582 682878214 /nfs/dbraw/zinc/87/82/14/682878214.db2.gz ZCOXDRXWUKGHSI-SZMVWBNQSA-N 2 2 347.507 2.283 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029342980 684044219 /nfs/dbraw/zinc/04/42/19/684044219.db2.gz OSYCVCPGJMQLID-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029342980 684044222 /nfs/dbraw/zinc/04/42/22/684044222.db2.gz OSYCVCPGJMQLID-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029342980 684044225 /nfs/dbraw/zinc/04/42/25/684044225.db2.gz OSYCVCPGJMQLID-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029342980 684044228 /nfs/dbraw/zinc/04/42/28/684044228.db2.gz OSYCVCPGJMQLID-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC000990812664 693895622 /nfs/dbraw/zinc/89/56/22/693895622.db2.gz DQWLYDFVPCYHPP-YQVWRLOYSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC000990812664 693895628 /nfs/dbraw/zinc/89/56/28/693895628.db2.gz DQWLYDFVPCYHPP-YQVWRLOYSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC000990812664 693895632 /nfs/dbraw/zinc/89/56/32/693895632.db2.gz DQWLYDFVPCYHPP-YQVWRLOYSA-N 2 2 343.475 2.089 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 ZINC000990815239 693909681 /nfs/dbraw/zinc/90/96/81/693909681.db2.gz JZHGFYHMWYFMQO-FXAWDEMLSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 ZINC000990815239 693909685 /nfs/dbraw/zinc/90/96/85/693909685.db2.gz JZHGFYHMWYFMQO-FXAWDEMLSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966636 685788058 /nfs/dbraw/zinc/78/80/58/685788058.db2.gz CHBUGUUMFYZIPD-KKUMJFAQSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966636 685788062 /nfs/dbraw/zinc/78/80/62/685788062.db2.gz CHBUGUUMFYZIPD-KKUMJFAQSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966636 685788068 /nfs/dbraw/zinc/78/80/68/685788068.db2.gz CHBUGUUMFYZIPD-KKUMJFAQSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966636 685788072 /nfs/dbraw/zinc/78/80/72/685788072.db2.gz CHBUGUUMFYZIPD-KKUMJFAQSA-N 2 2 327.900 2.296 20 30 EEEDLP C=CC[N@@H+](C)C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000985700633 687509127 /nfs/dbraw/zinc/50/91/27/687509127.db2.gz CLBNUJLSTHCMGJ-UHFFFAOYSA-N 2 2 326.444 2.294 20 30 EEEDLP C=CC[N@H+](C)C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000985700633 687509131 /nfs/dbraw/zinc/50/91/31/687509131.db2.gz CLBNUJLSTHCMGJ-UHFFFAOYSA-N 2 2 326.444 2.294 20 30 EEEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001027416127 688019904 /nfs/dbraw/zinc/01/99/04/688019904.db2.gz ZRKZBGDUHZHWQX-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001027416127 688019909 /nfs/dbraw/zinc/01/99/09/688019909.db2.gz ZRKZBGDUHZHWQX-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001088432198 1186872847 /nfs/dbraw/zinc/87/28/47/1186872847.db2.gz OMVVLAGDBQFUDL-QZTJIDSGSA-N 2 2 330.476 2.231 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112216149 1187138366 /nfs/dbraw/zinc/13/83/66/1187138366.db2.gz UDNGGJUGZNWXMN-ZIAGYGMSSA-N 2 2 344.381 2.218 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105541495 1188154234 /nfs/dbraw/zinc/15/42/34/1188154234.db2.gz BJKDJTLWYRYXOO-QGZVFWFLSA-N 2 2 328.460 2.117 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105541495 1188154236 /nfs/dbraw/zinc/15/42/36/1188154236.db2.gz BJKDJTLWYRYXOO-QGZVFWFLSA-N 2 2 328.460 2.117 20 30 EEEDLP N#CC1(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000842039155 1188241573 /nfs/dbraw/zinc/24/15/73/1188241573.db2.gz KZVCGYLBNJMKKX-INIZCTEOSA-N 2 2 328.416 2.080 20 30 EEEDLP N#CC1(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000842039155 1188241577 /nfs/dbraw/zinc/24/15/77/1188241577.db2.gz KZVCGYLBNJMKKX-INIZCTEOSA-N 2 2 328.416 2.080 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579829 1194905674 /nfs/dbraw/zinc/90/56/74/1194905674.db2.gz RAZGLXHFAXVGSQ-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579829 1194905677 /nfs/dbraw/zinc/90/56/77/1194905677.db2.gz RAZGLXHFAXVGSQ-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034220001 1195960272 /nfs/dbraw/zinc/96/02/72/1195960272.db2.gz UWPXTTFCWCSEGW-INIZCTEOSA-N 2 2 330.476 2.309 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034220001 1195960276 /nfs/dbraw/zinc/96/02/76/1195960276.db2.gz UWPXTTFCWCSEGW-INIZCTEOSA-N 2 2 330.476 2.309 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474052 1196262721 /nfs/dbraw/zinc/26/27/21/1196262721.db2.gz NDNAKAYDWWBWTO-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474052 1196262724 /nfs/dbraw/zinc/26/27/24/1196262724.db2.gz NDNAKAYDWWBWTO-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001034682123 1196530865 /nfs/dbraw/zinc/53/08/65/1196530865.db2.gz IIFWOYMXTITBPN-RBSFLKMASA-N 2 2 336.867 2.215 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014941067 1224560887 /nfs/dbraw/zinc/56/08/87/1224560887.db2.gz MMMZBPFTPAXJNI-QGZVFWFLSA-N 2 2 345.406 2.439 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014941067 1224560892 /nfs/dbraw/zinc/56/08/92/1224560892.db2.gz MMMZBPFTPAXJNI-QGZVFWFLSA-N 2 2 345.406 2.439 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132999191 1200283784 /nfs/dbraw/zinc/28/37/84/1200283784.db2.gz ZCRDPGWQQSBZDC-HIFRSBDPSA-N 2 2 338.883 2.179 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001133237532 1200648440 /nfs/dbraw/zinc/64/84/40/1200648440.db2.gz FPDWEFQTSDGOMT-JKSUJKDBSA-N 2 2 339.443 2.141 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1Cl ZINC001276127504 1205790011 /nfs/dbraw/zinc/79/00/11/1205790011.db2.gz DQHBSOBZYMCMMY-CALCHBBNSA-N 2 2 332.879 2.422 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001276127504 1205790012 /nfs/dbraw/zinc/79/00/12/1205790012.db2.gz DQHBSOBZYMCMMY-CALCHBBNSA-N 2 2 332.879 2.422 20 30 EEEDLP CCC[N@H+](CC(=O)NCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190209 1207919752 /nfs/dbraw/zinc/91/97/52/1207919752.db2.gz AGOXHFARCWPNJV-UHFFFAOYSA-N 2 2 342.487 2.393 20 30 EEEDLP CCC[N@@H+](CC(=O)NCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190209 1207919753 /nfs/dbraw/zinc/91/97/53/1207919753.db2.gz AGOXHFARCWPNJV-UHFFFAOYSA-N 2 2 342.487 2.393 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CCC ZINC000948929707 1209458105 /nfs/dbraw/zinc/45/81/05/1209458105.db2.gz QWACLWZLFMPNIN-VQTJNVASSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CCC ZINC000948929707 1209458106 /nfs/dbraw/zinc/45/81/06/1209458106.db2.gz QWACLWZLFMPNIN-VQTJNVASSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[NH+]1CCC ZINC000948929707 1209458109 /nfs/dbraw/zinc/45/81/09/1209458109.db2.gz QWACLWZLFMPNIN-VQTJNVASSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[NH+]1CCC ZINC000948929707 1209458111 /nfs/dbraw/zinc/45/81/11/1209458111.db2.gz QWACLWZLFMPNIN-VQTJNVASSA-N 2 2 339.483 2.210 20 30 EEEDLP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000948933131 1209460825 /nfs/dbraw/zinc/46/08/25/1209460825.db2.gz VYJFHKQEFGKWAE-MOPGFXCFSA-N 2 2 327.472 2.372 20 30 EEEDLP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000948933131 1209460828 /nfs/dbraw/zinc/46/08/28/1209460828.db2.gz VYJFHKQEFGKWAE-MOPGFXCFSA-N 2 2 327.472 2.372 20 30 EEEDLP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948933131 1209460831 /nfs/dbraw/zinc/46/08/31/1209460831.db2.gz VYJFHKQEFGKWAE-MOPGFXCFSA-N 2 2 327.472 2.372 20 30 EEEDLP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948933131 1209460833 /nfs/dbraw/zinc/46/08/33/1209460833.db2.gz VYJFHKQEFGKWAE-MOPGFXCFSA-N 2 2 327.472 2.372 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111308973 1210104883 /nfs/dbraw/zinc/10/48/83/1210104883.db2.gz GKQPHWUJMVOYAZ-QRVBRYPASA-N 2 2 340.471 2.122 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111308973 1210104884 /nfs/dbraw/zinc/10/48/84/1210104884.db2.gz GKQPHWUJMVOYAZ-QRVBRYPASA-N 2 2 340.471 2.122 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111308973 1210104885 /nfs/dbraw/zinc/10/48/85/1210104885.db2.gz GKQPHWUJMVOYAZ-QRVBRYPASA-N 2 2 340.471 2.122 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111308973 1210104886 /nfs/dbraw/zinc/10/48/86/1210104886.db2.gz GKQPHWUJMVOYAZ-QRVBRYPASA-N 2 2 340.471 2.122 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000961431292 1217187273 /nfs/dbraw/zinc/18/72/73/1217187273.db2.gz KFFWFEXKRQAGRY-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000961431292 1217187275 /nfs/dbraw/zinc/18/72/75/1217187275.db2.gz KFFWFEXKRQAGRY-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917040 1221667889 /nfs/dbraw/zinc/66/78/89/1221667889.db2.gz MNCBNKLTPWKAMA-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917040 1221667892 /nfs/dbraw/zinc/66/78/92/1221667892.db2.gz MNCBNKLTPWKAMA-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001007645998 1222343289 /nfs/dbraw/zinc/34/32/89/1222343289.db2.gz NLPAWGFUWMBIKP-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001007645998 1222343295 /nfs/dbraw/zinc/34/32/95/1222343295.db2.gz NLPAWGFUWMBIKP-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007645998 1222343299 /nfs/dbraw/zinc/34/32/99/1222343299.db2.gz NLPAWGFUWMBIKP-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007645998 1222343303 /nfs/dbraw/zinc/34/33/03/1222343303.db2.gz NLPAWGFUWMBIKP-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009679580 1223330319 /nfs/dbraw/zinc/33/03/19/1223330319.db2.gz DUDCPTNMHOBVRU-MRXNPFEDSA-N 2 2 331.460 2.339 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009679580 1223330321 /nfs/dbraw/zinc/33/03/21/1223330321.db2.gz DUDCPTNMHOBVRU-MRXNPFEDSA-N 2 2 331.460 2.339 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001017948783 1227909629 /nfs/dbraw/zinc/90/96/29/1227909629.db2.gz IQGYFPOQLQZCCE-IYBDPMFKSA-N 2 2 344.459 2.135 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001017948783 1227909637 /nfs/dbraw/zinc/90/96/37/1227909637.db2.gz IQGYFPOQLQZCCE-IYBDPMFKSA-N 2 2 344.459 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001039169940 1230394710 /nfs/dbraw/zinc/39/47/10/1230394710.db2.gz IDOBDRARMRWUPO-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001039169940 1230394717 /nfs/dbraw/zinc/39/47/17/1230394717.db2.gz IDOBDRARMRWUPO-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039209465 1230436373 /nfs/dbraw/zinc/43/63/73/1230436373.db2.gz JHSQFZGTGMVFSL-SJLPKXTDSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039209465 1230436374 /nfs/dbraw/zinc/43/63/74/1230436374.db2.gz JHSQFZGTGMVFSL-SJLPKXTDSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039209465 1230436376 /nfs/dbraw/zinc/43/63/76/1230436376.db2.gz JHSQFZGTGMVFSL-SJLPKXTDSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039209465 1230436377 /nfs/dbraw/zinc/43/63/77/1230436377.db2.gz JHSQFZGTGMVFSL-SJLPKXTDSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216718 1230445261 /nfs/dbraw/zinc/44/52/61/1230445261.db2.gz RJFDFTCFZMQZKQ-DLBZAZTESA-N 2 2 336.439 2.284 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216718 1230445263 /nfs/dbraw/zinc/44/52/63/1230445263.db2.gz RJFDFTCFZMQZKQ-DLBZAZTESA-N 2 2 336.439 2.284 20 30 EEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001039284426 1230508926 /nfs/dbraw/zinc/50/89/26/1230508926.db2.gz PKRKULQIYMDPGN-XYTVBORESA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001040752309 1231357742 /nfs/dbraw/zinc/35/77/42/1231357742.db2.gz FMOIFFCJUPSVAL-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050138760 1242960937 /nfs/dbraw/zinc/96/09/37/1242960937.db2.gz QOOCWHKXKSNIAZ-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050138760 1242960946 /nfs/dbraw/zinc/96/09/46/1242960946.db2.gz QOOCWHKXKSNIAZ-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050138760 1242960952 /nfs/dbraw/zinc/96/09/52/1242960952.db2.gz QOOCWHKXKSNIAZ-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050138760 1242960959 /nfs/dbraw/zinc/96/09/59/1242960959.db2.gz QOOCWHKXKSNIAZ-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001053035339 1245730293 /nfs/dbraw/zinc/73/02/93/1245730293.db2.gz ZKBOLAMDCDMCEU-MSOLQXFVSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001053035339 1245730301 /nfs/dbraw/zinc/73/03/01/1245730301.db2.gz ZKBOLAMDCDMCEU-MSOLQXFVSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507786 1247448845 /nfs/dbraw/zinc/44/88/45/1247448845.db2.gz XWDQFWDRWXOQES-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507786 1247448850 /nfs/dbraw/zinc/44/88/50/1247448850.db2.gz XWDQFWDRWXOQES-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507786 1247448855 /nfs/dbraw/zinc/44/88/55/1247448855.db2.gz XWDQFWDRWXOQES-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507786 1247448858 /nfs/dbraw/zinc/44/88/58/1247448858.db2.gz XWDQFWDRWXOQES-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054148136 1247526548 /nfs/dbraw/zinc/52/65/48/1247526548.db2.gz HKMPFBPCENKNGP-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054148136 1247526553 /nfs/dbraw/zinc/52/65/53/1247526553.db2.gz HKMPFBPCENKNGP-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054148136 1247526560 /nfs/dbraw/zinc/52/65/60/1247526560.db2.gz HKMPFBPCENKNGP-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054148136 1247526567 /nfs/dbraw/zinc/52/65/67/1247526567.db2.gz HKMPFBPCENKNGP-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001054154819 1247549153 /nfs/dbraw/zinc/54/91/53/1247549153.db2.gz HLCYKDXCCTXTLO-YLJYHZDGSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001054154819 1247549160 /nfs/dbraw/zinc/54/91/60/1247549160.db2.gz HLCYKDXCCTXTLO-YLJYHZDGSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001071518032 1254305243 /nfs/dbraw/zinc/30/52/43/1254305243.db2.gz MFFVHQSYSXQSSN-JKSUJKDBSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001071518032 1254305250 /nfs/dbraw/zinc/30/52/50/1254305250.db2.gz MFFVHQSYSXQSSN-JKSUJKDBSA-N 2 2 330.476 2.307 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263469 1258050502 /nfs/dbraw/zinc/05/05/02/1258050502.db2.gz DTBDIMNGCGETJJ-NVXWUHKLSA-N 2 2 330.476 2.218 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263469 1258050513 /nfs/dbraw/zinc/05/05/13/1258050513.db2.gz DTBDIMNGCGETJJ-NVXWUHKLSA-N 2 2 330.476 2.218 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099263469 1258050523 /nfs/dbraw/zinc/05/05/23/1258050523.db2.gz DTBDIMNGCGETJJ-NVXWUHKLSA-N 2 2 330.476 2.218 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099263469 1258050530 /nfs/dbraw/zinc/05/05/30/1258050530.db2.gz DTBDIMNGCGETJJ-NVXWUHKLSA-N 2 2 330.476 2.218 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)c1 ZINC001110510484 1285190127 /nfs/dbraw/zinc/19/01/27/1285190127.db2.gz HAYKRYJKGBWJPL-KURKYZTESA-N 2 2 349.438 2.136 20 30 EEEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)c1 ZINC001110510484 1285190132 /nfs/dbraw/zinc/19/01/32/1285190132.db2.gz HAYKRYJKGBWJPL-KURKYZTESA-N 2 2 349.438 2.136 20 30 EEEDLP C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219483058 1298038601 /nfs/dbraw/zinc/03/86/01/1298038601.db2.gz OGUNMKHAOBJFES-HIFRSBDPSA-N 2 2 335.911 2.197 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222992597 1299946608 /nfs/dbraw/zinc/94/66/08/1299946608.db2.gz ILAYODUMCKLTNT-LMMKCTJWSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222992597 1299946610 /nfs/dbraw/zinc/94/66/10/1299946610.db2.gz ILAYODUMCKLTNT-LMMKCTJWSA-N 2 2 342.487 2.335 20 30 EEEDLP C#CCC[NH+]1CCC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001223541182 1300169359 /nfs/dbraw/zinc/16/93/59/1300169359.db2.gz JWYMUQHAPCYHQS-SFHVURJKSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073484 1301674791 /nfs/dbraw/zinc/67/47/91/1301674791.db2.gz NDISIFVYFBMCPT-IAGOWNOFSA-N 2 2 342.443 2.396 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233388079 1304455283 /nfs/dbraw/zinc/45/52/83/1304455283.db2.gz KQNLSBMJTUUXCI-UHFFFAOYSA-N 2 2 340.471 2.055 20 30 EEEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423057 1320160012 /nfs/dbraw/zinc/16/00/12/1320160012.db2.gz LFQMWUQZIRSURX-GOSISDBHSA-N 2 2 328.460 2.242 20 30 EEEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423057 1320160019 /nfs/dbraw/zinc/16/00/19/1320160019.db2.gz LFQMWUQZIRSURX-GOSISDBHSA-N 2 2 328.460 2.242 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)(COC)CC1 ZINC001162384468 1320842128 /nfs/dbraw/zinc/84/21/28/1320842128.db2.gz WDKVTARXDBPJKK-UHFFFAOYSA-N 2 2 348.491 2.084 20 30 EEEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001162992858 1321007844 /nfs/dbraw/zinc/00/78/44/1321007844.db2.gz ZKHWFFWAPKOOTH-UHFFFAOYSA-N 2 2 340.471 2.498 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)s1 ZINC001166408514 1321714200 /nfs/dbraw/zinc/71/42/00/1321714200.db2.gz VVSHWNQQAFCUAS-AWEZNQCLSA-N 2 2 343.456 2.059 20 30 EEEDLP C#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cc1 ZINC001276558995 1324336457 /nfs/dbraw/zinc/33/64/57/1324336457.db2.gz ZJINKTCSNAPWPM-OAQYLSRUSA-N 2 2 348.450 2.026 20 30 EEEDLP C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cc1 ZINC001276558995 1324336462 /nfs/dbraw/zinc/33/64/62/1324336462.db2.gz ZJINKTCSNAPWPM-OAQYLSRUSA-N 2 2 348.450 2.026 20 30 EEEDLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)Cc1cccc(C#N)c1 ZINC001282431776 1325719481 /nfs/dbraw/zinc/71/94/81/1325719481.db2.gz ULGHHAGMIXQRAY-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001282431776 1325719483 /nfs/dbraw/zinc/71/94/83/1325719483.db2.gz ULGHHAGMIXQRAY-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)CC[NH+]1CCCCC1 ZINC001338795631 1336909204 /nfs/dbraw/zinc/90/92/04/1336909204.db2.gz OTQQCJRRLJWHFU-UHFFFAOYSA-N 2 2 346.523 2.372 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001339530186 1337022204 /nfs/dbraw/zinc/02/22/04/1337022204.db2.gz YLBKJADYHPIBCP-CVEARBPZSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001339530186 1337022206 /nfs/dbraw/zinc/02/22/06/1337022206.db2.gz YLBKJADYHPIBCP-CVEARBPZSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001339530186 1337022209 /nfs/dbraw/zinc/02/22/09/1337022209.db2.gz YLBKJADYHPIBCP-CVEARBPZSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001339530186 1337022212 /nfs/dbraw/zinc/02/22/12/1337022212.db2.gz YLBKJADYHPIBCP-CVEARBPZSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201336347 1368805869 /nfs/dbraw/zinc/80/58/69/1368805869.db2.gz MMLJLKQZTJJYJV-CVEARBPZSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001390158708 1388470346 /nfs/dbraw/zinc/47/03/46/1388470346.db2.gz IKNQAEMGEHKMSJ-LSDHHAIUSA-N 2 2 338.883 2.322 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001390158708 1388470350 /nfs/dbraw/zinc/47/03/50/1388470350.db2.gz IKNQAEMGEHKMSJ-LSDHHAIUSA-N 2 2 338.883 2.322 20 30 EEEDLP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001393115043 1390326829 /nfs/dbraw/zinc/32/68/29/1390326829.db2.gz NKLUVTLCILUPFO-PKOBYXMFSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001393115043 1390326832 /nfs/dbraw/zinc/32/68/32/1390326832.db2.gz NKLUVTLCILUPFO-PKOBYXMFSA-N 2 2 346.450 2.118 20 30 EEEDLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CCC1 ZINC001398234088 1391957909 /nfs/dbraw/zinc/95/79/09/1391957909.db2.gz OGWIPFJMPKTBTL-CQSZACIVSA-N 2 2 346.500 2.185 20 30 EEEDLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001753414196 1406737627 /nfs/dbraw/zinc/73/76/27/1406737627.db2.gz CTJAEIOJXJWUSI-UHFFFAOYSA-N 2 2 347.890 2.081 20 30 EEEDLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001753414196 1406737634 /nfs/dbraw/zinc/73/76/34/1406737634.db2.gz CTJAEIOJXJWUSI-UHFFFAOYSA-N 2 2 347.890 2.081 20 30 EEEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001755888293 1407950093 /nfs/dbraw/zinc/95/00/93/1407950093.db2.gz UGOXXTWZBSZASD-HNNXBMFYSA-N 2 2 331.863 2.167 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001755888293 1407950094 /nfs/dbraw/zinc/95/00/94/1407950094.db2.gz UGOXXTWZBSZASD-HNNXBMFYSA-N 2 2 331.863 2.167 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495644 769882753 /nfs/dbraw/zinc/88/27/53/769882753.db2.gz YBJPVVOIRRYTKI-ARFHVFGLSA-N 2 2 330.476 2.316 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495644 769882765 /nfs/dbraw/zinc/88/27/65/769882765.db2.gz YBJPVVOIRRYTKI-ARFHVFGLSA-N 2 2 330.476 2.316 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC001027940000 774713234 /nfs/dbraw/zinc/71/32/34/774713234.db2.gz DBRJKSBDAQFHPS-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC001027940000 774713239 /nfs/dbraw/zinc/71/32/39/774713239.db2.gz DBRJKSBDAQFHPS-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C)c1 ZINC001027940000 774713243 /nfs/dbraw/zinc/71/32/43/774713243.db2.gz DBRJKSBDAQFHPS-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C)c1 ZINC001027940000 774713248 /nfs/dbraw/zinc/71/32/48/774713248.db2.gz DBRJKSBDAQFHPS-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017722 776183255 /nfs/dbraw/zinc/18/32/55/776183255.db2.gz GHISOIUNNSWEFI-OAHLLOKOSA-N 2 2 345.834 2.214 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017722 776183258 /nfs/dbraw/zinc/18/32/58/776183258.db2.gz GHISOIUNNSWEFI-OAHLLOKOSA-N 2 2 345.834 2.214 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001089825272 777110984 /nfs/dbraw/zinc/11/09/84/777110984.db2.gz ASVLHIKBVPURQZ-VERUCKTNSA-N 2 2 348.450 2.369 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001089825272 777110986 /nfs/dbraw/zinc/11/09/86/777110986.db2.gz ASVLHIKBVPURQZ-VERUCKTNSA-N 2 2 348.450 2.369 20 30 EEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000981778782 778183566 /nfs/dbraw/zinc/18/35/66/778183566.db2.gz PSETZYQZXGLRHV-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000981778782 778183571 /nfs/dbraw/zinc/18/35/71/778183571.db2.gz PSETZYQZXGLRHV-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021936 778898588 /nfs/dbraw/zinc/89/85/88/778898588.db2.gz NKUSRZXUNJUQCX-HZPDHXFCSA-N 2 2 328.460 2.024 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021936 778898595 /nfs/dbraw/zinc/89/85/95/778898595.db2.gz NKUSRZXUNJUQCX-HZPDHXFCSA-N 2 2 328.460 2.024 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000948388136 781433718 /nfs/dbraw/zinc/43/37/18/781433718.db2.gz AMAXREKYYLRCGN-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000948388136 781433724 /nfs/dbraw/zinc/43/37/24/781433724.db2.gz AMAXREKYYLRCGN-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001088317899 783490086 /nfs/dbraw/zinc/49/00/86/783490086.db2.gz QWWXKQTZTCBCRG-INIZCTEOSA-N 2 2 330.476 2.309 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035798036 785149275 /nfs/dbraw/zinc/14/92/75/785149275.db2.gz KHPKCHVTMQYRLD-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035798036 785149280 /nfs/dbraw/zinc/14/92/80/785149280.db2.gz KHPKCHVTMQYRLD-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000996581073 786670979 /nfs/dbraw/zinc/67/09/79/786670979.db2.gz VMJCZWHRSZFZHR-SJLPKXTDSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170986800 787182363 /nfs/dbraw/zinc/18/23/63/787182363.db2.gz BIFZQXFFZLTYJM-OAHLLOKOSA-N 2 2 327.432 2.332 20 30 EEEDLP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098820347 787264162 /nfs/dbraw/zinc/26/41/62/787264162.db2.gz IDIZYNGRUIWAJV-FUHWJXTLSA-N 2 2 342.487 2.363 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(NCCC)c(C)c[nH+]1 ZINC001171067845 788305575 /nfs/dbraw/zinc/30/55/75/788305575.db2.gz FXVOVQJXAVLHJH-AWEZNQCLSA-N 2 2 335.452 2.246 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991469371 789008570 /nfs/dbraw/zinc/00/85/70/789008570.db2.gz GCXXKFUPBMISKN-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991469371 789008582 /nfs/dbraw/zinc/00/85/82/789008582.db2.gz GCXXKFUPBMISKN-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000948825103 791301289 /nfs/dbraw/zinc/30/12/89/791301289.db2.gz WAIGAZSIGHAADK-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000948825103 791301292 /nfs/dbraw/zinc/30/12/92/791301292.db2.gz WAIGAZSIGHAADK-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583741 791687887 /nfs/dbraw/zinc/68/78/87/791687887.db2.gz BINXUSNMRUUQAK-GBESFXJTSA-N 2 2 329.488 2.092 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583741 791687892 /nfs/dbraw/zinc/68/78/92/791687892.db2.gz BINXUSNMRUUQAK-GBESFXJTSA-N 2 2 329.488 2.092 20 30 EEEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032583741 791687899 /nfs/dbraw/zinc/68/78/99/791687899.db2.gz BINXUSNMRUUQAK-GBESFXJTSA-N 2 2 329.488 2.092 20 30 EEEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032583741 791687906 /nfs/dbraw/zinc/68/79/06/791687906.db2.gz BINXUSNMRUUQAK-GBESFXJTSA-N 2 2 329.488 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998118915 791998243 /nfs/dbraw/zinc/99/82/43/791998243.db2.gz YIAIPPQSJBQNCU-CVEARBPZSA-N 2 2 328.460 2.166 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091794816 793264033 /nfs/dbraw/zinc/26/40/33/793264033.db2.gz FCGIZUHZMIEYED-HLIPFELVSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091794816 793264039 /nfs/dbraw/zinc/26/40/39/793264039.db2.gz FCGIZUHZMIEYED-HLIPFELVSA-N 2 2 342.487 2.192 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000999410791 794426679 /nfs/dbraw/zinc/42/66/79/794426679.db2.gz HKRFUSWVDPSUAU-RCCFBDPRSA-N 2 2 349.438 2.166 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000999410791 794426683 /nfs/dbraw/zinc/42/66/83/794426683.db2.gz HKRFUSWVDPSUAU-RCCFBDPRSA-N 2 2 349.438 2.166 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000999678458 794817538 /nfs/dbraw/zinc/81/75/38/794817538.db2.gz DYWJAOIKZJCGCD-UHFFFAOYSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080552847 796177131 /nfs/dbraw/zinc/17/71/31/796177131.db2.gz NIJLQSRRKJFUGJ-BMFZPTHFSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080552847 796177135 /nfs/dbraw/zinc/17/71/35/796177135.db2.gz NIJLQSRRKJFUGJ-BMFZPTHFSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080552847 796177138 /nfs/dbraw/zinc/17/71/38/796177138.db2.gz NIJLQSRRKJFUGJ-BMFZPTHFSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080552847 796177139 /nfs/dbraw/zinc/17/71/39/796177139.db2.gz NIJLQSRRKJFUGJ-BMFZPTHFSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001094924911 797020448 /nfs/dbraw/zinc/02/04/48/797020448.db2.gz RPJGYZWLTYYDRO-JZXOWHBKSA-N 2 2 342.487 2.307 20 30 EEEDLP C=CCOC1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC1 ZINC001173316992 797374717 /nfs/dbraw/zinc/37/47/17/797374717.db2.gz QTUYTCLXTADIPV-GUMHCPJTSA-N 2 2 329.488 2.302 20 30 EEEDLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994404583 797955924 /nfs/dbraw/zinc/95/59/24/797955924.db2.gz FUJXAQATRGQFMK-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994404583 797955926 /nfs/dbraw/zinc/95/59/26/797955926.db2.gz FUJXAQATRGQFMK-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029095 798621509 /nfs/dbraw/zinc/62/15/09/798621509.db2.gz JFXMDCZGWBMMMW-VYDXJSESSA-N 2 2 328.460 2.329 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029095 798621514 /nfs/dbraw/zinc/62/15/14/798621514.db2.gz JFXMDCZGWBMMMW-VYDXJSESSA-N 2 2 328.460 2.329 20 30 EEEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177301260 798833696 /nfs/dbraw/zinc/83/36/96/798833696.db2.gz TXBFBXQKCADNJW-UHFFFAOYSA-N 2 2 330.476 2.364 20 30 EEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586686 806700869 /nfs/dbraw/zinc/70/08/69/806700869.db2.gz LFTKUWGBNXDSSB-NSHGMRRFSA-N 2 2 342.487 2.089 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250007 800287519 /nfs/dbraw/zinc/28/75/19/800287519.db2.gz BEXXDVHKDZAUHX-ARFHVFGLSA-N 2 2 330.476 2.416 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250007 800287522 /nfs/dbraw/zinc/28/75/22/800287522.db2.gz BEXXDVHKDZAUHX-ARFHVFGLSA-N 2 2 330.476 2.416 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1 ZINC001085647573 800986264 /nfs/dbraw/zinc/98/62/64/800986264.db2.gz OVQWSZFVFRRLJA-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C)cc1 ZINC001085647573 800986266 /nfs/dbraw/zinc/98/62/66/800986266.db2.gz OVQWSZFVFRRLJA-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C)cc1 ZINC001085647573 800986268 /nfs/dbraw/zinc/98/62/68/800986268.db2.gz OVQWSZFVFRRLJA-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C)cc1 ZINC001085647573 800986272 /nfs/dbraw/zinc/98/62/72/800986272.db2.gz OVQWSZFVFRRLJA-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994730 801878721 /nfs/dbraw/zinc/87/87/21/801878721.db2.gz SPYVYFHSZIABJN-INIZCTEOSA-N 2 2 331.460 2.291 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994730 801878728 /nfs/dbraw/zinc/87/87/28/801878728.db2.gz SPYVYFHSZIABJN-INIZCTEOSA-N 2 2 331.460 2.291 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004456831 802116568 /nfs/dbraw/zinc/11/65/68/802116568.db2.gz ILLFKXMSCGYUDX-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004456831 802116574 /nfs/dbraw/zinc/11/65/74/802116574.db2.gz ILLFKXMSCGYUDX-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004456831 802116579 /nfs/dbraw/zinc/11/65/79/802116579.db2.gz ILLFKXMSCGYUDX-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004456831 802116585 /nfs/dbraw/zinc/11/65/85/802116585.db2.gz ILLFKXMSCGYUDX-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001108337273 803319326 /nfs/dbraw/zinc/31/93/26/803319326.db2.gz WVLJKRZUQSPEKT-LJQANCHMSA-N 2 2 339.524 2.282 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001108337273 803319329 /nfs/dbraw/zinc/31/93/29/803319329.db2.gz WVLJKRZUQSPEKT-LJQANCHMSA-N 2 2 339.524 2.282 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109307919 805265064 /nfs/dbraw/zinc/26/50/64/805265064.db2.gz HTBTXLISHWERNA-SQNIBIBYSA-N 2 2 342.487 2.450 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109307919 805265074 /nfs/dbraw/zinc/26/50/74/805265074.db2.gz HTBTXLISHWERNA-SQNIBIBYSA-N 2 2 342.487 2.450 20 30 EEEDLP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678644 811997896 /nfs/dbraw/zinc/99/78/96/811997896.db2.gz NRIONCXHHDCLJL-NSHGMRRFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678644 811997902 /nfs/dbraw/zinc/99/79/02/811997902.db2.gz NRIONCXHHDCLJL-NSHGMRRFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678644 811997907 /nfs/dbraw/zinc/99/79/07/811997907.db2.gz NRIONCXHHDCLJL-NSHGMRRFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678644 811997908 /nfs/dbraw/zinc/99/79/08/811997908.db2.gz NRIONCXHHDCLJL-NSHGMRRFSA-N 2 2 349.519 2.034 20 30 EEEDLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438523692 1091016067 /nfs/dbraw/zinc/01/60/67/1091016067.db2.gz CWBAGYIUDZFZLM-LSDHHAIUSA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438523692 1091016072 /nfs/dbraw/zinc/01/60/72/1091016072.db2.gz CWBAGYIUDZFZLM-LSDHHAIUSA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1)n1cc[nH+]c1 ZINC001439656514 1092585802 /nfs/dbraw/zinc/58/58/02/1092585802.db2.gz QEDQISYECZJWIC-CYBMUJFWSA-N 2 2 343.456 2.206 20 30 EEEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000491729621 533163331 /nfs/dbraw/zinc/16/33/31/533163331.db2.gz IPJPYTKOIWXKKK-IBGZPJMESA-N 2 2 327.472 2.189 20 30 EEEDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cn2)CC1 ZINC000357762205 153332672 /nfs/dbraw/zinc/33/26/72/153332672.db2.gz PEJZFCPINVIHAX-UHFFFAOYSA-N 2 2 339.418 2.134 20 30 EEEDLP CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159986531 280840254 /nfs/dbraw/zinc/84/02/54/280840254.db2.gz IGFSHBKXSOSDKF-YESZJQIVSA-N 2 2 333.480 2.301 20 30 EEEDLP [O-]C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328618587 465074437 /nfs/dbraw/zinc/07/44/37/465074437.db2.gz VFOJNUGFSRFUJU-RDJZCZTQSA-N 2 2 345.491 2.499 20 30 EEEDLP [O-]C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328618587 465074442 /nfs/dbraw/zinc/07/44/42/465074442.db2.gz VFOJNUGFSRFUJU-RDJZCZTQSA-N 2 2 345.491 2.499 20 30 EEEDLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000328618587 465074452 /nfs/dbraw/zinc/07/44/52/465074452.db2.gz VFOJNUGFSRFUJU-RDJZCZTQSA-N 2 2 345.491 2.499 20 30 EEEDLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000328618587 465074456 /nfs/dbraw/zinc/07/44/56/465074456.db2.gz VFOJNUGFSRFUJU-RDJZCZTQSA-N 2 2 345.491 2.499 20 30 EEEDLP CCNC(=O)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000339432103 465269638 /nfs/dbraw/zinc/26/96/38/465269638.db2.gz BSQUFBLCMIQKTD-LJQANCHMSA-N 2 2 342.487 2.273 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927105 463097670 /nfs/dbraw/zinc/09/76/70/463097670.db2.gz YHKHSXFIBYFVQT-BHIYHBOVSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927105 463097675 /nfs/dbraw/zinc/09/76/75/463097675.db2.gz YHKHSXFIBYFVQT-BHIYHBOVSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134927105 463097679 /nfs/dbraw/zinc/09/76/79/463097679.db2.gz YHKHSXFIBYFVQT-BHIYHBOVSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134927105 463097682 /nfs/dbraw/zinc/09/76/82/463097682.db2.gz YHKHSXFIBYFVQT-BHIYHBOVSA-N 2 2 338.455 2.033 20 30 EEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166096759 463651201 /nfs/dbraw/zinc/65/12/01/463651201.db2.gz FRZJWNMCKYBSIF-QGZVFWFLSA-N 2 2 328.460 2.101 20 30 EEEDLP CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000171233659 463821282 /nfs/dbraw/zinc/82/12/82/463821282.db2.gz LFKWMXPONWOHMG-OAHLLOKOSA-N 2 2 346.475 2.224 20 30 EEEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079260 464281364 /nfs/dbraw/zinc/28/13/64/464281364.db2.gz ICUZPZJDXXEOSX-DLBZAZTESA-N 3 2 347.507 2.195 20 30 EEEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079260 464281366 /nfs/dbraw/zinc/28/13/66/464281366.db2.gz ICUZPZJDXXEOSX-DLBZAZTESA-N 3 2 347.507 2.195 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292964937 464379907 /nfs/dbraw/zinc/37/99/07/464379907.db2.gz LSJXFLHLXXLVBA-KXBFYZLASA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292964937 464379913 /nfs/dbraw/zinc/37/99/13/464379913.db2.gz LSJXFLHLXXLVBA-KXBFYZLASA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292964937 464379921 /nfs/dbraw/zinc/37/99/21/464379921.db2.gz LSJXFLHLXXLVBA-KXBFYZLASA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292964937 464379926 /nfs/dbraw/zinc/37/99/26/464379926.db2.gz LSJXFLHLXXLVBA-KXBFYZLASA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247343021 464669146 /nfs/dbraw/zinc/66/91/46/464669146.db2.gz GSYCFOKTUMYPRZ-IXDOHACOSA-N 2 2 343.475 2.497 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247343021 464669148 /nfs/dbraw/zinc/66/91/48/464669148.db2.gz GSYCFOKTUMYPRZ-IXDOHACOSA-N 2 2 343.475 2.497 20 30 EEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247356767 464670625 /nfs/dbraw/zinc/67/06/25/464670625.db2.gz HATOJFPAUFZPFF-SJORKVTESA-N 2 2 334.508 2.381 20 30 EEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247356767 464670630 /nfs/dbraw/zinc/67/06/30/464670630.db2.gz HATOJFPAUFZPFF-SJORKVTESA-N 2 2 334.508 2.381 20 30 EEEDLP CN(C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000267000917 464900729 /nfs/dbraw/zinc/90/07/29/464900729.db2.gz GYJQVXBOISZKEA-UHFFFAOYSA-N 2 2 340.427 2.048 20 30 EEEDLP C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267002637 464901853 /nfs/dbraw/zinc/90/18/53/464901853.db2.gz ICDAYONMHBJXNS-RHSMWYFYSA-N 2 2 346.475 2.080 20 30 EEEDLP CC(C)C[C@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267138347 464918216 /nfs/dbraw/zinc/91/82/16/464918216.db2.gz GZQMMRRNHISNFY-HNNXBMFYSA-N 2 2 348.491 2.278 20 30 EEEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891368 464923486 /nfs/dbraw/zinc/92/34/86/464923486.db2.gz MDECCXGWYHBOIF-SMDDNHRTSA-N 2 2 346.397 2.247 20 30 EEEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000358866768 465361950 /nfs/dbraw/zinc/36/19/50/465361950.db2.gz UNKCKSSKWVIODO-KZNAEPCWSA-N 2 2 348.491 2.020 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000332750120 466560727 /nfs/dbraw/zinc/56/07/27/466560727.db2.gz ZHBFBDQTINPQQZ-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000332750120 466560734 /nfs/dbraw/zinc/56/07/34/466560734.db2.gz ZHBFBDQTINPQQZ-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000332750120 466560742 /nfs/dbraw/zinc/56/07/42/466560742.db2.gz ZHBFBDQTINPQQZ-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000332750120 466560751 /nfs/dbraw/zinc/56/07/51/466560751.db2.gz ZHBFBDQTINPQQZ-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000424140592 466987959 /nfs/dbraw/zinc/98/79/59/466987959.db2.gz BKKRUTCZDBWVGR-INIZCTEOSA-N 2 2 329.448 2.099 20 30 EEEDLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c(C#N)cn1 ZINC000425232832 467089478 /nfs/dbraw/zinc/08/94/78/467089478.db2.gz FWWJJDLGNSPDTM-UHFFFAOYSA-N 2 2 327.476 2.257 20 30 EEEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)C1=O ZINC000452119564 467331421 /nfs/dbraw/zinc/33/14/21/467331421.db2.gz QKBATEUVSGVIMS-CQSZACIVSA-N 2 2 333.398 2.122 20 30 EEEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)C1=O ZINC000452119564 467331425 /nfs/dbraw/zinc/33/14/25/467331425.db2.gz QKBATEUVSGVIMS-CQSZACIVSA-N 2 2 333.398 2.122 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609260368 469909920 /nfs/dbraw/zinc/90/99/20/469909920.db2.gz KJMVLMAFWNGGKM-ZWKOTPCHSA-N 2 2 340.427 2.026 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609260368 469909921 /nfs/dbraw/zinc/90/99/21/469909921.db2.gz KJMVLMAFWNGGKM-ZWKOTPCHSA-N 2 2 340.427 2.026 20 30 EEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000657453004 471142014 /nfs/dbraw/zinc/14/20/14/471142014.db2.gz NBYSDYQSWWTMGV-GOSISDBHSA-N 2 2 325.460 2.466 20 30 EEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000657453004 471142018 /nfs/dbraw/zinc/14/20/18/471142018.db2.gz NBYSDYQSWWTMGV-GOSISDBHSA-N 2 2 325.460 2.466 20 30 EEEDLP CC(C)(C)C(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181836437 527597662 /nfs/dbraw/zinc/59/76/62/527597662.db2.gz MWFPPOFCXSYTBT-UHFFFAOYSA-N 2 2 342.487 2.275 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)cc1 ZINC000730106426 576716113 /nfs/dbraw/zinc/71/61/13/576716113.db2.gz CPMKRIUFGIDWBQ-UHFFFAOYSA-N 2 2 348.454 2.271 20 30 EEEDLP CCOCCO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000774415426 577398198 /nfs/dbraw/zinc/39/81/98/577398198.db2.gz QFOZFAUTNBYOLJ-UHFFFAOYSA-N 2 2 325.840 2.479 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000768516506 577557594 /nfs/dbraw/zinc/55/75/94/577557594.db2.gz VHBTYOFGEZFEFV-YLJYHZDGSA-N 2 2 326.488 2.475 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000768516506 577557595 /nfs/dbraw/zinc/55/75/95/577557595.db2.gz VHBTYOFGEZFEFV-YLJYHZDGSA-N 2 2 326.488 2.475 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970713205 676097778 /nfs/dbraw/zinc/09/77/78/676097778.db2.gz GVQDRELFLMFYSB-AWEZNQCLSA-N 2 2 339.911 2.297 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723736 676382025 /nfs/dbraw/zinc/38/20/25/676382025.db2.gz XPMPUZDXUPGFLY-ZBFHGGJFSA-N 2 2 336.867 2.326 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723736 676382027 /nfs/dbraw/zinc/38/20/27/676382027.db2.gz XPMPUZDXUPGFLY-ZBFHGGJFSA-N 2 2 336.867 2.326 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681167 679473261 /nfs/dbraw/zinc/47/32/61/679473261.db2.gz HRBHRBUAULSIHW-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681167 679473263 /nfs/dbraw/zinc/47/32/63/679473263.db2.gz HRBHRBUAULSIHW-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024517068 680022415 /nfs/dbraw/zinc/02/24/15/680022415.db2.gz QMBONULZAQPFCS-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024517068 680022420 /nfs/dbraw/zinc/02/24/20/680022420.db2.gz QMBONULZAQPFCS-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974742639 685385906 /nfs/dbraw/zinc/38/59/06/685385906.db2.gz MXXJJEHQJCJDMD-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974742639 685385909 /nfs/dbraw/zinc/38/59/09/685385909.db2.gz MXXJJEHQJCJDMD-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974752011 685401332 /nfs/dbraw/zinc/40/13/32/685401332.db2.gz NIFWTUTYMHDSPZ-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974752011 685401333 /nfs/dbraw/zinc/40/13/33/685401333.db2.gz NIFWTUTYMHDSPZ-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974752011 685401334 /nfs/dbraw/zinc/40/13/34/685401334.db2.gz NIFWTUTYMHDSPZ-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974752011 685401335 /nfs/dbraw/zinc/40/13/35/685401335.db2.gz NIFWTUTYMHDSPZ-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225392 682248936 /nfs/dbraw/zinc/24/89/36/682248936.db2.gz DSQJAEMMLRPDIR-SJORKVTESA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225392 682248941 /nfs/dbraw/zinc/24/89/41/682248941.db2.gz DSQJAEMMLRPDIR-SJORKVTESA-N 2 2 328.460 2.211 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]12 ZINC001026377052 684490642 /nfs/dbraw/zinc/49/06/42/684490642.db2.gz LNCGQVARKGQTIZ-KBAYOESNSA-N 2 2 338.455 2.198 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001026517454 684712662 /nfs/dbraw/zinc/71/26/62/684712662.db2.gz IIFWOYMXTITBPN-WLYUNCDWSA-N 2 2 336.867 2.215 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000987308724 689618392 /nfs/dbraw/zinc/61/83/92/689618392.db2.gz DVGJSYXNHYYVJR-GDBMZVCRSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001089889041 1192840597 /nfs/dbraw/zinc/84/05/97/1192840597.db2.gz KAKGCSYHWOFDKT-QAETUUGQSA-N 2 2 342.487 2.432 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001089889041 1192840602 /nfs/dbraw/zinc/84/06/02/1192840602.db2.gz KAKGCSYHWOFDKT-QAETUUGQSA-N 2 2 342.487 2.432 20 30 EEEDLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC001481002524 1179459995 /nfs/dbraw/zinc/45/99/95/1179459995.db2.gz LLMMVZMAAUVHCU-INIZCTEOSA-N 2 2 339.443 2.344 20 30 EEEDLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC001481002524 1179460000 /nfs/dbraw/zinc/46/00/00/1179460000.db2.gz LLMMVZMAAUVHCU-INIZCTEOSA-N 2 2 339.443 2.344 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107045004 1193002160 /nfs/dbraw/zinc/00/21/60/1193002160.db2.gz UQRMOFLIBKJYRC-QRQLOZEOSA-N 2 2 344.503 2.335 20 30 EEEDLP C=CCSCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001271201750 1186078159 /nfs/dbraw/zinc/07/81/59/1186078159.db2.gz XTZOTQMSUAWCHI-MSOLQXFVSA-N 2 2 348.516 2.354 20 30 EEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC001044816397 1194444106 /nfs/dbraw/zinc/44/41/06/1194444106.db2.gz KISOFIZIAZERCY-GJZGRUSLSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364563 1194478915 /nfs/dbraw/zinc/47/89/15/1194478915.db2.gz FYFQTANSTLDVIE-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364563 1194478918 /nfs/dbraw/zinc/47/89/18/1194478918.db2.gz FYFQTANSTLDVIE-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033364563 1194478921 /nfs/dbraw/zinc/47/89/21/1194478921.db2.gz FYFQTANSTLDVIE-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033364563 1194478922 /nfs/dbraw/zinc/47/89/22/1194478922.db2.gz FYFQTANSTLDVIE-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132823460 1200071892 /nfs/dbraw/zinc/07/18/92/1200071892.db2.gz GKKCAQDYHLDEJX-YJBOKZPZSA-N 2 2 338.455 2.354 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132923549 1200199418 /nfs/dbraw/zinc/19/94/18/1200199418.db2.gz HJLYTFBNXFVYJU-WBVHZDCISA-N 2 2 331.460 2.283 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000883131193 1202018241 /nfs/dbraw/zinc/01/82/41/1202018241.db2.gz NIVCSXRFMHKTKV-UHFFFAOYSA-N 2 2 331.851 2.274 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000883131193 1202018242 /nfs/dbraw/zinc/01/82/42/1202018242.db2.gz NIVCSXRFMHKTKV-UHFFFAOYSA-N 2 2 331.851 2.274 20 30 EEEDLP CCC(CC)[C@H](CNC(NCc1ccco1)=[NH+]C)[NH+]1CCOCC1 ZINC000103337791 1204567658 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C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212447 1247732045 /nfs/dbraw/zinc/73/20/45/1247732045.db2.gz HBNPLQHQTLIPEI-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212447 1247732051 /nfs/dbraw/zinc/73/20/51/1247732051.db2.gz HBNPLQHQTLIPEI-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212447 1247732057 /nfs/dbraw/zinc/73/20/57/1247732057.db2.gz HBNPLQHQTLIPEI-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212447 1247732062 /nfs/dbraw/zinc/73/20/62/1247732062.db2.gz HBNPLQHQTLIPEI-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054273782 1247975010 /nfs/dbraw/zinc/97/50/10/1247975010.db2.gz AKKFFLDZOATEJN-UHFFFAOYSA-N 2 2 330.391 2.213 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054273782 1247975015 /nfs/dbraw/zinc/97/50/15/1247975015.db2.gz AKKFFLDZOATEJN-UHFFFAOYSA-N 2 2 330.391 2.213 20 30 EEEDLP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001491229387 1258815857 /nfs/dbraw/zinc/81/58/57/1258815857.db2.gz FTRSVIUCDGKEHV-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001491229387 1258815862 /nfs/dbraw/zinc/81/58/62/1258815862.db2.gz FTRSVIUCDGKEHV-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001491229387 1258815868 /nfs/dbraw/zinc/81/58/68/1258815868.db2.gz FTRSVIUCDGKEHV-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001491229387 1258815876 /nfs/dbraw/zinc/81/58/76/1258815876.db2.gz FTRSVIUCDGKEHV-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC001185436089 1278629964 /nfs/dbraw/zinc/62/99/64/1278629964.db2.gz UAHAUPSKKJXHKY-WMZOPIPTSA-N 2 2 336.439 2.193 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201336350 1289518133 /nfs/dbraw/zinc/51/81/33/1289518133.db2.gz MMLJLKQZTJJYJV-JKSUJKDBSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCO1 ZINC001201382933 1289547236 /nfs/dbraw/zinc/54/72/36/1289547236.db2.gz ZJZJTTBUTIVFJJ-CVEARBPZSA-N 2 2 346.475 2.003 20 30 EEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000114478476 1293582082 /nfs/dbraw/zinc/58/20/82/1293582082.db2.gz ZHYRJWTWXSFBAV-GOEBONIOSA-N 2 2 349.438 2.107 20 30 EEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000114478476 1293582089 /nfs/dbraw/zinc/58/20/89/1293582089.db2.gz ZHYRJWTWXSFBAV-GOEBONIOSA-N 2 2 349.438 2.107 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001221657130 1298977331 /nfs/dbraw/zinc/97/73/31/1298977331.db2.gz LGBBQNVBEPQFLZ-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001221657130 1298977336 /nfs/dbraw/zinc/97/73/36/1298977336.db2.gz LGBBQNVBEPQFLZ-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001221657130 1298977337 /nfs/dbraw/zinc/97/73/37/1298977337.db2.gz LGBBQNVBEPQFLZ-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001221657130 1298977341 /nfs/dbraw/zinc/97/73/41/1298977341.db2.gz LGBBQNVBEPQFLZ-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001228879336 1302501582 /nfs/dbraw/zinc/50/15/82/1302501582.db2.gz KDOSJRVIOQTEHP-UHFFFAOYSA-N 2 2 346.450 2.120 20 30 EEEDLP N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230621379 1303330333 /nfs/dbraw/zinc/33/03/33/1303330333.db2.gz AYUCWAFYIBSSQV-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230621379 1303330342 /nfs/dbraw/zinc/33/03/42/1303330342.db2.gz AYUCWAFYIBSSQV-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C[NH+](C)C1CCC1 ZINC001235393912 1305215393 /nfs/dbraw/zinc/21/53/93/1305215393.db2.gz RNDZXJDMJDRNJN-OAHLLOKOSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C[NH+](C)C1CCC1 ZINC001235393912 1305215397 /nfs/dbraw/zinc/21/53/97/1305215397.db2.gz RNDZXJDMJDRNJN-OAHLLOKOSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)s1)C(=O)C[N@H+](C)C1CCC1 ZINC001235393912 1305215402 /nfs/dbraw/zinc/21/54/02/1305215402.db2.gz RNDZXJDMJDRNJN-OAHLLOKOSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)s1)C(=O)C[N@@H+](C)C1CCC1 ZINC001235393912 1305215407 /nfs/dbraw/zinc/21/54/07/1305215407.db2.gz RNDZXJDMJDRNJN-OAHLLOKOSA-N 2 2 346.500 2.137 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC/C=C/CCC ZINC001235453807 1305238199 /nfs/dbraw/zinc/23/81/99/1305238199.db2.gz GKBMJUJEWKLYNM-PXEQJPNCSA-N 2 2 331.504 2.363 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CCC ZINC001235453807 1305238201 /nfs/dbraw/zinc/23/82/01/1305238201.db2.gz GKBMJUJEWKLYNM-PXEQJPNCSA-N 2 2 331.504 2.363 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC/C=C/CCC ZINC001235453807 1305238205 /nfs/dbraw/zinc/23/82/05/1305238205.db2.gz GKBMJUJEWKLYNM-PXEQJPNCSA-N 2 2 331.504 2.363 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC/C=C/CCC ZINC001235453807 1305238210 /nfs/dbraw/zinc/23/82/10/1305238210.db2.gz GKBMJUJEWKLYNM-PXEQJPNCSA-N 2 2 331.504 2.363 20 30 EEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154838860 1317342316 /nfs/dbraw/zinc/34/23/16/1317342316.db2.gz ZFMIFXFTZVPICP-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154838860 1317342326 /nfs/dbraw/zinc/34/23/26/1317342326.db2.gz ZFMIFXFTZVPICP-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001154838860 1317342335 /nfs/dbraw/zinc/34/23/35/1317342335.db2.gz ZFMIFXFTZVPICP-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001154838860 1317342344 /nfs/dbraw/zinc/34/23/44/1317342344.db2.gz ZFMIFXFTZVPICP-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP CCCCCCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252140317 1317560896 /nfs/dbraw/zinc/56/08/96/1317560896.db2.gz POLDHDXNFWCHSO-KRWDZBQOSA-N 2 2 338.496 2.160 20 30 EEEDLP CCCCCCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252140317 1317560899 /nfs/dbraw/zinc/56/08/99/1317560899.db2.gz POLDHDXNFWCHSO-KRWDZBQOSA-N 2 2 338.496 2.160 20 30 EEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001157981726 1318958201 /nfs/dbraw/zinc/95/82/01/1318958201.db2.gz HXUUJBREIGYRCJ-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434353 1319235691 /nfs/dbraw/zinc/23/56/91/1319235691.db2.gz HVFSCEZZDRMXPD-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434353 1319235700 /nfs/dbraw/zinc/23/57/00/1319235700.db2.gz HVFSCEZZDRMXPD-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525098 1320185130 /nfs/dbraw/zinc/18/51/30/1320185130.db2.gz ZDQDZHYPLPAVRC-KRWDZBQOSA-N 2 2 328.460 2.160 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525098 1320185133 /nfs/dbraw/zinc/18/51/33/1320185133.db2.gz ZDQDZHYPLPAVRC-KRWDZBQOSA-N 2 2 328.460 2.160 20 30 EEEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163013160 1321013790 /nfs/dbraw/zinc/01/37/90/1321013790.db2.gz IOMGYGWVGFETPO-UHFFFAOYSA-N 2 2 326.444 2.120 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC001204119782 1322049095 /nfs/dbraw/zinc/04/90/95/1322049095.db2.gz RSYKDDAEEJXFOH-UHFFFAOYSA-N 2 2 345.487 2.192 20 30 EEEDLP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367417045 1374161081 /nfs/dbraw/zinc/16/10/81/1374161081.db2.gz BYQULABLNYZIMX-ZDUSSCGKSA-N 2 2 345.472 2.206 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318219 761617058 /nfs/dbraw/zinc/61/70/58/761617058.db2.gz SWLSCBZALWICPA-HYVNUMGLSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318219 761617063 /nfs/dbraw/zinc/61/70/63/761617063.db2.gz SWLSCBZALWICPA-HYVNUMGLSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088018722 782776510 /nfs/dbraw/zinc/77/65/10/782776510.db2.gz IPROKSRXBUCCEM-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088018722 782776516 /nfs/dbraw/zinc/77/65/16/782776516.db2.gz IPROKSRXBUCCEM-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980143840 773940328 /nfs/dbraw/zinc/94/03/28/773940328.db2.gz PARPWRBULUDRQQ-YESZJQIVSA-N 2 2 336.439 2.188 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980143840 773940331 /nfs/dbraw/zinc/94/03/31/773940331.db2.gz PARPWRBULUDRQQ-YESZJQIVSA-N 2 2 336.439 2.188 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC#Cc1ccccc1 ZINC001027971945 775449138 /nfs/dbraw/zinc/44/91/38/775449138.db2.gz OCWPOEYSDKWOOP-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC#Cc1ccccc1 ZINC001027971945 775449140 /nfs/dbraw/zinc/44/91/40/775449140.db2.gz OCWPOEYSDKWOOP-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001027971945 775449144 /nfs/dbraw/zinc/44/91/44/775449144.db2.gz OCWPOEYSDKWOOP-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001027971945 775449147 /nfs/dbraw/zinc/44/91/47/775449147.db2.gz OCWPOEYSDKWOOP-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802998 775833226 /nfs/dbraw/zinc/83/32/26/775833226.db2.gz JMWPKPUTFBBORX-YVSFHVDLSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802998 775833233 /nfs/dbraw/zinc/83/32/33/775833233.db2.gz JMWPKPUTFBBORX-YVSFHVDLSA-N 2 2 328.460 2.087 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000846994355 790805341 /nfs/dbraw/zinc/80/53/41/790805341.db2.gz QEWOSWQTONWDTA-INIZCTEOSA-N 2 2 343.475 2.049 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087519336 781650708 /nfs/dbraw/zinc/65/07/08/781650708.db2.gz JUODZXWEUYDKRY-XUVXKRRUSA-N 2 2 339.483 2.101 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC#Cc1ccccc1 ZINC001087519336 781650716 /nfs/dbraw/zinc/65/07/16/781650716.db2.gz JUODZXWEUYDKRY-XUVXKRRUSA-N 2 2 339.483 2.101 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC#Cc1ccccc1 ZINC001087519336 781650739 /nfs/dbraw/zinc/65/07/39/781650739.db2.gz JUODZXWEUYDKRY-XUVXKRRUSA-N 2 2 339.483 2.101 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001088338862 783559523 /nfs/dbraw/zinc/55/95/23/783559523.db2.gz PXPLTOGURXNSDU-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001035209389 784123185 /nfs/dbraw/zinc/12/31/85/784123185.db2.gz QYKFRUJFFGCPCA-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001035209389 784123188 /nfs/dbraw/zinc/12/31/88/784123188.db2.gz QYKFRUJFFGCPCA-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135915783 784771060 /nfs/dbraw/zinc/77/10/60/784771060.db2.gz BWNZNBNQLSVKBK-CABCVRRESA-N 2 2 327.432 2.330 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086806732 784791086 /nfs/dbraw/zinc/79/10/86/784791086.db2.gz KMQORUKEBZSPMY-GBJTYRQASA-N 2 2 336.867 2.151 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CC2 ZINC001035741542 785056074 /nfs/dbraw/zinc/05/60/74/785056074.db2.gz NHAAWELHESUTSO-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CC2 ZINC001035741542 785056080 /nfs/dbraw/zinc/05/60/80/785056080.db2.gz NHAAWELHESUTSO-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccc1OC ZINC000817919004 785072885 /nfs/dbraw/zinc/07/28/85/785072885.db2.gz OQRZZVTVBBBDRV-HYVNUMGLSA-N 2 2 347.459 2.233 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995975740 785880957 /nfs/dbraw/zinc/88/09/57/785880957.db2.gz BJBWMMHQMWJPFP-ZIAGYGMSSA-N 2 2 336.867 2.025 20 30 EEEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036304371 786177512 /nfs/dbraw/zinc/17/75/12/786177512.db2.gz PPZLPJNOIFPUFM-HOCLYGCPSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036304371 786177513 /nfs/dbraw/zinc/17/75/13/786177513.db2.gz PPZLPJNOIFPUFM-HOCLYGCPSA-N 2 2 333.501 2.119 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633894 787959909 /nfs/dbraw/zinc/95/99/09/787959909.db2.gz FTADFQMWTAQENG-NVXWUHKLSA-N 2 2 336.867 2.305 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633894 787959912 /nfs/dbraw/zinc/95/99/12/787959912.db2.gz FTADFQMWTAQENG-NVXWUHKLSA-N 2 2 336.867 2.305 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC000997378740 789872573 /nfs/dbraw/zinc/87/25/73/789872573.db2.gz JKSAYWBSOOOEEW-MRXNPFEDSA-N 2 2 336.867 2.017 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051254 791893002 /nfs/dbraw/zinc/89/30/02/791893002.db2.gz MAUHTRRJSAVCPG-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051254 791893005 /nfs/dbraw/zinc/89/30/05/791893005.db2.gz MAUHTRRJSAVCPG-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001148278519 792321758 /nfs/dbraw/zinc/32/17/58/792321758.db2.gz ZDSMJEUPRLPCGL-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001148278519 792321771 /nfs/dbraw/zinc/32/17/71/792321771.db2.gz ZDSMJEUPRLPCGL-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926827 793004301 /nfs/dbraw/zinc/00/43/01/793004301.db2.gz LJINIUTZCIJLQH-MRXNPFEDSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926827 793004310 /nfs/dbraw/zinc/00/43/10/793004310.db2.gz LJINIUTZCIJLQH-MRXNPFEDSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716631 794608869 /nfs/dbraw/zinc/60/88/69/794608869.db2.gz IYIFMHAZBWOWSK-MSOLQXFVSA-N 2 2 336.439 2.202 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716631 794608872 /nfs/dbraw/zinc/60/88/72/794608872.db2.gz IYIFMHAZBWOWSK-MSOLQXFVSA-N 2 2 336.439 2.202 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782798 794981863 /nfs/dbraw/zinc/98/18/63/794981863.db2.gz POURJAITTLMFHZ-UYAOXDASSA-N 2 2 348.450 2.432 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782798 794981868 /nfs/dbraw/zinc/98/18/68/794981868.db2.gz POURJAITTLMFHZ-UYAOXDASSA-N 2 2 348.450 2.432 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449220 795997720 /nfs/dbraw/zinc/99/77/20/795997720.db2.gz IIIJSMGPAYLTNS-SUYBPPKGSA-N 2 2 345.890 2.388 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449220 795997725 /nfs/dbraw/zinc/99/77/25/795997725.db2.gz IIIJSMGPAYLTNS-SUYBPPKGSA-N 2 2 345.890 2.388 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080449220 795997729 /nfs/dbraw/zinc/99/77/29/795997729.db2.gz IIIJSMGPAYLTNS-SUYBPPKGSA-N 2 2 345.890 2.388 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080449220 795997732 /nfs/dbraw/zinc/99/77/32/795997732.db2.gz IIIJSMGPAYLTNS-SUYBPPKGSA-N 2 2 345.890 2.388 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094452746 796262017 /nfs/dbraw/zinc/26/20/17/796262017.db2.gz BRRQPBFDVWFVKN-SQGPQFPESA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094452746 796262020 /nfs/dbraw/zinc/26/20/20/796262020.db2.gz BRRQPBFDVWFVKN-SQGPQFPESA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993339055 796426404 /nfs/dbraw/zinc/42/64/04/796426404.db2.gz QVFGDNRAHIKZIQ-NVXWUHKLSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cn3cccc(C)c3[nH+]1)C2 ZINC001095014200 797217467 /nfs/dbraw/zinc/21/74/67/797217467.db2.gz GOYCAXJNZCIDCF-BQFCYCMXSA-N 2 2 338.455 2.340 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106870046 797573529 /nfs/dbraw/zinc/57/35/29/797573529.db2.gz YQQOJIWWHNUXDB-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=C)Cl)[C@@H]2C)CC1 ZINC000994500930 798107274 /nfs/dbraw/zinc/10/72/74/798107274.db2.gz RUNXKNJIWAMBFM-WBVHZDCISA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=C)Cl)[C@@H]2C)CC1 ZINC000994500930 798107278 /nfs/dbraw/zinc/10/72/78/798107278.db2.gz RUNXKNJIWAMBFM-WBVHZDCISA-N 2 2 337.895 2.053 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450951 798330656 /nfs/dbraw/zinc/33/06/56/798330656.db2.gz GZAXAPXXALJQJC-BRWVUGGUSA-N 2 2 348.491 2.097 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450951 798330662 /nfs/dbraw/zinc/33/06/62/798330662.db2.gz GZAXAPXXALJQJC-BRWVUGGUSA-N 2 2 348.491 2.097 20 30 EEEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651937 802117211 /nfs/dbraw/zinc/11/72/11/802117211.db2.gz IZDAFENOCPBLEK-WBVHZDCISA-N 2 2 330.476 2.024 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001086111298 802195847 /nfs/dbraw/zinc/19/58/47/802195847.db2.gz CXXQKJATWKVBHK-XMTFNYHQSA-N 2 2 349.438 2.069 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001086111298 802195852 /nfs/dbraw/zinc/19/58/52/802195852.db2.gz CXXQKJATWKVBHK-XMTFNYHQSA-N 2 2 349.438 2.069 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001113348650 808789250 /nfs/dbraw/zinc/78/92/50/808789250.db2.gz XRSYKRLBTLSENW-INIZCTEOSA-N 2 2 346.475 2.383 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000356266886 238212654 /nfs/dbraw/zinc/21/26/54/238212654.db2.gz QNIDOLCTFPQRRH-UHFFFAOYSA-N 2 2 342.487 2.244 20 30 EEEDLP COc1cccc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000104154394 533574631 /nfs/dbraw/zinc/57/46/31/533574631.db2.gz SJPRPWPKENVYMX-UHFFFAOYSA-N 2 2 346.475 2.457 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246185272 160266409 /nfs/dbraw/zinc/26/64/09/160266409.db2.gz LFETYJCGKAQXSF-RDJZCZTQSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246185272 160266410 /nfs/dbraw/zinc/26/64/10/160266410.db2.gz LFETYJCGKAQXSF-RDJZCZTQSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248032298 160336362 /nfs/dbraw/zinc/33/63/62/160336362.db2.gz QSBSHAXOUFNULJ-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248032298 160336363 /nfs/dbraw/zinc/33/63/63/160336363.db2.gz QSBSHAXOUFNULJ-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248032298 160336364 /nfs/dbraw/zinc/33/63/64/160336364.db2.gz QSBSHAXOUFNULJ-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248032298 160336365 /nfs/dbraw/zinc/33/63/65/160336365.db2.gz QSBSHAXOUFNULJ-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000340175273 160905755 /nfs/dbraw/zinc/90/57/55/160905755.db2.gz DFRISSTYGPNDIZ-ZHALLVOQSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000340175273 160905756 /nfs/dbraw/zinc/90/57/56/160905756.db2.gz DFRISSTYGPNDIZ-ZHALLVOQSA-N 2 2 329.444 2.250 20 30 EEEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000104166564 293017555 /nfs/dbraw/zinc/01/75/55/293017555.db2.gz NOBBYQDUGMEECH-BBRMVZONSA-N 2 2 338.883 2.416 20 30 EEEDLP [O-]C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328618588 465074197 /nfs/dbraw/zinc/07/41/97/465074197.db2.gz VFOJNUGFSRFUJU-WBVHZDCISA-N 2 2 345.491 2.499 20 30 EEEDLP [O-]C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328618588 465074201 /nfs/dbraw/zinc/07/42/01/465074201.db2.gz VFOJNUGFSRFUJU-WBVHZDCISA-N 2 2 345.491 2.499 20 30 EEEDLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328618588 465074206 /nfs/dbraw/zinc/07/42/06/465074206.db2.gz VFOJNUGFSRFUJU-WBVHZDCISA-N 2 2 345.491 2.499 20 30 EEEDLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328618588 465074208 /nfs/dbraw/zinc/07/42/08/465074208.db2.gz VFOJNUGFSRFUJU-WBVHZDCISA-N 2 2 345.491 2.499 20 30 EEEDLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC(=O)NC1CC1 ZINC000328660969 465092309 /nfs/dbraw/zinc/09/23/09/465092309.db2.gz WIDVFGZFFVLHLT-ZDUSSCGKSA-N 2 2 345.447 2.432 20 30 EEEDLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC(=O)NC1CC1 ZINC000328660969 465092315 /nfs/dbraw/zinc/09/23/15/465092315.db2.gz WIDVFGZFFVLHLT-ZDUSSCGKSA-N 2 2 345.447 2.432 20 30 EEEDLP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000328780987 465126949 /nfs/dbraw/zinc/12/69/49/465126949.db2.gz FMTXVJBXMCNIME-DLBZAZTESA-N 2 2 345.491 2.338 20 30 EEEDLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000283154879 463783684 /nfs/dbraw/zinc/78/36/84/463783684.db2.gz XTXVFJMEVXBZOU-QGZVFWFLSA-N 2 2 329.444 2.111 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000358783703 465319662 /nfs/dbraw/zinc/31/96/62/465319662.db2.gz CNGVIKGIMZOGQV-UHFFFAOYSA-N 2 2 327.432 2.092 20 30 EEEDLP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000330336158 465619271 /nfs/dbraw/zinc/61/92/71/465619271.db2.gz SELPXYJDEXDNOE-RHSMWYFYSA-N 2 2 349.479 2.018 20 30 EEEDLP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000330336158 465619274 /nfs/dbraw/zinc/61/92/74/465619274.db2.gz SELPXYJDEXDNOE-RHSMWYFYSA-N 2 2 349.479 2.018 20 30 EEEDLP C=CCC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000367616980 466451895 /nfs/dbraw/zinc/45/18/95/466451895.db2.gz MTXBCEBHOGBWNS-ROUUACIJSA-N 2 2 333.476 2.283 20 30 EEEDLP N#CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000493212533 467863202 /nfs/dbraw/zinc/86/32/02/467863202.db2.gz ANJWKJMKTUZDQJ-VOTSOKGWSA-N 2 2 335.411 2.097 20 30 EEEDLP Cc1nc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687938 468176557 /nfs/dbraw/zinc/17/65/57/468176557.db2.gz YFLWEFMRLAFMJU-CQSZACIVSA-N 2 2 333.867 2.496 20 30 EEEDLP Cc1nc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687938 468176558 /nfs/dbraw/zinc/17/65/58/468176558.db2.gz YFLWEFMRLAFMJU-CQSZACIVSA-N 2 2 333.867 2.496 20 30 EEEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000570825489 468699906 /nfs/dbraw/zinc/69/99/06/468699906.db2.gz UMQBUQLSIJTIIO-HNNXBMFYSA-N 2 2 339.443 2.050 20 30 EEEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000570825489 468699909 /nfs/dbraw/zinc/69/99/09/468699909.db2.gz UMQBUQLSIJTIIO-HNNXBMFYSA-N 2 2 339.443 2.050 20 30 EEEDLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000583988773 468782063 /nfs/dbraw/zinc/78/20/63/468782063.db2.gz GBWVZGKVMVVRRT-SFHVURJKSA-N 2 2 337.427 2.226 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663567237 471430093 /nfs/dbraw/zinc/43/00/93/471430093.db2.gz BWCYOFYUXWLHKM-UHFFFAOYSA-N 2 2 345.491 2.280 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663567237 471430096 /nfs/dbraw/zinc/43/00/96/471430096.db2.gz BWCYOFYUXWLHKM-UHFFFAOYSA-N 2 2 345.491 2.280 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccncc3Cl)cc2)CC1 ZINC000771557651 577217762 /nfs/dbraw/zinc/21/77/62/577217762.db2.gz JDDUTTXYQBMNOD-UHFFFAOYSA-N 2 2 329.835 2.355 20 30 EEEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733329721 577223054 /nfs/dbraw/zinc/22/30/54/577223054.db2.gz XWGAKCGCYSKXSN-LJQANCHMSA-N 2 2 328.456 2.432 20 30 EEEDLP CC(=[NH+]NC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cccc(N2CCOCC2)c1 ZINC000753936426 577796794 /nfs/dbraw/zinc/79/67/94/577796794.db2.gz SJHDIMSODOTBCX-QZTJIDSGSA-N 2 2 341.459 2.107 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000754633116 577809844 /nfs/dbraw/zinc/80/98/44/577809844.db2.gz RCXAGSNZIVBPJM-INIZCTEOSA-N 2 2 339.439 2.169 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571120 675169024 /nfs/dbraw/zinc/16/90/24/675169024.db2.gz BHWIQYKRUAQHOB-BRWVUGGUSA-N 2 2 349.438 2.138 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970022276 675395292 /nfs/dbraw/zinc/39/52/92/675395292.db2.gz YTUJYNVNVPJIPH-ZBFHGGJFSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970022276 675395294 /nfs/dbraw/zinc/39/52/94/675395294.db2.gz YTUJYNVNVPJIPH-ZBFHGGJFSA-N 2 2 327.900 2.296 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001021638398 676293977 /nfs/dbraw/zinc/29/39/77/676293977.db2.gz DSRGNSMAPGURHC-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3nccn4c[nH+]cc34)CC2)cc1 ZINC000891620485 676729510 /nfs/dbraw/zinc/72/95/10/676729510.db2.gz AYVHMNRTJMBZDO-UHFFFAOYSA-N 2 2 332.411 2.313 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(c3nccn4c[nH+]cc34)CC2)cc1 ZINC000891620485 676729512 /nfs/dbraw/zinc/72/95/12/676729512.db2.gz AYVHMNRTJMBZDO-UHFFFAOYSA-N 2 2 332.411 2.313 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001026896654 685279053 /nfs/dbraw/zinc/27/90/53/685279053.db2.gz CXMQXRLFOBLPHD-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001026896654 685279058 /nfs/dbraw/zinc/27/90/58/685279058.db2.gz CXMQXRLFOBLPHD-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000894639684 683009185 /nfs/dbraw/zinc/00/91/85/683009185.db2.gz RERYCPCPZXOWSH-UHFFFAOYSA-N 2 2 328.382 2.211 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000894639684 683009187 /nfs/dbraw/zinc/00/91/87/683009187.db2.gz RERYCPCPZXOWSH-UHFFFAOYSA-N 2 2 328.382 2.211 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867405 685642692 /nfs/dbraw/zinc/64/26/92/685642692.db2.gz FLXVATDKVGJQSS-JKSUJKDBSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867405 685642695 /nfs/dbraw/zinc/64/26/95/685642695.db2.gz FLXVATDKVGJQSS-JKSUJKDBSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000992852544 683596498 /nfs/dbraw/zinc/59/64/98/683596498.db2.gz IHLRDDZVHCLUQU-OWCLPIDISA-N 2 2 330.476 2.480 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC1(C)C ZINC000974687099 685225854 /nfs/dbraw/zinc/22/58/54/685225854.db2.gz QLBSCBYGVJODGB-ROUUACIJSA-N 2 2 345.531 2.347 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC2CC(C)(C)C2)CC1(C)C ZINC000974687099 685225858 /nfs/dbraw/zinc/22/58/58/685225858.db2.gz QLBSCBYGVJODGB-ROUUACIJSA-N 2 2 345.531 2.347 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC2CC(C)(C)C2)CC1(C)C ZINC000974687099 685225862 /nfs/dbraw/zinc/22/58/62/685225862.db2.gz QLBSCBYGVJODGB-ROUUACIJSA-N 2 2 345.531 2.347 20 30 EEEDLP 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2 336.867 2.484 20 30 EEEDLP C=CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C[NH+](C)C)on3)cc2C1 ZINC001054271027 1247963245 /nfs/dbraw/zinc/96/32/45/1247963245.db2.gz FOCOUCCTJMVDCP-UHFFFAOYSA-N 2 2 340.427 2.168 20 30 EEEDLP C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C[NH+](C)C)on3)cc2C1 ZINC001054271027 1247963253 /nfs/dbraw/zinc/96/32/53/1247963253.db2.gz FOCOUCCTJMVDCP-UHFFFAOYSA-N 2 2 340.427 2.168 20 30 EEEDLP C=CC[NH+]1CCN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001188309172 1279849696 /nfs/dbraw/zinc/84/96/96/1279849696.db2.gz YWLZWMPYZKHRNB-UHFFFAOYSA-N 2 2 327.472 2.440 20 30 EEEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818094 1281090882 /nfs/dbraw/zinc/09/08/82/1281090882.db2.gz OBTPGNDOPLUPDE-QZTJIDSGSA-N 2 2 348.491 2.206 20 30 EEEDLP CC[C@H](CC#N)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198035738 1284951764 /nfs/dbraw/zinc/95/17/64/1284951764.db2.gz BWHOXHRPQHPXOL-GOSISDBHSA-N 2 2 330.476 2.492 20 30 EEEDLP CC[C@H](CC#N)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198035738 1284951771 /nfs/dbraw/zinc/95/17/71/1284951771.db2.gz BWHOXHRPQHPXOL-GOSISDBHSA-N 2 2 330.476 2.492 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1C ZINC001071957249 1295036133 /nfs/dbraw/zinc/03/61/33/1295036133.db2.gz FWPMXETXLCLEKZ-HZPDHXFCSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1C ZINC001071957249 1295036136 /nfs/dbraw/zinc/03/61/36/1295036136.db2.gz FWPMXETXLCLEKZ-HZPDHXFCSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001073764459 1297509195 /nfs/dbraw/zinc/50/91/95/1297509195.db2.gz HGHVGRSHKLKDIT-HOTGVXAUSA-N 2 2 346.475 2.003 20 30 EEEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001073764459 1297509202 /nfs/dbraw/zinc/50/92/02/1297509202.db2.gz HGHVGRSHKLKDIT-HOTGVXAUSA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001229657382 1302908041 /nfs/dbraw/zinc/90/80/41/1302908041.db2.gz APOHGWIEZIKZHF-IAGOWNOFSA-N 2 2 339.443 2.474 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425671 1302945534 /nfs/dbraw/zinc/94/55/34/1302945534.db2.gz JWAYAKOIQACRSX-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425671 1302945537 /nfs/dbraw/zinc/94/55/37/1302945537.db2.gz JWAYAKOIQACRSX-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+](CC)CC ZINC001230598669 1303307794 /nfs/dbraw/zinc/30/77/94/1303307794.db2.gz WPZUODQIKSYBFV-QZTJIDSGSA-N 2 2 334.508 2.333 20 30 EEEDLP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+](CC)CC ZINC001230598669 1303307799 /nfs/dbraw/zinc/30/77/99/1303307799.db2.gz WPZUODQIKSYBFV-QZTJIDSGSA-N 2 2 334.508 2.333 20 30 EEEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001112423686 1304541442 /nfs/dbraw/zinc/54/14/42/1304541442.db2.gz DOFRBZRIYDIUBV-PXNSSMCTSA-N 2 2 342.487 2.168 20 30 EEEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115603165 1305485432 /nfs/dbraw/zinc/48/54/32/1305485432.db2.gz MBCKSAKNPURWRB-MRXNPFEDSA-N 2 2 330.476 2.430 20 30 EEEDLP N#Cc1c2c(cnc1-c1ccccc1C[NH+]1CCOCC1)C[NH2+]CCC2 ZINC001241980088 1309589129 /nfs/dbraw/zinc/58/91/29/1309589129.db2.gz HKTFPTQQBJFZHT-UHFFFAOYSA-N 2 2 348.450 2.488 20 30 EEEDLP COC(=O)[C@@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC001246934746 1310470986 /nfs/dbraw/zinc/47/09/86/1310470986.db2.gz WDXVMERXSHGBAU-OPQOLIRYSA-N 2 2 327.428 2.017 20 30 EEEDLP COC(=O)[C@@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC001246934746 1310471002 /nfs/dbraw/zinc/47/10/02/1310471002.db2.gz WDXVMERXSHGBAU-OPQOLIRYSA-N 2 2 327.428 2.017 20 30 EEEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149869056 1316072689 /nfs/dbraw/zinc/07/26/89/1316072689.db2.gz PYFIKLUFXUWTJY-ROUUACIJSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149869056 1316072692 /nfs/dbraw/zinc/07/26/92/1316072692.db2.gz PYFIKLUFXUWTJY-ROUUACIJSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154013131 1316936423 /nfs/dbraw/zinc/93/64/23/1316936423.db2.gz XYPKHRKCQOJQCW-CHWSQXEVSA-N 2 2 334.302 2.062 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154013131 1316936425 /nfs/dbraw/zinc/93/64/25/1316936425.db2.gz XYPKHRKCQOJQCW-CHWSQXEVSA-N 2 2 334.302 2.062 20 30 EEEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001253188505 1317791734 /nfs/dbraw/zinc/79/17/34/1317791734.db2.gz ZXMPGCXVTDGCHF-MJGOQNOKSA-N 2 2 331.460 2.104 20 30 EEEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001253188505 1317791742 /nfs/dbraw/zinc/79/17/42/1317791742.db2.gz ZXMPGCXVTDGCHF-MJGOQNOKSA-N 2 2 331.460 2.104 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001253397768 1317841213 /nfs/dbraw/zinc/84/12/13/1317841213.db2.gz RERTXTUAMMQYME-SJLPKXTDSA-N 2 2 331.460 2.150 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001253397768 1317841218 /nfs/dbraw/zinc/84/12/18/1317841218.db2.gz RERTXTUAMMQYME-SJLPKXTDSA-N 2 2 331.460 2.150 20 30 EEEDLP Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(C#N)c(C)c1Cl ZINC001158260250 1319120497 /nfs/dbraw/zinc/12/04/97/1319120497.db2.gz ZJLJCEAFOAIOJB-ZDUSSCGKSA-N 2 2 333.867 2.225 20 30 EEEDLP Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(C#N)c(C)c1Cl ZINC001158260250 1319120502 /nfs/dbraw/zinc/12/05/02/1319120502.db2.gz ZJLJCEAFOAIOJB-ZDUSSCGKSA-N 2 2 333.867 2.225 20 30 EEEDLP COC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001258350903 1319236823 /nfs/dbraw/zinc/23/68/23/1319236823.db2.gz FLINSJQNEDNMEM-HNNXBMFYSA-N 2 2 329.444 2.454 20 30 EEEDLP C#CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491607 1320175306 /nfs/dbraw/zinc/17/53/06/1320175306.db2.gz HERPERDBCLLHPX-UHFFFAOYSA-N 2 2 328.460 2.088 20 30 EEEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491607 1320175308 /nfs/dbraw/zinc/17/53/08/1320175308.db2.gz HERPERDBCLLHPX-UHFFFAOYSA-N 2 2 328.460 2.088 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)(COC)CC1 ZINC001162236029 1320792065 /nfs/dbraw/zinc/79/20/65/1320792065.db2.gz MJWLNLWZGYIHFI-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4C#N)C[C@@H]3C2)cn1 ZINC001204367451 1322130477 /nfs/dbraw/zinc/13/04/77/1322130477.db2.gz KGUINRUGHHRYBP-UXHICEINSA-N 2 2 335.455 2.246 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4C#N)C[C@@H]3C2)cn1 ZINC001204367451 1322130487 /nfs/dbraw/zinc/13/04/87/1322130487.db2.gz KGUINRUGHHRYBP-UXHICEINSA-N 2 2 335.455 2.246 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4C#N)C[C@@H]3C2)cn1 ZINC001204367451 1322130492 /nfs/dbraw/zinc/13/04/92/1322130492.db2.gz KGUINRUGHHRYBP-UXHICEINSA-N 2 2 335.455 2.246 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4C#N)C[C@@H]3C2)cn1 ZINC001204367451 1322130498 /nfs/dbraw/zinc/13/04/98/1322130498.db2.gz KGUINRUGHHRYBP-UXHICEINSA-N 2 2 335.455 2.246 20 30 EEEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001263301819 1322456169 /nfs/dbraw/zinc/45/61/69/1322456169.db2.gz YXQVYPLAGTUIBI-HZPDHXFCSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001263301819 1322456172 /nfs/dbraw/zinc/45/61/72/1322456172.db2.gz YXQVYPLAGTUIBI-HZPDHXFCSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001263301819 1322456173 /nfs/dbraw/zinc/45/61/73/1322456173.db2.gz YXQVYPLAGTUIBI-HZPDHXFCSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001263301819 1322456175 /nfs/dbraw/zinc/45/61/75/1322456175.db2.gz YXQVYPLAGTUIBI-HZPDHXFCSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205536812 1323182700 /nfs/dbraw/zinc/18/27/00/1323182700.db2.gz DBSKGULZJIRRFT-KRWDZBQOSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001206731848 1323576284 /nfs/dbraw/zinc/57/62/84/1323576284.db2.gz RKZXLTSMYKRVMI-UHFFFAOYSA-N 2 2 349.519 2.036 20 30 EEEDLP C#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001276558818 1324335356 /nfs/dbraw/zinc/33/53/56/1324335356.db2.gz XORVQOFNEKQQIB-NRFANRHFSA-N 2 2 348.450 2.132 20 30 EEEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001276558818 1324335358 /nfs/dbraw/zinc/33/53/58/1324335358.db2.gz XORVQOFNEKQQIB-NRFANRHFSA-N 2 2 348.450 2.132 20 30 EEEDLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001208361855 1324451880 /nfs/dbraw/zinc/45/18/80/1324451880.db2.gz JEPBMVFHFMGNRW-GUDVDZBRSA-N 2 2 348.450 2.146 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001209213684 1324856655 /nfs/dbraw/zinc/85/66/55/1324856655.db2.gz UPCMDHUOUUDZSW-MJGOQNOKSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001209213684 1324856657 /nfs/dbraw/zinc/85/66/57/1324856657.db2.gz UPCMDHUOUUDZSW-MJGOQNOKSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938107 1371328503 /nfs/dbraw/zinc/32/85/03/1371328503.db2.gz LNMPNDYWKYHLKR-BXWFABGCSA-N 2 2 330.476 2.288 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938107 1371328506 /nfs/dbraw/zinc/32/85/06/1371328506.db2.gz LNMPNDYWKYHLKR-BXWFABGCSA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001112410828 1371433802 /nfs/dbraw/zinc/43/38/02/1371433802.db2.gz RDSASHSJNZEQPP-BORJPKMPSA-N 2 2 348.878 2.484 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001112410828 1371433805 /nfs/dbraw/zinc/43/38/05/1371433805.db2.gz RDSASHSJNZEQPP-BORJPKMPSA-N 2 2 348.878 2.484 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001393791191 1390544032 /nfs/dbraw/zinc/54/40/32/1390544032.db2.gz YBTJJLVJBHVESF-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001393791191 1390544036 /nfs/dbraw/zinc/54/40/36/1390544036.db2.gz YBTJJLVJBHVESF-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001393791191 1390544038 /nfs/dbraw/zinc/54/40/38/1390544038.db2.gz YBTJJLVJBHVESF-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001393791191 1390544041 /nfs/dbraw/zinc/54/40/41/1390544041.db2.gz YBTJJLVJBHVESF-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001403206642 1398483383 /nfs/dbraw/zinc/48/33/83/1398483383.db2.gz YRAUYOKMXKDAKZ-ZDUSSCGKSA-N 2 2 333.823 2.070 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001403206642 1398483390 /nfs/dbraw/zinc/48/33/90/1398483390.db2.gz YRAUYOKMXKDAKZ-ZDUSSCGKSA-N 2 2 333.823 2.070 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001424137144 1400925805 /nfs/dbraw/zinc/92/58/05/1400925805.db2.gz MOXVPOLDRLOFEW-CYBMUJFWSA-N 2 2 340.855 2.073 20 30 EEEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001755162777 1407172670 /nfs/dbraw/zinc/17/26/70/1407172670.db2.gz ZEGSQZOYGQABCC-ZBFHGGJFSA-N 2 2 342.443 2.348 20 30 EEEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001755162777 1407172674 /nfs/dbraw/zinc/17/26/74/1407172674.db2.gz ZEGSQZOYGQABCC-ZBFHGGJFSA-N 2 2 342.443 2.348 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075459836 760877729 /nfs/dbraw/zinc/87/77/29/760877729.db2.gz CGXMBVDTJKNCCU-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075459836 760877744 /nfs/dbraw/zinc/87/77/44/760877744.db2.gz CGXMBVDTJKNCCU-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089420851 768955916 /nfs/dbraw/zinc/95/59/16/768955916.db2.gz QAYXIOXUYQFPQW-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089420851 768955919 /nfs/dbraw/zinc/95/59/19/768955919.db2.gz QAYXIOXUYQFPQW-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981169010 776661035 /nfs/dbraw/zinc/66/10/35/776661035.db2.gz XVWDOFNIPVJFOW-GJZGRUSLSA-N 2 2 337.851 2.402 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089825262 777110969 /nfs/dbraw/zinc/11/09/69/777110969.db2.gz ASVLHIKBVPURQZ-FORWCCJISA-N 2 2 348.450 2.369 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089825262 777110972 /nfs/dbraw/zinc/11/09/72/777110972.db2.gz ASVLHIKBVPURQZ-FORWCCJISA-N 2 2 348.450 2.369 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997646633 790530591 /nfs/dbraw/zinc/53/05/91/790530591.db2.gz PUNMZRCWPOWGOD-DOTOQJQBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851058 778380180 /nfs/dbraw/zinc/38/01/80/778380180.db2.gz BTVPENKELBKYMR-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851058 778380189 /nfs/dbraw/zinc/38/01/89/778380189.db2.gz BTVPENKELBKYMR-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP COC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002128 781586833 /nfs/dbraw/zinc/58/68/33/781586833.db2.gz NAAVCAOHKOSWHK-SJPCQFCGSA-N 2 2 331.460 2.171 20 30 EEEDLP COC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002128 781586836 /nfs/dbraw/zinc/58/68/36/781586836.db2.gz NAAVCAOHKOSWHK-SJPCQFCGSA-N 2 2 331.460 2.171 20 30 EEEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297032 789588394 /nfs/dbraw/zinc/58/83/94/789588394.db2.gz FYPBHZNILOAETI-GDBMZVCRSA-N 2 2 328.460 2.070 20 30 EEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001171200847 789970035 /nfs/dbraw/zinc/97/00/35/789970035.db2.gz CJUIOUNWZVNVIM-JQFCIGGWSA-N 2 2 344.459 2.025 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050371 791885395 /nfs/dbraw/zinc/88/53/95/791885395.db2.gz HCUPWECBYCHCAT-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050371 791885402 /nfs/dbraw/zinc/88/54/02/791885402.db2.gz HCUPWECBYCHCAT-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001086929247 793056028 /nfs/dbraw/zinc/05/60/28/793056028.db2.gz BCNAHCLNASOOGT-IAGOWNOFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092198895 793662727 /nfs/dbraw/zinc/66/27/27/793662727.db2.gz AHSFGUPICMGPAQ-DYVFJYSZSA-N 2 2 336.867 2.220 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092198895 793662730 /nfs/dbraw/zinc/66/27/30/793662730.db2.gz AHSFGUPICMGPAQ-DYVFJYSZSA-N 2 2 336.867 2.220 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1C ZINC001079878156 795312249 /nfs/dbraw/zinc/31/22/49/795312249.db2.gz JAIDCMNXMQAFRX-OLMNPRSZSA-N 2 2 345.512 2.091 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C ZINC001079878156 795312254 /nfs/dbraw/zinc/31/22/54/795312254.db2.gz JAIDCMNXMQAFRX-OLMNPRSZSA-N 2 2 345.512 2.091 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2csc(C)c2)C[C@H]1C ZINC001079878156 795312256 /nfs/dbraw/zinc/31/22/56/795312256.db2.gz JAIDCMNXMQAFRX-OLMNPRSZSA-N 2 2 345.512 2.091 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2csc(C)c2)C[C@H]1C ZINC001079878156 795312263 /nfs/dbraw/zinc/31/22/63/795312263.db2.gz JAIDCMNXMQAFRX-OLMNPRSZSA-N 2 2 345.512 2.091 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106343168 795423900 /nfs/dbraw/zinc/42/39/00/795423900.db2.gz SFEFCOKKYUBZOK-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106343168 795423906 /nfs/dbraw/zinc/42/39/06/795423906.db2.gz SFEFCOKKYUBZOK-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001106763653 796479243 /nfs/dbraw/zinc/47/92/43/796479243.db2.gz NVUPHTWUDBURBB-IAGOWNOFSA-N 2 2 340.471 2.445 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422401 798186590 /nfs/dbraw/zinc/18/65/90/798186590.db2.gz XPDPFJRBEMUARR-OWCLPIDISA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422401 798186595 /nfs/dbraw/zinc/18/65/95/798186595.db2.gz XPDPFJRBEMUARR-OWCLPIDISA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422401 798186601 /nfs/dbraw/zinc/18/66/01/798186601.db2.gz XPDPFJRBEMUARR-OWCLPIDISA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422401 798186606 /nfs/dbraw/zinc/18/66/06/798186606.db2.gz XPDPFJRBEMUARR-OWCLPIDISA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]21 ZINC001177055449 798718972 /nfs/dbraw/zinc/71/89/72/798718972.db2.gz MQRIXRBJCYOWHA-QZTJIDSGSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]21 ZINC001177055449 798718973 /nfs/dbraw/zinc/71/89/73/798718973.db2.gz MQRIXRBJCYOWHA-QZTJIDSGSA-N 2 2 349.519 2.129 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001032837118 799441037 /nfs/dbraw/zinc/44/10/37/799441037.db2.gz BJWDUDWEUQCCKS-AABGKKOBSA-N 2 2 339.483 2.426 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001032837118 799441040 /nfs/dbraw/zinc/44/10/40/799441040.db2.gz BJWDUDWEUQCCKS-AABGKKOBSA-N 2 2 339.483 2.426 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001032837118 799441045 /nfs/dbraw/zinc/44/10/45/799441045.db2.gz BJWDUDWEUQCCKS-AABGKKOBSA-N 2 2 339.483 2.426 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001032837118 799441048 /nfs/dbraw/zinc/44/10/48/799441048.db2.gz BJWDUDWEUQCCKS-AABGKKOBSA-N 2 2 339.483 2.426 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001178536138 799513168 /nfs/dbraw/zinc/51/31/68/799513168.db2.gz QHMQZDPKCNIYMS-GOSISDBHSA-N 2 2 345.491 2.080 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001178536138 799513173 /nfs/dbraw/zinc/51/31/73/799513173.db2.gz QHMQZDPKCNIYMS-GOSISDBHSA-N 2 2 345.491 2.080 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001181951719 800973212 /nfs/dbraw/zinc/97/32/12/800973212.db2.gz GAHBTIJBJDGHSG-FRIZHTMISA-N 2 2 330.476 2.083 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001181951719 800973218 /nfs/dbraw/zinc/97/32/18/800973218.db2.gz GAHBTIJBJDGHSG-FRIZHTMISA-N 2 2 330.476 2.083 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782138 801244522 /nfs/dbraw/zinc/24/45/22/801244522.db2.gz OCABVUKOAOVDSA-MOPGFXCFSA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782138 801244530 /nfs/dbraw/zinc/24/45/30/801244530.db2.gz OCABVUKOAOVDSA-MOPGFXCFSA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782138 801244537 /nfs/dbraw/zinc/24/45/37/801244537.db2.gz OCABVUKOAOVDSA-MOPGFXCFSA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782138 801244542 /nfs/dbraw/zinc/24/45/42/801244542.db2.gz OCABVUKOAOVDSA-MOPGFXCFSA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497411 802228017 /nfs/dbraw/zinc/22/80/17/802228017.db2.gz IPRSCQGYHBHGMM-GOSISDBHSA-N 2 2 342.487 2.079 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497411 802228020 /nfs/dbraw/zinc/22/80/20/802228020.db2.gz IPRSCQGYHBHGMM-GOSISDBHSA-N 2 2 342.487 2.079 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001494847210 1104446493 /nfs/dbraw/zinc/44/64/93/1104446493.db2.gz MHYZJTNUJMVYQH-RBUKOAKNSA-N 2 2 342.487 2.177 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001494847210 1104446494 /nfs/dbraw/zinc/44/64/94/1104446494.db2.gz MHYZJTNUJMVYQH-RBUKOAKNSA-N 2 2 342.487 2.177 20 30 EEEDLP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226780 1112688806 /nfs/dbraw/zinc/68/88/06/1112688806.db2.gz DTPXNUPDRHRRDX-HXUWFJFHSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226780 1112688809 /nfs/dbraw/zinc/68/88/09/1112688809.db2.gz DTPXNUPDRHRRDX-HXUWFJFHSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226780 1112688811 /nfs/dbraw/zinc/68/88/11/1112688811.db2.gz DTPXNUPDRHRRDX-HXUWFJFHSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226780 1112688812 /nfs/dbraw/zinc/68/88/12/1112688812.db2.gz DTPXNUPDRHRRDX-HXUWFJFHSA-N 2 2 340.471 2.123 20 30 EEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000105896641 529761503 /nfs/dbraw/zinc/76/15/03/529761503.db2.gz BUFKRDBMNPVRBT-YJBOKZPZSA-N 2 2 331.464 2.137 20 30 EEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000105896641 529761504 /nfs/dbraw/zinc/76/15/04/529761504.db2.gz BUFKRDBMNPVRBT-YJBOKZPZSA-N 2 2 331.464 2.137 20 30 EEEDLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329288132 539770550 /nfs/dbraw/zinc/77/05/50/539770550.db2.gz HQXIVPSPNWOOGW-INIZCTEOSA-N 2 2 343.475 2.312 20 30 EEEDLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329288132 539770555 /nfs/dbraw/zinc/77/05/55/539770555.db2.gz HQXIVPSPNWOOGW-INIZCTEOSA-N 2 2 343.475 2.312 20 30 EEEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1C ZINC000104160695 237084484 /nfs/dbraw/zinc/08/44/84/237084484.db2.gz GQFALBVEOAMZGB-SFHVURJKSA-N 2 2 331.508 2.302 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491826623 246169140 /nfs/dbraw/zinc/16/91/40/246169140.db2.gz AWEAWCRCGGHNRB-HJWRWDBZSA-N 2 2 340.471 2.056 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491826623 246169144 /nfs/dbraw/zinc/16/91/44/246169144.db2.gz AWEAWCRCGGHNRB-HJWRWDBZSA-N 2 2 340.471 2.056 20 30 EEEDLP Cc1[nH+]cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n1C ZINC000515433900 268081579 /nfs/dbraw/zinc/08/15/79/268081579.db2.gz BWDWSTBEOMULBT-UHFFFAOYSA-N 2 2 325.416 2.475 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684605 269008815 /nfs/dbraw/zinc/00/88/15/269008815.db2.gz WAHSFSHHHLHWDC-VQIMIIECSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684605 269008816 /nfs/dbraw/zinc/00/88/16/269008816.db2.gz WAHSFSHHHLHWDC-VQIMIIECSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684605 269008817 /nfs/dbraw/zinc/00/88/17/269008817.db2.gz WAHSFSHHHLHWDC-VQIMIIECSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684605 269008818 /nfs/dbraw/zinc/00/88/18/269008818.db2.gz WAHSFSHHHLHWDC-VQIMIIECSA-N 2 2 335.455 2.485 20 30 EEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134113543 274276275 /nfs/dbraw/zinc/27/62/75/274276275.db2.gz HECANZFRWPTOQX-HNNXBMFYSA-N 2 2 336.443 2.297 20 30 EEEDLP CN(c1ncc(C#N)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363178974 277004390 /nfs/dbraw/zinc/00/43/90/277004390.db2.gz BFYPNIIGUDSNQJ-HNNXBMFYSA-N 2 2 333.867 2.211 20 30 EEEDLP CN(c1ncc(C#N)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363178974 277004391 /nfs/dbraw/zinc/00/43/91/277004391.db2.gz BFYPNIIGUDSNQJ-HNNXBMFYSA-N 2 2 333.867 2.211 20 30 EEEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCOCCC#N)[C@@H]1c1cnn(C)c1 ZINC000339103520 465083984 /nfs/dbraw/zinc/08/39/84/465083984.db2.gz SULYLPZQQFQTCF-FUHWJXTLSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCOCCC#N)[C@@H]1c1cnn(C)c1 ZINC000339103520 465083992 /nfs/dbraw/zinc/08/39/92/465083992.db2.gz SULYLPZQQFQTCF-FUHWJXTLSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCOCCC#N)[C@@H]1c1cnn(C)c1 ZINC000339103520 465083996 /nfs/dbraw/zinc/08/39/96/465083996.db2.gz SULYLPZQQFQTCF-FUHWJXTLSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCOCCC#N)[C@@H]1c1cnn(C)c1 ZINC000339103520 465084002 /nfs/dbraw/zinc/08/40/02/465084002.db2.gz SULYLPZQQFQTCF-FUHWJXTLSA-N 2 2 333.480 2.055 20 30 EEEDLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328969267 465187496 /nfs/dbraw/zinc/18/74/96/465187496.db2.gz UKVLCXFBGWWOIN-QGTPRVQTSA-N 2 2 346.475 2.170 20 30 EEEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329294552 465291029 /nfs/dbraw/zinc/29/10/29/465291029.db2.gz SCXHXUFWNORQRP-OAGGEKHMSA-N 2 2 331.464 2.233 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000076003697 462783981 /nfs/dbraw/zinc/78/39/81/462783981.db2.gz HATOJFPAUFZPFF-DLBZAZTESA-N 2 2 334.508 2.381 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000076003697 462783983 /nfs/dbraw/zinc/78/39/83/462783983.db2.gz HATOJFPAUFZPFF-DLBZAZTESA-N 2 2 334.508 2.381 20 30 EEEDLP COCCNC(=[NH2+])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000066243013 462866453 /nfs/dbraw/zinc/86/64/53/462866453.db2.gz GHLLIAGWJHEFMX-AWEZNQCLSA-N 2 2 342.846 2.167 20 30 EEEDLP CSCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000174142744 464367486 /nfs/dbraw/zinc/36/74/86/464367486.db2.gz PAHZNWWSSVWRPJ-UHFFFAOYSA-N 2 2 337.489 2.033 20 30 EEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000273501084 464718327 /nfs/dbraw/zinc/71/83/27/464718327.db2.gz QEZYBEFBSSPHCW-IAGOWNOFSA-N 2 2 345.491 2.226 20 30 EEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000273501081 464718356 /nfs/dbraw/zinc/71/83/56/464718356.db2.gz QEZYBEFBSSPHCW-DLBZAZTESA-N 2 2 345.491 2.226 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000591539590 468481136 /nfs/dbraw/zinc/48/11/36/468481136.db2.gz WABJGYANFQRELY-UHFFFAOYSA-N 2 2 340.471 2.190 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000591539590 468481142 /nfs/dbraw/zinc/48/11/42/468481142.db2.gz WABJGYANFQRELY-UHFFFAOYSA-N 2 2 340.471 2.190 20 30 EEEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000365989058 467014137 /nfs/dbraw/zinc/01/41/37/467014137.db2.gz RDTZYZOXXPURFX-QZTJIDSGSA-N 2 2 349.519 2.034 20 30 EEEDLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000528426655 467683735 /nfs/dbraw/zinc/68/37/35/467683735.db2.gz VLEIRFJIZJPXEG-NXHRZFHOSA-N 2 2 340.427 2.078 20 30 EEEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000528426655 467683738 /nfs/dbraw/zinc/68/37/38/467683738.db2.gz VLEIRFJIZJPXEG-NXHRZFHOSA-N 2 2 340.427 2.078 20 30 EEEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000489409399 468131823 /nfs/dbraw/zinc/13/18/23/468131823.db2.gz XKVUBCQNUVEOMD-IBGZPJMESA-N 2 2 343.471 2.498 20 30 EEEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000489409399 468131826 /nfs/dbraw/zinc/13/18/26/468131826.db2.gz XKVUBCQNUVEOMD-IBGZPJMESA-N 2 2 343.471 2.498 20 30 EEEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569573023 468512993 /nfs/dbraw/zinc/51/29/93/468512993.db2.gz OEDNZIYTEBWMDR-KBPBESRZSA-N 2 2 347.488 2.187 20 30 EEEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569573023 468512999 /nfs/dbraw/zinc/51/29/99/468512999.db2.gz OEDNZIYTEBWMDR-KBPBESRZSA-N 2 2 347.488 2.187 20 30 EEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000559641579 468749851 /nfs/dbraw/zinc/74/98/51/468749851.db2.gz ZBRNEJVHYKRNME-MRXNPFEDSA-N 2 2 329.444 2.122 20 30 EEEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000559641579 468749859 /nfs/dbraw/zinc/74/98/59/468749859.db2.gz ZBRNEJVHYKRNME-MRXNPFEDSA-N 2 2 329.444 2.122 20 30 EEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000595512013 468883357 /nfs/dbraw/zinc/88/33/57/468883357.db2.gz OWGKGPRJXOEKNB-UHFFFAOYSA-N 2 2 331.460 2.010 20 30 EEEDLP Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000593175147 468894994 /nfs/dbraw/zinc/89/49/94/468894994.db2.gz CQVQJJNOYXDQNT-UHFFFAOYSA-N 2 2 349.438 2.470 20 30 EEEDLP N#CC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CC#N)C3)COC2)C1 ZINC000595619826 468926575 /nfs/dbraw/zinc/92/65/75/468926575.db2.gz HDZJJHBZSMMANO-ROUUACIJSA-N 2 2 330.476 2.254 20 30 EEEDLP N#CC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CC#N)C3)COC2)C1 ZINC000595619826 468926578 /nfs/dbraw/zinc/92/65/78/468926578.db2.gz HDZJJHBZSMMANO-ROUUACIJSA-N 2 2 330.476 2.254 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000614621846 468993115 /nfs/dbraw/zinc/99/31/15/468993115.db2.gz PMZFEKCTMVGXGE-OAHLLOKOSA-N 2 2 346.862 2.110 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000614621846 468993118 /nfs/dbraw/zinc/99/31/18/468993118.db2.gz PMZFEKCTMVGXGE-OAHLLOKOSA-N 2 2 346.862 2.110 20 30 EEEDLP N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)c1 ZINC000610762496 469065262 /nfs/dbraw/zinc/06/52/62/469065262.db2.gz PNSOUIDCOSKONP-UHFFFAOYSA-N 2 2 346.394 2.325 20 30 EEEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489207 469479204 /nfs/dbraw/zinc/47/92/04/469479204.db2.gz NXHPTOQIODEMFH-YJLNNSPDSA-N 2 2 340.471 2.327 20 30 EEEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489207 469479206 /nfs/dbraw/zinc/47/92/06/469479206.db2.gz NXHPTOQIODEMFH-YJLNNSPDSA-N 2 2 340.471 2.327 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753936185 577796659 /nfs/dbraw/zinc/79/66/59/577796659.db2.gz SABYAIFETRELKN-OIISXLGYSA-N 2 2 325.460 2.354 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753936185 577796660 /nfs/dbraw/zinc/79/66/60/577796660.db2.gz SABYAIFETRELKN-OIISXLGYSA-N 2 2 325.460 2.354 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000746504017 577929228 /nfs/dbraw/zinc/92/92/28/577929228.db2.gz VQZBSXJUCIKMOD-SFHVURJKSA-N 2 2 339.483 2.065 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000746504017 577929229 /nfs/dbraw/zinc/92/92/29/577929229.db2.gz VQZBSXJUCIKMOD-SFHVURJKSA-N 2 2 339.483 2.065 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)CC1 ZINC000748818023 577967385 /nfs/dbraw/zinc/96/73/85/577967385.db2.gz QNYDBMHXOHGXHV-UHFFFAOYSA-N 2 2 341.499 2.412 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025252990 682340961 /nfs/dbraw/zinc/34/09/61/682340961.db2.gz RVGRXOHYBHWZJQ-QZTJIDSGSA-N 2 2 342.487 2.222 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025252990 682340966 /nfs/dbraw/zinc/34/09/66/682340966.db2.gz RVGRXOHYBHWZJQ-QZTJIDSGSA-N 2 2 342.487 2.222 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287977 682395515 /nfs/dbraw/zinc/39/55/15/682395515.db2.gz ILZPJVIAIHYWDX-MSOLQXFVSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287977 682395519 /nfs/dbraw/zinc/39/55/19/682395519.db2.gz ILZPJVIAIHYWDX-MSOLQXFVSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943253410 1192141964 /nfs/dbraw/zinc/14/19/64/1192141964.db2.gz IAAIVESMPQIHRM-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943253410 1192141965 /nfs/dbraw/zinc/14/19/65/1192141965.db2.gz IAAIVESMPQIHRM-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088408289 1186818190 /nfs/dbraw/zinc/81/81/90/1186818190.db2.gz RHFKSYXWBVEKEZ-GOSISDBHSA-N 2 2 336.439 2.480 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876439 1195414402 /nfs/dbraw/zinc/41/44/02/1195414402.db2.gz BMQHGTZZRGSCHH-WMZOPIPTSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876439 1195414403 /nfs/dbraw/zinc/41/44/03/1195414403.db2.gz BMQHGTZZRGSCHH-WMZOPIPTSA-N 2 2 330.476 2.335 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001114485521 1197896578 /nfs/dbraw/zinc/89/65/78/1197896578.db2.gz DZZPOGPTRHPNFV-IMBTUZDBSA-N 2 2 344.503 2.462 20 30 EEEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001114485521 1197896583 /nfs/dbraw/zinc/89/65/83/1197896583.db2.gz DZZPOGPTRHPNFV-IMBTUZDBSA-N 2 2 344.503 2.462 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132376824 1199638311 /nfs/dbraw/zinc/63/83/11/1199638311.db2.gz QZGGCRZLBWGJOK-CABCVRRESA-N 2 2 348.516 2.431 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132376824 1199638314 /nfs/dbraw/zinc/63/83/14/1199638314.db2.gz QZGGCRZLBWGJOK-CABCVRRESA-N 2 2 348.516 2.431 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132925142 1200200617 /nfs/dbraw/zinc/20/06/17/1200200617.db2.gz UPNMVCNDVJFCGX-DOTOQJQBSA-N 2 2 330.476 2.024 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132925599 1200201606 /nfs/dbraw/zinc/20/16/06/1200201606.db2.gz YTNONQQCVDYWMK-RDJZCZTQSA-N 2 2 331.460 2.283 20 30 EEEDLP CCC(CC)[C@@H](CNC(NCc1ccco1)=[NH+]C)[NH+]1CCOCC1 ZINC000103337790 1204567808 /nfs/dbraw/zinc/56/78/08/1204567808.db2.gz UVJWXUWQVAMBJF-QGZVFWFLSA-N 2 2 336.480 2.082 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001095556484 1205873117 /nfs/dbraw/zinc/87/31/17/1205873117.db2.gz UDOLEVQSRMSCEG-FYQPLNBISA-N 2 2 341.499 2.306 20 30 EEEDLP 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COc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000303773145 1213904134 /nfs/dbraw/zinc/90/41/34/1213904134.db2.gz FBXWXQQZXFEVTO-ZIAGYGMSSA-N 2 2 334.464 2.310 20 30 EEEDLP C#CC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC000957577920 1215225408 /nfs/dbraw/zinc/22/54/08/1215225408.db2.gz NDLAQQNZIZQLQT-UHFFFAOYSA-N 2 2 336.439 2.286 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618822 1215262887 /nfs/dbraw/zinc/26/28/87/1215262887.db2.gz IYIRCPUTUFNYBG-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618822 1215262891 /nfs/dbraw/zinc/26/28/91/1215262891.db2.gz IYIRCPUTUFNYBG-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961417182 1217181761 /nfs/dbraw/zinc/18/17/61/1217181761.db2.gz XEYLWIGTVJZMDJ-HKUYNNGSSA-N 2 2 342.487 2.418 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961417182 1217181763 /nfs/dbraw/zinc/18/17/63/1217181763.db2.gz XEYLWIGTVJZMDJ-HKUYNNGSSA-N 2 2 342.487 2.418 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000964067787 1218224358 /nfs/dbraw/zinc/22/43/58/1218224358.db2.gz SGQVFZNCAWLTDW-RWQKBRBCSA-N 2 2 348.878 2.215 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016009983 1225954292 /nfs/dbraw/zinc/95/42/92/1225954292.db2.gz WXISUFXIDMRUAO-KRWDZBQOSA-N 2 2 349.438 2.024 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001016009983 1225954297 /nfs/dbraw/zinc/95/42/97/1225954297.db2.gz WXISUFXIDMRUAO-KRWDZBQOSA-N 2 2 349.438 2.024 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967492007 1220561730 /nfs/dbraw/zinc/56/17/30/1220561730.db2.gz BJXNKXJANKPJPZ-LPHOPBHVSA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967492007 1220561732 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337.427 2.097 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001038864593 1230119740 /nfs/dbraw/zinc/11/97/40/1230119740.db2.gz AURIGWGZGBZTEY-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001038864593 1230119741 /nfs/dbraw/zinc/11/97/41/1230119741.db2.gz AURIGWGZGBZTEY-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038923814 1230167782 /nfs/dbraw/zinc/16/77/82/1230167782.db2.gz YBELRMXFXOYMRZ-KRWDZBQOSA-N 2 2 349.438 2.024 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038923814 1230167785 /nfs/dbraw/zinc/16/77/85/1230167785.db2.gz YBELRMXFXOYMRZ-KRWDZBQOSA-N 2 2 349.438 2.024 20 30 EEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260949 1231138633 /nfs/dbraw/zinc/13/86/33/1231138633.db2.gz JLRSFVXTJRBTHK-IBGZPJMESA-N 2 2 329.444 2.133 20 30 EEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260949 1231138634 /nfs/dbraw/zinc/13/86/34/1231138634.db2.gz JLRSFVXTJRBTHK-IBGZPJMESA-N 2 2 329.444 2.133 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040492906 1231261448 /nfs/dbraw/zinc/26/14/48/1231261448.db2.gz HHDPRYPSFHPLSE-LJQANCHMSA-N 2 2 328.460 2.025 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040492906 1231261450 /nfs/dbraw/zinc/26/14/50/1231261450.db2.gz HHDPRYPSFHPLSE-LJQANCHMSA-N 2 2 328.460 2.025 20 30 EEEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001040751806 1231357259 /nfs/dbraw/zinc/35/72/59/1231357259.db2.gz ACUUSTXKIZPSDK-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC001040750501 1231357493 /nfs/dbraw/zinc/35/74/93/1231357493.db2.gz OVPUVRJUPUSTSD-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001040915331 1231403734 /nfs/dbraw/zinc/40/37/34/1231403734.db2.gz 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ZINC001208387328 1324467726 /nfs/dbraw/zinc/46/77/26/1324467726.db2.gz QRNKYXFITFPRLA-QZTJIDSGSA-N 2 2 348.491 2.254 20 30 EEEDLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC#Cc1ccccc1 ZINC001317398752 1332214096 /nfs/dbraw/zinc/21/40/96/1332214096.db2.gz HAAZLSUICIPNAR-KRWDZBQOSA-N 2 2 346.434 2.484 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001100349028 1338294145 /nfs/dbraw/zinc/29/41/45/1338294145.db2.gz OULBHCYDYIYVNP-JMLCCBQJSA-N 2 2 345.491 2.241 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001100349028 1338294146 /nfs/dbraw/zinc/29/41/46/1338294146.db2.gz OULBHCYDYIYVNP-JMLCCBQJSA-N 2 2 345.491 2.241 20 30 EEEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC001647563853 1353327156 /nfs/dbraw/zinc/32/71/56/1353327156.db2.gz OTKZSRWVQUJPJN-AEFFLSMTSA-N 2 2 342.443 2.199 20 30 EEEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC001202940723 1372508799 /nfs/dbraw/zinc/50/87/99/1372508799.db2.gz SVPZLEHBWZSDSJ-IRXDYDNUSA-N 2 2 342.487 2.355 20 30 EEEDLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC001366123318 1373811838 /nfs/dbraw/zinc/81/18/38/1373811838.db2.gz JRYMQRWKCYARDJ-ZTFGCOKTSA-N 2 2 337.427 2.143 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001379098303 1380511318 /nfs/dbraw/zinc/51/13/18/1380511318.db2.gz HWFBZQRBLDQPAI-GOSISDBHSA-N 2 2 348.466 2.174 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001379098303 1380511321 /nfs/dbraw/zinc/51/13/21/1380511321.db2.gz HWFBZQRBLDQPAI-GOSISDBHSA-N 2 2 348.466 2.174 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001754920720 1406997242 /nfs/dbraw/zinc/99/72/42/1406997242.db2.gz HIMYUJDRPUGADC-CABCVRRESA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001424686732 1401219641 /nfs/dbraw/zinc/21/96/41/1401219641.db2.gz TUSHXAQISRGOJQ-IXDOHACOSA-N 2 2 335.879 2.451 20 30 EEEDLP CN(CC[N@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001732577449 1405964884 /nfs/dbraw/zinc/96/48/84/1405964884.db2.gz ZXTSBKQMNJUNAU-GOSISDBHSA-N 2 2 347.890 2.176 20 30 EEEDLP CN(CC[N@@H+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001732577449 1405964888 /nfs/dbraw/zinc/96/48/88/1405964888.db2.gz ZXTSBKQMNJUNAU-GOSISDBHSA-N 2 2 347.890 2.176 20 30 EEEDLP CN(CC[NH+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001732577449 1405964897 /nfs/dbraw/zinc/96/48/97/1405964897.db2.gz ZXTSBKQMNJUNAU-GOSISDBHSA-N 2 2 347.890 2.176 20 30 EEEDLP CN(CC[NH+](C)CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001732577449 1405964905 /nfs/dbraw/zinc/96/49/05/1405964905.db2.gz ZXTSBKQMNJUNAU-GOSISDBHSA-N 2 2 347.890 2.176 20 30 EEEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755677843 1407724688 /nfs/dbraw/zinc/72/46/88/1407724688.db2.gz CHBFYEPMLXYFNK-PBHICJAKSA-N 2 2 342.443 2.038 20 30 EEEDLP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC001755756524 1407814988 /nfs/dbraw/zinc/81/49/88/1407814988.db2.gz GFFYQQSJKQMMKL-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026206 782340832 /nfs/dbraw/zinc/34/08/32/782340832.db2.gz LFARQYZADMOMBO-HITLURFISA-N 2 2 331.460 2.254 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026206 782340839 /nfs/dbraw/zinc/34/08/39/782340839.db2.gz LFARQYZADMOMBO-HITLURFISA-N 2 2 331.460 2.254 20 30 EEEDLP C=CCN(CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)C(=O)OCC ZINC001209024618 757254820 /nfs/dbraw/zinc/25/48/20/757254820.db2.gz VHJMEKYJYWWIJJ-INIZCTEOSA-N 2 2 333.432 2.488 20 30 EEEDLP C=CCN(CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)C(=O)OCC ZINC001209024618 757254826 /nfs/dbraw/zinc/25/48/26/757254826.db2.gz VHJMEKYJYWWIJJ-INIZCTEOSA-N 2 2 333.432 2.488 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665137 764682449 /nfs/dbraw/zinc/68/24/49/764682449.db2.gz NAZWSWNTHXIPBW-BZUAXINKSA-N 2 2 330.476 2.480 20 30 EEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001104901940 765537339 /nfs/dbraw/zinc/53/73/39/765537339.db2.gz ATIACPHIUMKOPN-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423579 768998239 /nfs/dbraw/zinc/99/82/39/768998239.db2.gz LDZTUFSJALFRHV-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423579 768998245 /nfs/dbraw/zinc/99/82/45/768998245.db2.gz LDZTUFSJALFRHV-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccc(C)c2)CC1 ZINC000981361528 777253054 /nfs/dbraw/zinc/25/30/54/777253054.db2.gz RFDZIVICOOJEMY-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(C)c2)CC1 ZINC000981361528 777253058 /nfs/dbraw/zinc/25/30/58/777253058.db2.gz RFDZIVICOOJEMY-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2cccc(C)c2)CC1 ZINC000981361528 777253062 /nfs/dbraw/zinc/25/30/62/777253062.db2.gz RFDZIVICOOJEMY-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2cccc(C)c2)CC1 ZINC000981361528 777253065 /nfs/dbraw/zinc/25/30/65/777253065.db2.gz RFDZIVICOOJEMY-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC000981365186 777259113 /nfs/dbraw/zinc/25/91/13/777259113.db2.gz JRMYIBDFMYOMJB-QUCCMNQESA-N 2 2 339.483 2.380 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000981365186 777259118 /nfs/dbraw/zinc/25/91/18/777259118.db2.gz JRMYIBDFMYOMJB-QUCCMNQESA-N 2 2 339.483 2.380 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000981365186 777259126 /nfs/dbraw/zinc/25/91/26/777259126.db2.gz JRMYIBDFMYOMJB-QUCCMNQESA-N 2 2 339.483 2.380 20 30 EEEDLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167841480 777287879 /nfs/dbraw/zinc/28/78/79/777287879.db2.gz VCNLXPRJTPUEOE-KOMQPUFPSA-N 2 2 328.464 2.454 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028258925 779714171 /nfs/dbraw/zinc/71/41/71/779714171.db2.gz FIYHTMWVLDYGDH-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028258925 779714179 /nfs/dbraw/zinc/71/41/79/779714179.db2.gz FIYHTMWVLDYGDH-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135576140 784026992 /nfs/dbraw/zinc/02/69/92/784026992.db2.gz RLANFNITWGPTGV-CABCVRRESA-N 2 2 342.418 2.016 20 30 EEEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135588633 784060585 /nfs/dbraw/zinc/06/05/85/784060585.db2.gz AVXJFXNTMBASKD-SJORKVTESA-N 2 2 337.508 2.080 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001136032000 785013343 /nfs/dbraw/zinc/01/33/43/785013343.db2.gz UNZLPDRWCQRACQ-UONOGXRCSA-N 2 2 339.443 2.205 20 30 EEEDLP C=CCc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000817909413 785061296 /nfs/dbraw/zinc/06/12/96/785061296.db2.gz QKUSSKQBDWQZTJ-MOPGFXCFSA-N 2 2 346.471 2.289 20 30 EEEDLP C=CCc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000817909415 785061738 /nfs/dbraw/zinc/06/17/38/785061738.db2.gz QKUSSKQBDWQZTJ-RBUKOAKNSA-N 2 2 346.471 2.289 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035798850 785150999 /nfs/dbraw/zinc/15/09/99/785150999.db2.gz SXGCHECQZONFRV-HZPDHXFCSA-N 2 2 328.460 2.024 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000995978190 785884331 /nfs/dbraw/zinc/88/43/31/785884331.db2.gz UFXPHXJKPPDVSW-ZIAGYGMSSA-N 2 2 336.867 2.025 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991469373 789008412 /nfs/dbraw/zinc/00/84/12/789008412.db2.gz GCXXKFUPBMISKN-SZVBFZGTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991469373 789008424 /nfs/dbraw/zinc/00/84/24/789008424.db2.gz GCXXKFUPBMISKN-SZVBFZGTSA-N 2 2 328.460 2.135 20 30 EEEDLP N#Cc1cncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144080247 789219594 /nfs/dbraw/zinc/21/95/94/789219594.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144080247 789219603 /nfs/dbraw/zinc/21/96/03/789219603.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144080247 789219610 /nfs/dbraw/zinc/21/96/10/789219610.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001144080247 789219615 /nfs/dbraw/zinc/21/96/15/789219615.db2.gz GSMWPMZDZQXHGH-UXHICEINSA-N 2 2 333.439 2.302 20 30 EEEDLP [NH2+]=C(Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171185221 789786687 /nfs/dbraw/zinc/78/66/87/789786687.db2.gz UIOZWZANSWJWJT-QGZVFWFLSA-N 2 2 349.394 2.113 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050988 791892085 /nfs/dbraw/zinc/89/20/85/791892085.db2.gz KNQRXQSHPABWNL-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050988 791892093 /nfs/dbraw/zinc/89/20/93/791892093.db2.gz KNQRXQSHPABWNL-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945565 793042372 /nfs/dbraw/zinc/04/23/72/793042372.db2.gz DWCSMUUDCZKERA-AWEZNQCLSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001091801029 793272770 /nfs/dbraw/zinc/27/27/70/793272770.db2.gz YJUPTRWYFWFIGQ-YRNRMSPPSA-N 2 2 342.487 2.179 20 30 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C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC001031435025 798402890 /nfs/dbraw/zinc/40/28/90/798402890.db2.gz NLCJDUYXQWHADJ-KRWDZBQOSA-N 2 2 339.483 2.202 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084850133 798503585 /nfs/dbraw/zinc/50/35/85/798503585.db2.gz LNEFEHUOANMWEB-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084850133 798503587 /nfs/dbraw/zinc/50/35/87/798503587.db2.gz LNEFEHUOANMWEB-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001177413614 798931716 /nfs/dbraw/zinc/93/17/16/798931716.db2.gz XUKAALXEWMTYDV-QGZVFWFLSA-N 2 2 342.487 2.461 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431317 798963771 /nfs/dbraw/zinc/96/37/71/798963771.db2.gz SULDPFRIIUOXFG-KRWDZBQOSA-N 2 2 330.476 2.466 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001181946538 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ZINC001438171107 1090681393 /nfs/dbraw/zinc/68/13/93/1090681393.db2.gz QLZUWGVBDCJZGO-UHFFFAOYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001438171107 1090681397 /nfs/dbraw/zinc/68/13/97/1090681397.db2.gz QLZUWGVBDCJZGO-UHFFFAOYSA-N 2 2 327.900 2.442 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)cc1 ZINC001440317532 1093452401 /nfs/dbraw/zinc/45/24/01/1093452401.db2.gz CVNMFYVCFCTKAQ-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)cc1 ZINC001440317532 1093452404 /nfs/dbraw/zinc/45/24/04/1093452404.db2.gz CVNMFYVCFCTKAQ-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248032300 160336943 /nfs/dbraw/zinc/33/69/43/160336943.db2.gz QSBSHAXOUFNULJ-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248032300 160336945 /nfs/dbraw/zinc/33/69/45/160336945.db2.gz QSBSHAXOUFNULJ-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248032300 160336947 /nfs/dbraw/zinc/33/69/47/160336947.db2.gz QSBSHAXOUFNULJ-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248032300 160336948 /nfs/dbraw/zinc/33/69/48/160336948.db2.gz QSBSHAXOUFNULJ-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367318311 287130759 /nfs/dbraw/zinc/13/07/59/287130759.db2.gz FOHNTMIQVUPHCQ-KSSFIOAISA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367318311 287130761 /nfs/dbraw/zinc/13/07/61/287130761.db2.gz FOHNTMIQVUPHCQ-KSSFIOAISA-N 2 2 326.444 2.033 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397620 279088065 /nfs/dbraw/zinc/08/80/65/279088065.db2.gz GVQVOWXHJZCNGB-INIZCTEOSA-N 2 2 328.460 2.105 20 30 EEEDLP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000567617930 319398031 /nfs/dbraw/zinc/39/80/31/319398031.db2.gz ZUWLMLAXBMPHQF-INIZCTEOSA-N 2 2 339.443 2.296 20 30 EEEDLP C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000061758777 462598550 /nfs/dbraw/zinc/59/85/50/462598550.db2.gz BEHYGQVMCSRYHI-UHFFFAOYSA-N 2 2 331.460 2.355 20 30 EEEDLP C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000061758777 462598553 /nfs/dbraw/zinc/59/85/53/462598553.db2.gz BEHYGQVMCSRYHI-UHFFFAOYSA-N 2 2 331.460 2.355 20 30 EEEDLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000154339436 462756741 /nfs/dbraw/zinc/75/67/41/462756741.db2.gz ZWSNZBCDAKFVOG-KRWDZBQOSA-N 2 2 342.487 2.005 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000154339436 462756744 /nfs/dbraw/zinc/75/67/44/462756744.db2.gz ZWSNZBCDAKFVOG-KRWDZBQOSA-N 2 2 342.487 2.005 20 30 EEEDLP C[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540872 463039018 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C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268369718 463720616 /nfs/dbraw/zinc/72/06/16/463720616.db2.gz HMAZILJTRSLRFN-SUMDDJOVSA-N 2 2 340.427 2.078 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397144 463914100 /nfs/dbraw/zinc/91/41/00/463914100.db2.gz ZGDHVHQUAPTVJN-FUHWJXTLSA-N 2 2 326.444 2.080 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397144 463914104 /nfs/dbraw/zinc/91/41/04/463914104.db2.gz ZGDHVHQUAPTVJN-FUHWJXTLSA-N 2 2 326.444 2.080 20 30 EEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1ncc(C(C)(C)C)o1 ZINC000262468671 464029846 /nfs/dbraw/zinc/02/98/46/464029846.db2.gz GPANIKCAKRLDRO-UHFFFAOYSA-N 2 2 344.463 2.370 20 30 EEEDLP COc1ccc(CCNC(=[NH2+])NCCc2cc[nH+]cc2C)cc1OC ZINC000269929347 464131591 /nfs/dbraw/zinc/13/15/91/464131591.db2.gz CSZMJUSYAKZOLB-UHFFFAOYSA-N 2 2 342.443 2.097 20 30 EEEDLP C=C1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000264506871 464353300 /nfs/dbraw/zinc/35/33/00/464353300.db2.gz WQYWRMCZCYASKB-UHFFFAOYSA-N 2 2 329.444 2.109 20 30 EEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000274848073 464756359 /nfs/dbraw/zinc/75/63/59/464756359.db2.gz QGIXTZGSVIPIPX-ZIFCJYIRSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000274848073 464756361 /nfs/dbraw/zinc/75/63/61/464756361.db2.gz QGIXTZGSVIPIPX-ZIFCJYIRSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267002634 464901746 /nfs/dbraw/zinc/90/17/46/464901746.db2.gz ICDAYONMHBJXNS-PBHICJAKSA-N 2 2 346.475 2.080 20 30 EEEDLP [NH2+]=C(NCC[NH+]1CCSCC1)NCc1cccc(C(F)(F)F)c1 ZINC000267478030 464934593 /nfs/dbraw/zinc/93/45/93/464934593.db2.gz ZVYFXOCNNZPWFW-UHFFFAOYSA-N 2 2 346.422 2.159 20 30 EEEDLP Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000329478352 465346775 /nfs/dbraw/zinc/34/67/75/465346775.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 2 348.495 2.122 20 30 EEEDLP Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000329478352 465346781 /nfs/dbraw/zinc/34/67/81/465346781.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 2 348.495 2.122 20 30 EEEDLP Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000329478352 465346787 /nfs/dbraw/zinc/34/67/87/465346787.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 2 348.495 2.122 20 30 EEEDLP Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000329478352 465346794 /nfs/dbraw/zinc/34/67/94/465346794.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 2 348.495 2.122 20 30 EEEDLP Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000329478352 465346799 /nfs/dbraw/zinc/34/67/99/465346799.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 2 348.495 2.122 20 30 EEEDLP Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000329478352 465346806 /nfs/dbraw/zinc/34/68/06/465346806.db2.gz QBUQPPSIWSQUSA-OAHLLOKOSA-N 2 2 348.495 2.122 20 30 EEEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000358866766 465362244 /nfs/dbraw/zinc/36/22/44/465362244.db2.gz UNKCKSSKWVIODO-KSZLIROESA-N 2 2 348.491 2.020 20 30 EEEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000358866766 465362250 /nfs/dbraw/zinc/36/22/50/465362250.db2.gz UNKCKSSKWVIODO-KSZLIROESA-N 2 2 348.491 2.020 20 30 EEEDLP C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)([NH+](C)C)C1 ZINC000329619717 465388983 /nfs/dbraw/zinc/38/89/83/465388983.db2.gz QXBJBLIQMHQXMF-LBTNJELSSA-N 2 2 333.480 2.281 20 30 EEEDLP C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)([NH+](C)C)C1 ZINC000329619717 465388989 /nfs/dbraw/zinc/38/89/89/465388989.db2.gz QXBJBLIQMHQXMF-LBTNJELSSA-N 2 2 333.480 2.281 20 30 EEEDLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)c1 ZINC000329712767 465412374 /nfs/dbraw/zinc/41/23/74/465412374.db2.gz QMOOBJOISJCMOL-MRXNPFEDSA-N 2 2 343.475 2.076 20 30 EEEDLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)c1 ZINC000329712767 465412379 /nfs/dbraw/zinc/41/23/79/465412379.db2.gz QMOOBJOISJCMOL-MRXNPFEDSA-N 2 2 343.475 2.076 20 30 EEEDLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCn2cc[nH+]c2C1 ZINC000330019258 465508153 /nfs/dbraw/zinc/50/81/53/465508153.db2.gz UUTWXEDYGUXPKQ-UHFFFAOYSA-N 2 2 331.464 2.410 20 30 EEEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H](c2ccccc2)C1 ZINC000330282308 465597589 /nfs/dbraw/zinc/59/75/89/465597589.db2.gz VGAXTYUQOLBNLY-IAGOWNOFSA-N 2 2 339.443 2.101 20 30 EEEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H](c2ccccc2)C1 ZINC000330282308 465597592 /nfs/dbraw/zinc/59/75/92/465597592.db2.gz VGAXTYUQOLBNLY-IAGOWNOFSA-N 2 2 339.443 2.101 20 30 EEEDLP CSC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305775600 466459757 /nfs/dbraw/zinc/45/97/57/466459757.db2.gz JZHABYORXIDLCB-SFHVURJKSA-N 2 2 333.501 2.226 20 30 EEEDLP CN(CCC#N)C(=O)CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452118344 467329917 /nfs/dbraw/zinc/32/99/17/467329917.db2.gz OPTXTFDYWDGFLC-UHFFFAOYSA-N 2 2 348.413 2.097 20 30 EEEDLP CN(CCC#N)C(=O)CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452118344 467329921 /nfs/dbraw/zinc/32/99/21/467329921.db2.gz OPTXTFDYWDGFLC-UHFFFAOYSA-N 2 2 348.413 2.097 20 30 EEEDLP C[NH+](C)CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000573407515 469123828 /nfs/dbraw/zinc/12/38/28/469123828.db2.gz RPDZBRGPGYVWIY-UHFFFAOYSA-N 2 2 326.448 2.242 20 30 EEEDLP C[NH+](C)CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000573407515 469123834 /nfs/dbraw/zinc/12/38/34/469123834.db2.gz RPDZBRGPGYVWIY-UHFFFAOYSA-N 2 2 326.448 2.242 20 30 EEEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC000602034851 469155852 /nfs/dbraw/zinc/15/58/52/469155852.db2.gz UUOJTTXBLBLJRU-UHFFFAOYSA-N 2 2 342.487 2.180 20 30 EEEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC000602034851 469155856 /nfs/dbraw/zinc/15/58/56/469155856.db2.gz UUOJTTXBLBLJRU-UHFFFAOYSA-N 2 2 342.487 2.180 20 30 EEEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674273 471440954 /nfs/dbraw/zinc/44/09/54/471440954.db2.gz OVSKEIOUICKSNW-UHFFFAOYSA-N 2 2 327.472 2.441 20 30 EEEDLP C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382776 471735854 /nfs/dbraw/zinc/73/58/54/471735854.db2.gz XMLGZIHAKXRRGU-MSOLQXFVSA-N 2 2 342.487 2.407 20 30 EEEDLP C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382776 471735857 /nfs/dbraw/zinc/73/58/57/471735857.db2.gz XMLGZIHAKXRRGU-MSOLQXFVSA-N 2 2 342.487 2.407 20 30 EEEDLP C=C[C@@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000495178237 534547215 /nfs/dbraw/zinc/54/72/15/534547215.db2.gz YGMDGEGZNDYSFR-QGZVFWFLSA-N 2 2 334.508 2.295 20 30 EEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415660 535262783 /nfs/dbraw/zinc/26/27/83/535262783.db2.gz DKTJNMJOHSXIFW-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415660 535262790 /nfs/dbraw/zinc/26/27/90/535262790.db2.gz DKTJNMJOHSXIFW-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415660 535262792 /nfs/dbraw/zinc/26/27/92/535262792.db2.gz DKTJNMJOHSXIFW-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415660 535262795 /nfs/dbraw/zinc/26/27/95/535262795.db2.gz DKTJNMJOHSXIFW-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000730285067 577016474 /nfs/dbraw/zinc/01/64/74/577016474.db2.gz HIOYGBRORPKDDW-LPHOPBHVSA-N 2 2 341.455 2.116 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000730285067 577016475 /nfs/dbraw/zinc/01/64/75/577016475.db2.gz HIOYGBRORPKDDW-LPHOPBHVSA-N 2 2 341.455 2.116 20 30 EEEDLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(CC#N)CC3)CC2)cc1 ZINC000765855319 577508305 /nfs/dbraw/zinc/50/83/05/577508305.db2.gz DHBKLDDYUYZZBJ-UHFFFAOYSA-N 2 2 341.503 2.299 20 30 EEEDLP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000768516502 577557585 /nfs/dbraw/zinc/55/75/85/577557585.db2.gz VHBTYOFGEZFEFV-PXNSSMCTSA-N 2 2 326.488 2.475 20 30 EEEDLP C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000768516502 577557586 /nfs/dbraw/zinc/55/75/86/577557586.db2.gz VHBTYOFGEZFEFV-PXNSSMCTSA-N 2 2 326.488 2.475 20 30 EEEDLP N#CCn1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccccc2c1=O ZINC000746454623 577927962 /nfs/dbraw/zinc/92/79/62/577927962.db2.gz VWVAZWWUTKYNRL-AWEZNQCLSA-N 2 2 348.410 2.023 20 30 EEEDLP N#CCn1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccccc2c1=O ZINC000746454623 577927963 /nfs/dbraw/zinc/92/79/63/577927963.db2.gz VWVAZWWUTKYNRL-AWEZNQCLSA-N 2 2 348.410 2.023 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000748814265 577967082 /nfs/dbraw/zinc/96/70/82/577967082.db2.gz XTXXMAUGOPJRHS-HXUWFJFHSA-N 2 2 339.483 2.381 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000748814265 577967083 /nfs/dbraw/zinc/96/70/83/577967083.db2.gz XTXXMAUGOPJRHS-HXUWFJFHSA-N 2 2 339.483 2.381 20 30 EEEDLP CC(=NNCC[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613230 578161383 /nfs/dbraw/zinc/16/13/83/578161383.db2.gz WKGHPFDFMHLOEG-HXUWFJFHSA-N 2 2 344.503 2.339 20 30 EEEDLP CC(=NNCC[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613230 578161384 /nfs/dbraw/zinc/16/13/84/578161384.db2.gz WKGHPFDFMHLOEG-HXUWFJFHSA-N 2 2 344.503 2.339 20 30 EEEDLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)n1cc[nH+]c1 ZINC000970128981 675539944 /nfs/dbraw/zinc/53/99/44/675539944.db2.gz JPOJOJWVQIFMTM-CRAIPNDOSA-N 2 2 337.427 2.097 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC001022692976 678241979 /nfs/dbraw/zinc/24/19/79/678241979.db2.gz UTROBPSNRJZPLI-BBWFWOEESA-N 2 2 349.438 2.138 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514728 679349887 /nfs/dbraw/zinc/34/98/87/679349887.db2.gz QPFOFDWQAAVKQG-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024660163 681323454 /nfs/dbraw/zinc/32/34/54/681323454.db2.gz JZHQDNJPLLFNIG-GVDBMIGSSA-N 2 2 330.476 2.461 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024660163 681323457 /nfs/dbraw/zinc/32/34/57/681323457.db2.gz JZHQDNJPLLFNIG-GVDBMIGSSA-N 2 2 330.476 2.461 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982764438 682153438 /nfs/dbraw/zinc/15/34/38/682153438.db2.gz WJMVHABMWLOJNY-KDURUIRLSA-N 2 2 330.476 2.397 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982764438 682153445 /nfs/dbraw/zinc/15/34/45/682153445.db2.gz WJMVHABMWLOJNY-KDURUIRLSA-N 2 2 330.476 2.397 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294816 682405650 /nfs/dbraw/zinc/40/56/50/682405650.db2.gz CVBTYEVIVUFKMO-RBUKOAKNSA-N 2 2 342.487 2.222 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294816 682405653 /nfs/dbraw/zinc/40/56/53/682405653.db2.gz CVBTYEVIVUFKMO-RBUKOAKNSA-N 2 2 342.487 2.222 20 30 EEEDLP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262007319 682806898 /nfs/dbraw/zinc/80/68/98/682806898.db2.gz VXFJMINWEXATDT-DLBZAZTESA-N 3 2 346.523 2.216 20 30 EEEDLP C[NH+]=C(NCC[NH+]1CCC(C)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262012291 682840769 /nfs/dbraw/zinc/84/07/69/682840769.db2.gz WWVYAGMPTUITRU-ZWKOTPCHSA-N 3 2 346.523 2.073 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975047699 686075753 /nfs/dbraw/zinc/07/57/53/686075753.db2.gz GFNKOWFMRXRYNG-CQSZACIVSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975047699 686075754 /nfs/dbraw/zinc/07/57/54/686075754.db2.gz GFNKOWFMRXRYNG-CQSZACIVSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975047699 686075755 /nfs/dbraw/zinc/07/57/55/686075755.db2.gz GFNKOWFMRXRYNG-CQSZACIVSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975047699 686075756 /nfs/dbraw/zinc/07/57/56/686075756.db2.gz GFNKOWFMRXRYNG-CQSZACIVSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000985594831 687281669 /nfs/dbraw/zinc/28/16/69/687281669.db2.gz DMOSDGDPPFRVER-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000985594831 687281671 /nfs/dbraw/zinc/28/16/71/687281671.db2.gz DMOSDGDPPFRVER-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000985594831 687281674 /nfs/dbraw/zinc/28/16/74/687281674.db2.gz DMOSDGDPPFRVER-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000985594831 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EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001045797687 1234005183 /nfs/dbraw/zinc/00/51/83/1234005183.db2.gz VRBOXJVAZCMLRR-QYZOEREBSA-N 2 2 331.504 2.195 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001045797687 1234005188 /nfs/dbraw/zinc/00/51/88/1234005188.db2.gz VRBOXJVAZCMLRR-QYZOEREBSA-N 2 2 331.504 2.195 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001045797687 1234005192 /nfs/dbraw/zinc/00/51/92/1234005192.db2.gz VRBOXJVAZCMLRR-QYZOEREBSA-N 2 2 331.504 2.195 20 30 EEEDLP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047257285 1235761115 /nfs/dbraw/zinc/76/11/15/1235761115.db2.gz JGCOMJLRQRQFKE-FUHWJXTLSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047257285 1235761117 /nfs/dbraw/zinc/76/11/17/1235761117.db2.gz JGCOMJLRQRQFKE-FUHWJXTLSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)CC1 ZINC001000188555 1240042849 /nfs/dbraw/zinc/04/28/49/1240042849.db2.gz DBXMHRRBLPQMNQ-MRXNPFEDSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001000205670 1240059695 /nfs/dbraw/zinc/05/96/95/1240059695.db2.gz XGZFZXJJBMTWOH-INIZCTEOSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001049557857 1241410115 /nfs/dbraw/zinc/41/01/15/1241410115.db2.gz KWZWIDCZJYBCQY-KZNAEPCWSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001049557857 1241410121 /nfs/dbraw/zinc/41/01/21/1241410121.db2.gz KWZWIDCZJYBCQY-KZNAEPCWSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049559508 1241414234 /nfs/dbraw/zinc/41/42/34/1241414234.db2.gz XEDRTQHZSXSVHW-GVDBMIGSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049559508 1241414241 /nfs/dbraw/zinc/41/42/41/1241414241.db2.gz XEDRTQHZSXSVHW-GVDBMIGSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052863171 1245407296 /nfs/dbraw/zinc/40/72/96/1245407296.db2.gz HQXJQBBCOVNLAS-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052863171 1245407300 /nfs/dbraw/zinc/40/73/00/1245407300.db2.gz HQXJQBBCOVNLAS-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)CO2 ZINC001053979716 1247101836 /nfs/dbraw/zinc/10/18/36/1247101836.db2.gz AKJOARORPCQEKV-MSOLQXFVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)CO2 ZINC001053979716 1247101839 /nfs/dbraw/zinc/10/18/39/1247101839.db2.gz AKJOARORPCQEKV-MSOLQXFVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC001071176081 1254030703 /nfs/dbraw/zinc/03/07/03/1254030703.db2.gz PRALJPDEATWDIH-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC001071176081 1254030714 /nfs/dbraw/zinc/03/07/14/1254030714.db2.gz PRALJPDEATWDIH-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071176081 1254030720 /nfs/dbraw/zinc/03/07/20/1254030720.db2.gz PRALJPDEATWDIH-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071176081 1254030729 /nfs/dbraw/zinc/03/07/29/1254030729.db2.gz PRALJPDEATWDIH-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCCO1 ZINC001200954423 1287233697 /nfs/dbraw/zinc/23/36/97/1287233697.db2.gz AWANRRUNDWBHTN-MRXNPFEDSA-N 2 2 342.443 2.121 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001191931061 1281711394 /nfs/dbraw/zinc/71/13/94/1281711394.db2.gz PEANVYMOQFKREK-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001191931061 1281711405 /nfs/dbraw/zinc/71/14/05/1281711405.db2.gz PEANVYMOQFKREK-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001191931061 1281711410 /nfs/dbraw/zinc/71/14/10/1281711410.db2.gz PEANVYMOQFKREK-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001191931061 1281711419 /nfs/dbraw/zinc/71/14/19/1281711419.db2.gz PEANVYMOQFKREK-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1OC ZINC001198977974 1285456949 /nfs/dbraw/zinc/45/69/49/1285456949.db2.gz YCAMESKENJMIAN-KRWDZBQOSA-N 2 2 342.443 2.292 20 30 EEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524246 1289651982 /nfs/dbraw/zinc/65/19/82/1289651982.db2.gz GYLVVONSARSMSJ-SJORKVTESA-N 2 2 334.464 2.008 20 30 EEEDLP C#Cc1cccc(C[N@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)c1 ZINC001276715545 1296645820 /nfs/dbraw/zinc/64/58/20/1296645820.db2.gz FAYVMFHJXCURFC-OAQYLSRUSA-N 2 2 348.450 2.026 20 30 EEEDLP C#Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)c1 ZINC001276715545 1296645835 /nfs/dbraw/zinc/64/58/35/1296645835.db2.gz FAYVMFHJXCURFC-OAQYLSRUSA-N 2 2 348.450 2.026 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185519 1297096998 /nfs/dbraw/zinc/09/69/98/1297096998.db2.gz WOKFCWIXRDTGAH-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3[nH]ccc3C#N)CC2)C1 ZINC001276840301 1299874496 /nfs/dbraw/zinc/87/44/96/1299874496.db2.gz MKOJAEYBOGSULS-UHFFFAOYSA-N 2 2 329.492 2.126 20 30 EEEDLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3[nH]ccc3C#N)CC2)C1 ZINC001276840301 1299874498 /nfs/dbraw/zinc/87/44/98/1299874498.db2.gz MKOJAEYBOGSULS-UHFFFAOYSA-N 2 2 329.492 2.126 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629796 1303336377 /nfs/dbraw/zinc/33/63/77/1303336377.db2.gz PYQMYSDZZXXVND-IBGZPJMESA-N 2 2 342.487 2.390 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629796 1303336386 /nfs/dbraw/zinc/33/63/86/1303336386.db2.gz PYQMYSDZZXXVND-IBGZPJMESA-N 2 2 342.487 2.390 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112117029 1304256243 /nfs/dbraw/zinc/25/62/43/1304256243.db2.gz NWWGTDBNSSHHAW-HKUMRIAESA-N 2 2 342.365 2.068 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112117029 1304256244 /nfs/dbraw/zinc/25/62/44/1304256244.db2.gz NWWGTDBNSSHHAW-HKUMRIAESA-N 2 2 342.365 2.068 20 30 EEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959072 1320694650 /nfs/dbraw/zinc/69/46/50/1320694650.db2.gz GDEBTXDIUARBIC-IBGZPJMESA-N 2 2 342.487 2.399 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959072 1320694652 /nfs/dbraw/zinc/69/46/52/1320694652.db2.gz GDEBTXDIUARBIC-IBGZPJMESA-N 2 2 342.487 2.399 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)(COC)CC1 ZINC001162513818 1320883158 /nfs/dbraw/zinc/88/31/58/1320883158.db2.gz VDSLZAZRHCXDMK-QGZVFWFLSA-N 2 2 348.491 2.255 20 30 EEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165835639 1321594781 /nfs/dbraw/zinc/59/47/81/1321594781.db2.gz JGZTZIHOBKHHHW-MRXNPFEDSA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165837399 1321595619 /nfs/dbraw/zinc/59/56/19/1321595619.db2.gz UHKGWTIAAVCBTN-MRXNPFEDSA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676896 1321938689 /nfs/dbraw/zinc/93/86/89/1321938689.db2.gz IIWSLXHIDWTRFL-HUUCEWRRSA-N 2 2 336.867 2.122 20 30 EEEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206956104 1323742576 /nfs/dbraw/zinc/74/25/76/1323742576.db2.gz VRURBVBCABPLTM-IBGZPJMESA-N 2 2 344.503 2.479 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001100349029 1338293856 /nfs/dbraw/zinc/29/38/56/1338293856.db2.gz OULBHCYDYIYVNP-JTTJXQCZSA-N 2 2 345.491 2.241 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001100349029 1338293860 /nfs/dbraw/zinc/29/38/60/1338293860.db2.gz OULBHCYDYIYVNP-JTTJXQCZSA-N 2 2 345.491 2.241 20 30 EEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCCO1 ZINC001200795827 1338626104 /nfs/dbraw/zinc/62/61/04/1338626104.db2.gz OPCXIKLEXZIPGQ-KRWDZBQOSA-N 2 2 348.491 2.100 20 30 EEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001112439375 1367041016 /nfs/dbraw/zinc/04/10/16/1367041016.db2.gz WTOLPLZXNZVEKR-GUXCAODWSA-N 2 2 342.487 2.227 20 30 EEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001112439375 1367041024 /nfs/dbraw/zinc/04/10/24/1367041024.db2.gz WTOLPLZXNZVEKR-GUXCAODWSA-N 2 2 342.487 2.227 20 30 EEEDLP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CCn1cc[nH+]c1 ZINC001393630531 1390502562 /nfs/dbraw/zinc/50/25/62/1390502562.db2.gz RBSPAAKGWMPKRM-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CCn1cc[nH+]c1 ZINC001393630531 1390502564 /nfs/dbraw/zinc/50/25/64/1390502564.db2.gz RBSPAAKGWMPKRM-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP C=C(C)CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCOCC1 ZINC001754738797 1406949215 /nfs/dbraw/zinc/94/92/15/1406949215.db2.gz MHQSHXURAVIZKB-UHFFFAOYSA-N 2 2 342.443 2.169 20 30 EEEDLP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c(F)c1 ZINC001755901579 1407977494 /nfs/dbraw/zinc/97/74/94/1407977494.db2.gz WTRFGUHOOWYGFL-HNNXBMFYSA-N 2 2 342.418 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448690 761359588 /nfs/dbraw/zinc/35/95/88/761359588.db2.gz VTBZNZDACNGYTI-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448690 761359597 /nfs/dbraw/zinc/35/95/97/761359597.db2.gz VTBZNZDACNGYTI-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448690 761359607 /nfs/dbraw/zinc/35/96/07/761359607.db2.gz VTBZNZDACNGYTI-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448690 761359617 /nfs/dbraw/zinc/35/96/17/761359617.db2.gz VTBZNZDACNGYTI-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538276 782653505 /nfs/dbraw/zinc/65/35/05/782653505.db2.gz NEURYMHZPQJJRU-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538276 782653511 /nfs/dbraw/zinc/65/35/11/782653511.db2.gz NEURYMHZPQJJRU-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089660642 774044918 /nfs/dbraw/zinc/04/49/18/774044918.db2.gz MPMHTVUMKYPCPT-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089660642 774044923 /nfs/dbraw/zinc/04/49/23/774044923.db2.gz MPMHTVUMKYPCPT-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964889 775257868 /nfs/dbraw/zinc/25/78/68/775257868.db2.gz POSPWCFZYHTTMO-OAHLLOKOSA-N 2 2 325.884 2.196 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964889 775257876 /nfs/dbraw/zinc/25/78/76/775257876.db2.gz POSPWCFZYHTTMO-OAHLLOKOSA-N 2 2 325.884 2.196 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001027972607 775463361 /nfs/dbraw/zinc/46/33/61/775463361.db2.gz WZQFXHUPRQHPMF-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001027972607 775463373 /nfs/dbraw/zinc/46/33/73/775463373.db2.gz WZQFXHUPRQHPMF-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001027972607 775463380 /nfs/dbraw/zinc/46/33/80/775463380.db2.gz WZQFXHUPRQHPMF-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027972607 775463387 /nfs/dbraw/zinc/46/33/87/775463387.db2.gz WZQFXHUPRQHPMF-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089837246 777483983 /nfs/dbraw/zinc/48/39/83/777483983.db2.gz ACRACCCLMLJCBU-FJIDUMEYSA-N 2 2 348.450 2.140 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089837246 777483988 /nfs/dbraw/zinc/48/39/88/777483988.db2.gz ACRACCCLMLJCBU-FJIDUMEYSA-N 2 2 348.450 2.140 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981856957 778402927 /nfs/dbraw/zinc/40/29/27/778402927.db2.gz RSWJXQYXXZEBSX-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981856957 778402930 /nfs/dbraw/zinc/40/29/30/778402930.db2.gz RSWJXQYXXZEBSX-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135579051 784032314 /nfs/dbraw/zinc/03/23/14/784032314.db2.gz IKPQIKFUAWRNKR-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135579105 784032533 /nfs/dbraw/zinc/03/25/33/784032533.db2.gz ISEOLLRAFJYOGD-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035200445 784040854 /nfs/dbraw/zinc/04/08/54/784040854.db2.gz AKOPUTKQOQULAZ-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035200445 784040863 /nfs/dbraw/zinc/04/08/63/784040863.db2.gz AKOPUTKQOQULAZ-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589804 784062431 /nfs/dbraw/zinc/06/24/31/784062431.db2.gz SHAHGAFEXKGSSV-IRXDYDNUSA-N 2 2 337.508 2.080 20 30 EEEDLP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001098489115 784125627 /nfs/dbraw/zinc/12/56/27/784125627.db2.gz GADOHWRNFXDPFT-KRWDZBQOSA-N 2 2 348.491 2.086 20 30 EEEDLP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001098489115 784125636 /nfs/dbraw/zinc/12/56/36/784125636.db2.gz GADOHWRNFXDPFT-KRWDZBQOSA-N 2 2 348.491 2.086 20 30 EEEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC001035249373 784192211 /nfs/dbraw/zinc/19/22/11/784192211.db2.gz TXPNOXSWHVBFPS-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC001035249373 784192214 /nfs/dbraw/zinc/19/22/14/784192214.db2.gz TXPNOXSWHVBFPS-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561460 787645754 /nfs/dbraw/zinc/64/57/54/787645754.db2.gz KRPBPVZTRVAXFZ-ZHALLVOQSA-N 2 2 328.460 2.218 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561460 787645759 /nfs/dbraw/zinc/64/57/59/787645759.db2.gz KRPBPVZTRVAXFZ-ZHALLVOQSA-N 2 2 328.460 2.218 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991449058 788820530 /nfs/dbraw/zinc/82/05/30/788820530.db2.gz TWPMNIPBKPQMDH-HHXXYDBFSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991449058 788820539 /nfs/dbraw/zinc/82/05/39/788820539.db2.gz TWPMNIPBKPQMDH-HHXXYDBFSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991477176 789032388 /nfs/dbraw/zinc/03/23/88/789032388.db2.gz XGFPAYCMHKKSAH-HHXXYDBFSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991477176 789032392 /nfs/dbraw/zinc/03/23/92/789032392.db2.gz XGFPAYCMHKKSAH-HHXXYDBFSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997186445 789380123 /nfs/dbraw/zinc/38/01/23/789380123.db2.gz KJRFKNWZTYGEJJ-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccccc1 ZINC001032453662 789816682 /nfs/dbraw/zinc/81/66/82/789816682.db2.gz IUZDPVWFGCCTED-LEAZDLGRSA-N 2 2 337.467 2.130 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccccc1 ZINC001032453662 789816689 /nfs/dbraw/zinc/81/66/89/789816689.db2.gz IUZDPVWFGCCTED-LEAZDLGRSA-N 2 2 337.467 2.130 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccccc1 ZINC001032453662 789816696 /nfs/dbraw/zinc/81/66/96/789816696.db2.gz IUZDPVWFGCCTED-LEAZDLGRSA-N 2 2 337.467 2.130 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccccc1 ZINC001032453662 789816702 /nfs/dbraw/zinc/81/67/02/789816702.db2.gz IUZDPVWFGCCTED-LEAZDLGRSA-N 2 2 337.467 2.130 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088975981 791792926 /nfs/dbraw/zinc/79/29/26/791792926.db2.gz AIUBLJOWMWOCQO-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088975981 791792931 /nfs/dbraw/zinc/79/29/31/791792931.db2.gz AIUBLJOWMWOCQO-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001147742751 791939667 /nfs/dbraw/zinc/93/96/67/791939667.db2.gz QRQTVIMWTNMXNS-BZUAXINKSA-N 2 2 328.460 2.402 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001147742751 791939672 /nfs/dbraw/zinc/93/96/72/791939672.db2.gz QRQTVIMWTNMXNS-BZUAXINKSA-N 2 2 328.460 2.402 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001147742751 791939676 /nfs/dbraw/zinc/93/96/76/791939676.db2.gz QRQTVIMWTNMXNS-BZUAXINKSA-N 2 2 328.460 2.402 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001147742751 791939681 /nfs/dbraw/zinc/93/96/81/791939681.db2.gz QRQTVIMWTNMXNS-BZUAXINKSA-N 2 2 328.460 2.402 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304879 793781502 /nfs/dbraw/zinc/78/15/02/793781502.db2.gz PXVUTRUQNSULPG-HBFSDRIKSA-N 2 2 342.487 2.041 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304879 793781509 /nfs/dbraw/zinc/78/15/09/793781509.db2.gz PXVUTRUQNSULPG-HBFSDRIKSA-N 2 2 342.487 2.041 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782897 794983839 /nfs/dbraw/zinc/98/38/39/794983839.db2.gz ROZDCFHGEVGUPR-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782897 794983845 /nfs/dbraw/zinc/98/38/45/794983845.db2.gz ROZDCFHGEVGUPR-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC001093598918 795438927 /nfs/dbraw/zinc/43/89/27/795438927.db2.gz KIVRFZBQRCVKAE-IRXDYDNUSA-N 2 2 349.519 2.127 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450657 796258676 /nfs/dbraw/zinc/25/86/76/796258676.db2.gz YCNAVENCSVEGNX-YVWKXTFCSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450657 796258679 /nfs/dbraw/zinc/25/86/79/796258679.db2.gz YCNAVENCSVEGNX-YVWKXTFCSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882688 796329757 /nfs/dbraw/zinc/32/97/57/796329757.db2.gz PQZNAJLOQMQVDG-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882688 796329762 /nfs/dbraw/zinc/32/97/62/796329762.db2.gz PQZNAJLOQMQVDG-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509792 796337374 /nfs/dbraw/zinc/33/73/74/796337374.db2.gz MBLCFRKMVZXSBY-IDHHARJASA-N 2 2 328.460 2.376 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509792 796337380 /nfs/dbraw/zinc/33/73/80/796337380.db2.gz MBLCFRKMVZXSBY-IDHHARJASA-N 2 2 328.460 2.376 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509912 796338365 /nfs/dbraw/zinc/33/83/65/796338365.db2.gz QLYHENFEBBHDOU-XAUMDUMWSA-N 2 2 340.471 2.214 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509912 796338371 /nfs/dbraw/zinc/33/83/71/796338371.db2.gz QLYHENFEBBHDOU-XAUMDUMWSA-N 2 2 340.471 2.214 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605051 796656583 /nfs/dbraw/zinc/65/65/83/796656583.db2.gz MHFNDLOFKSTXQS-GDBMZVCRSA-N 2 2 330.476 2.111 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605051 796656586 /nfs/dbraw/zinc/65/65/86/796656586.db2.gz MHFNDLOFKSTXQS-GDBMZVCRSA-N 2 2 330.476 2.111 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994215893 797396639 /nfs/dbraw/zinc/39/66/39/797396639.db2.gz YTTUIWWWYVKUOI-DOTOQJQBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994215893 797396647 /nfs/dbraw/zinc/39/66/47/797396647.db2.gz YTTUIWWWYVKUOI-DOTOQJQBSA-N 2 2 339.443 2.426 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001174682235 797831238 /nfs/dbraw/zinc/83/12/38/797831238.db2.gz HFYCUCYQAGTELN-UHFFFAOYSA-N 2 2 344.846 2.062 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001084974545 798589962 /nfs/dbraw/zinc/58/99/62/798589962.db2.gz HNSQGPOBUGKKAS-AOIWGVFYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001084974545 798589963 /nfs/dbraw/zinc/58/99/63/798589963.db2.gz HNSQGPOBUGKKAS-AOIWGVFYSA-N 2 2 342.487 2.335 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177437179 798968161 /nfs/dbraw/zinc/96/81/61/798968161.db2.gz OJRFTKHMZXNHJG-INIZCTEOSA-N 2 2 330.476 2.220 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177437179 798968168 /nfs/dbraw/zinc/96/81/68/798968168.db2.gz OJRFTKHMZXNHJG-INIZCTEOSA-N 2 2 330.476 2.220 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001179902954 800179356 /nfs/dbraw/zinc/17/93/56/800179356.db2.gz UYPGEVUPXGYBIL-UHFFFAOYSA-N 2 2 339.443 2.290 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250008 800287180 /nfs/dbraw/zinc/28/71/80/800287180.db2.gz BEXXDVHKDZAUHX-BZUAXINKSA-N 2 2 330.476 2.416 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250008 800287186 /nfs/dbraw/zinc/28/71/86/800287186.db2.gz BEXXDVHKDZAUHX-BZUAXINKSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CCC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003956715 800618792 /nfs/dbraw/zinc/61/87/92/800618792.db2.gz ZZKCVQZZPUTFLZ-UHFFFAOYSA-N 2 2 325.416 2.038 20 30 EEEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001181467931 800797971 /nfs/dbraw/zinc/79/79/71/800797971.db2.gz IZLAVVMZVDMFGS-FOIQADDNSA-N 2 2 338.455 2.354 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004427713 802029528 /nfs/dbraw/zinc/02/95/28/802029528.db2.gz UTLUNGIPTVRAGT-QGZVFWFLSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004427713 802029536 /nfs/dbraw/zinc/02/95/36/802029536.db2.gz UTLUNGIPTVRAGT-QGZVFWFLSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577517 802402935 /nfs/dbraw/zinc/40/29/35/802402935.db2.gz GWUIFWLLERUZMS-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577517 802402941 /nfs/dbraw/zinc/40/29/41/802402941.db2.gz GWUIFWLLERUZMS-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577517 802402945 /nfs/dbraw/zinc/40/29/45/802402945.db2.gz GWUIFWLLERUZMS-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577517 802402951 /nfs/dbraw/zinc/40/29/51/802402951.db2.gz GWUIFWLLERUZMS-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595739 802448986 /nfs/dbraw/zinc/44/89/86/802448986.db2.gz IHDHFGVRQJMHPL-QGZVFWFLSA-N 2 2 342.487 2.414 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595739 802448989 /nfs/dbraw/zinc/44/89/89/802448989.db2.gz IHDHFGVRQJMHPL-QGZVFWFLSA-N 2 2 342.487 2.414 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863687 1092893374 /nfs/dbraw/zinc/89/33/74/1092893374.db2.gz DBXWAPROWFFYBO-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863687 1092893382 /nfs/dbraw/zinc/89/33/82/1092893382.db2.gz DBXWAPROWFFYBO-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863687 1092893403 /nfs/dbraw/zinc/89/34/03/1092893403.db2.gz DBXWAPROWFFYBO-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863687 1092893410 /nfs/dbraw/zinc/89/34/10/1092893410.db2.gz DBXWAPROWFFYBO-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@@H](C)O1 ZINC000356086191 163328826 /nfs/dbraw/zinc/32/88/26/163328826.db2.gz MUIMMQUMWQRLFH-ZIAGYGMSSA-N 2 2 334.489 2.336 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768011 166327701 /nfs/dbraw/zinc/32/77/01/166327701.db2.gz VFJAFEFWHCHBCY-DNVCBOLYSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768011 166327703 /nfs/dbraw/zinc/32/77/03/166327703.db2.gz VFJAFEFWHCHBCY-DNVCBOLYSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328783983 465127841 /nfs/dbraw/zinc/12/78/41/465127841.db2.gz GQAGXSNCVUOLPK-OWCLPIDISA-N 2 2 333.480 2.244 20 30 EEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328783983 465127846 /nfs/dbraw/zinc/12/78/46/465127846.db2.gz GQAGXSNCVUOLPK-OWCLPIDISA-N 2 2 333.480 2.244 20 30 EEEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337188850 465234583 /nfs/dbraw/zinc/23/45/83/465234583.db2.gz QOGYFSSPDYULOW-RBUKOAKNSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337188850 465234588 /nfs/dbraw/zinc/23/45/88/465234588.db2.gz QOGYFSSPDYULOW-RBUKOAKNSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000337188850 465234593 /nfs/dbraw/zinc/23/45/93/465234593.db2.gz QOGYFSSPDYULOW-RBUKOAKNSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000337188850 465234599 /nfs/dbraw/zinc/23/45/99/465234599.db2.gz QOGYFSSPDYULOW-RBUKOAKNSA-N 2 2 327.472 2.227 20 30 EEEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000491232053 468330290 /nfs/dbraw/zinc/33/02/90/468330290.db2.gz XRPFGLJHDKKNGD-UHFFFAOYSA-N 2 2 333.863 2.034 20 30 EEEDLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135071834 463115532 /nfs/dbraw/zinc/11/55/32/463115532.db2.gz ALDNIRJKDJDKRQ-QGZVFWFLSA-N 2 2 329.444 2.111 20 30 EEEDLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135071834 463115536 /nfs/dbraw/zinc/11/55/36/463115536.db2.gz ALDNIRJKDJDKRQ-QGZVFWFLSA-N 2 2 329.444 2.111 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1[nH+]ccn1CC)C(C)C ZINC000298535300 465424784 /nfs/dbraw/zinc/42/47/84/465424784.db2.gz VNYCFTSYHRNTTN-INIZCTEOSA-N 2 2 333.480 2.401 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277492035 463918819 /nfs/dbraw/zinc/91/88/19/463918819.db2.gz QNYATGSXVWWPJT-UHFFFAOYSA-N 2 2 333.505 2.482 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277492035 463918823 /nfs/dbraw/zinc/91/88/23/463918823.db2.gz QNYATGSXVWWPJT-UHFFFAOYSA-N 2 2 333.505 2.482 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000288322837 464040466 /nfs/dbraw/zinc/04/04/66/464040466.db2.gz JBHGTGPJAINCJM-UHFFFAOYSA-N 2 2 346.866 2.297 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246502663 464593682 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ZJNQYLBFPGHJQK-DLTWYDFYSA-N 2 2 334.464 2.288 20 30 EEEDLP CN(CCC#N)C(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072354 465745238 /nfs/dbraw/zinc/74/52/38/465745238.db2.gz GHVZCOVGFQGVKV-UHFFFAOYSA-N 2 2 331.464 2.137 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072917 465745252 /nfs/dbraw/zinc/74/52/52/465745252.db2.gz HVGMARPZWKPNLR-INIZCTEOSA-N 2 2 331.464 2.136 20 30 EEEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353406878 465862545 /nfs/dbraw/zinc/86/25/45/465862545.db2.gz BDHGFBNFBWYDOF-MOPGFXCFSA-N 2 2 340.471 2.078 20 30 EEEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353406878 465862552 /nfs/dbraw/zinc/86/25/52/465862552.db2.gz BDHGFBNFBWYDOF-MOPGFXCFSA-N 2 2 340.471 2.078 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)cc1 ZINC000493873169 468001106 /nfs/dbraw/zinc/00/11/06/468001106.db2.gz UKJJCUDUORWUQD-VOTSOKGWSA-N 2 2 335.411 2.029 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)cc1 ZINC000493873169 468001107 /nfs/dbraw/zinc/00/11/07/468001107.db2.gz UKJJCUDUORWUQD-VOTSOKGWSA-N 2 2 335.411 2.029 20 30 EEEDLP C#CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000270149348 490713824 /nfs/dbraw/zinc/71/38/24/490713824.db2.gz CNFCFDFMQZHJNA-IBGZPJMESA-N 2 2 335.455 2.083 20 30 EEEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000738335978 578010024 /nfs/dbraw/zinc/01/00/24/578010024.db2.gz XBDYTPSQSPAYCA-FUHWJXTLSA-N 2 2 328.460 2.001 20 30 EEEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000738335978 578010025 /nfs/dbraw/zinc/01/00/25/578010025.db2.gz XBDYTPSQSPAYCA-FUHWJXTLSA-N 2 2 328.460 2.001 20 30 EEEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCC#N)CC[NH+]1Cc1ccccc1 ZINC000738335978 578010026 /nfs/dbraw/zinc/01/00/26/578010026.db2.gz XBDYTPSQSPAYCA-FUHWJXTLSA-N 2 2 328.460 2.001 20 30 EEEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCC#N)CC[NH+]1Cc1ccccc1 ZINC000738335978 578010027 /nfs/dbraw/zinc/01/00/27/578010027.db2.gz XBDYTPSQSPAYCA-FUHWJXTLSA-N 2 2 328.460 2.001 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000730096211 576713773 /nfs/dbraw/zinc/71/37/73/576713773.db2.gz NOJZKJPUYPUYDH-JKSUJKDBSA-N 2 2 331.485 2.099 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000730096211 576713774 /nfs/dbraw/zinc/71/37/74/576713774.db2.gz NOJZKJPUYPUYDH-JKSUJKDBSA-N 2 2 331.485 2.099 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)NCC3CCC3)cc2)CC1 ZINC000771564049 577218061 /nfs/dbraw/zinc/21/80/61/577218061.db2.gz QBSGYSGFRZEBRL-UHFFFAOYSA-N 2 2 345.516 2.037 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021610626 676264353 /nfs/dbraw/zinc/26/43/53/676264353.db2.gz JWGJOBHCXIIBEO-NVXWUHKLSA-N 2 2 329.444 2.132 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021610626 676264355 /nfs/dbraw/zinc/26/43/55/676264355.db2.gz JWGJOBHCXIIBEO-NVXWUHKLSA-N 2 2 329.444 2.132 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000972574239 679332311 /nfs/dbraw/zinc/33/23/11/679332311.db2.gz XOMLPVCRBVLNMX-MJGOQNOKSA-N 2 2 346.475 2.104 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000972574239 679332312 /nfs/dbraw/zinc/33/23/12/679332312.db2.gz XOMLPVCRBVLNMX-MJGOQNOKSA-N 2 2 346.475 2.104 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023554000 679374588 /nfs/dbraw/zinc/37/45/88/679374588.db2.gz DUABFHQASCBPFE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023554000 679374591 /nfs/dbraw/zinc/37/45/91/679374591.db2.gz DUABFHQASCBPFE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001023554000 679374593 /nfs/dbraw/zinc/37/45/93/679374593.db2.gz DUABFHQASCBPFE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001023554000 679374596 /nfs/dbraw/zinc/37/45/96/679374596.db2.gz DUABFHQASCBPFE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000262017208 682851660 /nfs/dbraw/zinc/85/16/60/682851660.db2.gz XZGTWMMHJNHIKH-VQIMIIECSA-N 2 2 346.475 2.104 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001026518897 684713787 /nfs/dbraw/zinc/71/37/87/684713787.db2.gz OYOWKLKKPKSZEE-UHFFFAOYSA-N 2 2 340.855 2.119 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985514540 687083456 /nfs/dbraw/zinc/08/34/56/687083456.db2.gz MAUZZMWTHWWQKK-UHFFFAOYSA-N 2 2 340.855 2.025 20 30 EEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985514540 687083459 /nfs/dbraw/zinc/08/34/59/687083459.db2.gz MAUZZMWTHWWQKK-UHFFFAOYSA-N 2 2 340.855 2.025 20 30 EEEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570057 1188183639 /nfs/dbraw/zinc/18/36/39/1188183639.db2.gz FZKDGTIYYWHGHD-INIZCTEOSA-N 2 2 328.460 2.117 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737269 1188397938 /nfs/dbraw/zinc/39/79/38/1188397938.db2.gz KUKAALHFPPPDRR-HIFRSBDPSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737269 1188397942 /nfs/dbraw/zinc/39/79/42/1188397942.db2.gz KUKAALHFPPPDRR-HIFRSBDPSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579832 1194905438 /nfs/dbraw/zinc/90/54/38/1194905438.db2.gz RAZGLXHFAXVGSQ-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579832 1194905441 /nfs/dbraw/zinc/90/54/41/1194905441.db2.gz RAZGLXHFAXVGSQ-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235014 1199413658 /nfs/dbraw/zinc/41/36/58/1199413658.db2.gz LUWXODZNMGQVOB-QWHCGFSZSA-N 2 2 345.472 2.349 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134616052 1199691665 /nfs/dbraw/zinc/69/16/65/1199691665.db2.gz AMOXCLIZUVTICH-UHFFFAOYSA-N 2 2 339.524 2.308 20 30 EEEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134740992 1199784629 /nfs/dbraw/zinc/78/46/29/1199784629.db2.gz VESQGPLTGZIBJC-KGLIPLIRSA-N 2 2 330.432 2.252 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018315478 1224600295 /nfs/dbraw/zinc/60/02/95/1224600295.db2.gz ZJGVBGOGGFYQIB-CEXWTWQISA-N 2 2 331.504 2.195 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018315478 1224600298 /nfs/dbraw/zinc/60/02/98/1224600298.db2.gz ZJGVBGOGGFYQIB-CEXWTWQISA-N 2 2 331.504 2.195 20 30 EEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133288791 1200699320 /nfs/dbraw/zinc/69/93/20/1200699320.db2.gz KVAPKFBVTDBPRR-IRXDYDNUSA-N 2 2 332.492 2.393 20 30 EEEDLP C#Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001276097986 1205779229 /nfs/dbraw/zinc/77/92/29/1205779229.db2.gz XDECSPAPXSEQGL-NRFANRHFSA-N 2 2 339.483 2.044 20 30 EEEDLP C#Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001276097986 1205779230 /nfs/dbraw/zinc/77/92/30/1205779230.db2.gz XDECSPAPXSEQGL-NRFANRHFSA-N 2 2 339.483 2.044 20 30 EEEDLP C#Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1 ZINC001276097986 1205779231 /nfs/dbraw/zinc/77/92/31/1205779231.db2.gz XDECSPAPXSEQGL-NRFANRHFSA-N 2 2 339.483 2.044 20 30 EEEDLP C#Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1 ZINC001276097986 1205779232 /nfs/dbraw/zinc/77/92/32/1205779232.db2.gz XDECSPAPXSEQGL-NRFANRHFSA-N 2 2 339.483 2.044 20 30 EEEDLP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cnc[nH]4)(C2)CCC3)cc1C#N ZINC001276203988 1205831276 /nfs/dbraw/zinc/83/12/76/1205831276.db2.gz HSAXXDDPMZHTLG-RBUKOAKNSA-N 2 2 338.459 2.345 20 30 EEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001095646400 1205901777 /nfs/dbraw/zinc/90/17/77/1205901777.db2.gz ZYEQBAHLQFUGJL-YVSFHVDLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001095646400 1205901779 /nfs/dbraw/zinc/90/17/79/1205901779.db2.gz ZYEQBAHLQFUGJL-YVSFHVDLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000949352416 1209646412 /nfs/dbraw/zinc/64/64/12/1209646412.db2.gz UDELPNPSIUDOMY-UHFFFAOYSA-N 2 2 346.475 2.002 20 30 EEEDLP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000949483022 1209708519 /nfs/dbraw/zinc/70/85/19/1209708519.db2.gz JWAZQSIZIHLBKS-QGZVFWFLSA-N 2 2 346.475 2.104 20 30 EEEDLP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000949483022 1209708521 /nfs/dbraw/zinc/70/85/21/1209708521.db2.gz JWAZQSIZIHLBKS-QGZVFWFLSA-N 2 2 346.475 2.104 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950534743 1210265335 /nfs/dbraw/zinc/26/53/35/1210265335.db2.gz ZCMZSAKCPAULLK-SFHVURJKSA-N 2 2 331.504 2.053 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950534743 1210265340 /nfs/dbraw/zinc/26/53/40/1210265340.db2.gz ZCMZSAKCPAULLK-SFHVURJKSA-N 2 2 331.504 2.053 20 30 EEEDLP CCCCNC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303905134 1213923676 /nfs/dbraw/zinc/92/36/76/1213923676.db2.gz VJCYLPUHAXFEOD-UHFFFAOYSA-N 2 2 345.535 2.289 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386787 1217584178 /nfs/dbraw/zinc/58/41/78/1217584178.db2.gz RDKHHEZLCDRWRC-HOTGVXAUSA-N 2 2 328.460 2.024 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386787 1217584180 /nfs/dbraw/zinc/58/41/80/1217584180.db2.gz RDKHHEZLCDRWRC-HOTGVXAUSA-N 2 2 328.460 2.024 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963406249 1217603024 /nfs/dbraw/zinc/60/30/24/1217603024.db2.gz OYAGDSMPCJQYLX-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963406249 1217603027 /nfs/dbraw/zinc/60/30/27/1217603027.db2.gz OYAGDSMPCJQYLX-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000963920175 1218126970 /nfs/dbraw/zinc/12/69/70/1218126970.db2.gz NWMYQFKMMIURQY-BHUNQDJPSA-N 2 2 330.476 2.459 20 30 EEEDLP C=CC[NH2+]C1CC2(CC(NC(=O)Cc3cn4cccc(C)c4[nH+]3)C2)C1 ZINC000965438315 1219076327 /nfs/dbraw/zinc/07/63/27/1219076327.db2.gz CYITZVGFFPSAQE-UHFFFAOYSA-N 2 2 338.455 2.388 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1C/C=C/Cl ZINC000968893492 1221651651 /nfs/dbraw/zinc/65/16/51/1221651651.db2.gz LOAANZMMJAQSPH-CFMJQPPZSA-N 2 2 337.895 2.197 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C/Cl ZINC000968893492 1221651653 /nfs/dbraw/zinc/65/16/53/1221651653.db2.gz LOAANZMMJAQSPH-CFMJQPPZSA-N 2 2 337.895 2.197 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1C/C=C/Cl ZINC000968893492 1221651654 /nfs/dbraw/zinc/65/16/54/1221651654.db2.gz LOAANZMMJAQSPH-CFMJQPPZSA-N 2 2 337.895 2.197 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1C/C=C/Cl ZINC000968893492 1221651656 /nfs/dbraw/zinc/65/16/56/1221651656.db2.gz LOAANZMMJAQSPH-CFMJQPPZSA-N 2 2 337.895 2.197 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001008534250 1222911824 /nfs/dbraw/zinc/91/18/24/1222911824.db2.gz WGJYEWUUULNGFS-HUUCEWRRSA-N 2 2 346.500 2.185 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001008534250 1222911828 /nfs/dbraw/zinc/91/18/28/1222911828.db2.gz WGJYEWUUULNGFS-HUUCEWRRSA-N 2 2 346.500 2.185 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008534250 1222911830 /nfs/dbraw/zinc/91/18/30/1222911830.db2.gz WGJYEWUUULNGFS-HUUCEWRRSA-N 2 2 346.500 2.185 20 30 EEEDLP 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CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001235588549 1305289470 /nfs/dbraw/zinc/28/94/70/1305289470.db2.gz LJXVHPAZABJUQZ-PMACEKPBSA-N 2 2 341.499 2.157 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001235588549 1305289474 /nfs/dbraw/zinc/28/94/74/1305289474.db2.gz LJXVHPAZABJUQZ-PMACEKPBSA-N 2 2 341.499 2.157 20 30 EEEDLP N#Cc1ccc(N2CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)CC2)nc1 ZINC001235868891 1305432790 /nfs/dbraw/zinc/43/27/90/1305432790.db2.gz WMMYSBPNAXIGLK-LJQANCHMSA-N 2 2 335.455 2.035 20 30 EEEDLP N#Cc1ccc(N2CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)CC2)nc1 ZINC001235868891 1305432807 /nfs/dbraw/zinc/43/28/07/1305432807.db2.gz WMMYSBPNAXIGLK-LJQANCHMSA-N 2 2 335.455 2.035 20 30 EEEDLP C=CCOCC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752534 1305729085 /nfs/dbraw/zinc/72/90/85/1305729085.db2.gz HIFSVYJDHQKTMI-KRWDZBQOSA-N 2 2 348.491 2.446 20 30 EEEDLP C#CCC[NH2+]C1(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)CCCCC1 ZINC001120214235 1309388214 /nfs/dbraw/zinc/38/82/14/1309388214.db2.gz QZZRJJUHYJKNPF-SFHVURJKSA-N 2 2 342.487 2.116 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001121289457 1309970002 /nfs/dbraw/zinc/97/00/02/1309970002.db2.gz SXDBJMRINYCAIB-UHFFFAOYSA-N 2 2 329.444 2.226 20 30 EEEDLP COc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(C[NH+](C)C)c1O ZINC001139254742 1314722266 /nfs/dbraw/zinc/72/22/66/1314722266.db2.gz CTAFJULNRUQEBS-INIZCTEOSA-N 2 2 348.468 2.237 20 30 EEEDLP COc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(C[NH+](C)C)c1O ZINC001139254742 1314722268 /nfs/dbraw/zinc/72/22/68/1314722268.db2.gz CTAFJULNRUQEBS-INIZCTEOSA-N 2 2 348.468 2.237 20 30 EEEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428786 1317084560 /nfs/dbraw/zinc/08/45/60/1317084560.db2.gz AXMHPCLBZBOKNH-UHFFFAOYSA-N 2 2 342.443 2.356 20 30 EEEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428786 1317084568 /nfs/dbraw/zinc/08/45/68/1317084568.db2.gz AXMHPCLBZBOKNH-UHFFFAOYSA-N 2 2 342.443 2.356 20 30 EEEDLP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001155900420 1317781652 /nfs/dbraw/zinc/78/16/52/1317781652.db2.gz RXLQBFMYQXBOGC-OAHLLOKOSA-N 2 2 348.466 2.366 20 30 EEEDLP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001155900420 1317781655 /nfs/dbraw/zinc/78/16/55/1317781655.db2.gz RXLQBFMYQXBOGC-OAHLLOKOSA-N 2 2 348.466 2.366 20 30 EEEDLP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254659170 1318156935 /nfs/dbraw/zinc/15/69/35/1318156935.db2.gz LNILSZDFDOQDSL-MAUKXSAKSA-N 2 2 333.476 2.418 20 30 EEEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(-c3cccs3)ccc2C#N)CC1 ZINC001157916406 1318928734 /nfs/dbraw/zinc/92/87/34/1318928734.db2.gz WUYNZXBIVPNYIR-UHFFFAOYSA-N 2 2 326.429 2.276 20 30 EEEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001157981718 1318958594 /nfs/dbraw/zinc/95/85/94/1318958594.db2.gz HNHSCRSKZGYZLJ-GOSISDBHSA-N 2 2 342.487 2.098 20 30 EEEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001157981718 1318958598 /nfs/dbraw/zinc/95/85/98/1318958598.db2.gz HNHSCRSKZGYZLJ-GOSISDBHSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158172057 1319057598 /nfs/dbraw/zinc/05/75/98/1319057598.db2.gz WSRMHBVLVBYXDP-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158172057 1319057607 /nfs/dbraw/zinc/05/76/07/1319057607.db2.gz WSRMHBVLVBYXDP-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP N#Cc1ccc(-c2ccncc2)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158267005 1319127185 /nfs/dbraw/zinc/12/71/85/1319127185.db2.gz GVVLUMGGUDJSAZ-QGZVFWFLSA-N 2 2 348.454 2.017 20 30 EEEDLP N#Cc1ccc(-c2ccncc2)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158267005 1319127193 /nfs/dbraw/zinc/12/71/93/1319127193.db2.gz GVVLUMGGUDJSAZ-QGZVFWFLSA-N 2 2 348.454 2.017 20 30 EEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491368 1319267685 /nfs/dbraw/zinc/26/76/85/1319267685.db2.gz PHTAPNLRHIPDDS-BRWVUGGUSA-N 2 2 330.476 2.413 20 30 EEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491368 1319267690 /nfs/dbraw/zinc/26/76/90/1319267690.db2.gz PHTAPNLRHIPDDS-BRWVUGGUSA-N 2 2 330.476 2.413 20 30 EEEDLP N#Cc1cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc(C2C[NH2+]C2)c1 ZINC001159321787 1319736545 /nfs/dbraw/zinc/73/65/45/1319736545.db2.gz RYKIPEAAWUXZMD-UHFFFAOYSA-N 3 2 348.454 2.311 20 30 EEEDLP C[NH+]1CCN(Cc2cccc([NH+]=C(NO)c3ccccc3N)c2)CC1 ZINC001204574226 1322182839 /nfs/dbraw/zinc/18/28/39/1322182839.db2.gz JUPOVMGRZGOATO-UHFFFAOYSA-N 2 2 339.443 2.073 20 30 EEEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500364 1323164725 /nfs/dbraw/zinc/16/47/25/1323164725.db2.gz SFNOAYYRVRFVKV-SFHVURJKSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001206768442 1323585664 /nfs/dbraw/zinc/58/56/64/1323585664.db2.gz FBOIZVMUVBLKOX-UHFFFAOYSA-N 2 2 339.443 2.285 20 30 EEEDLP C=CCCC[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001209164090 1324829568 /nfs/dbraw/zinc/82/95/68/1324829568.db2.gz SIIFGRUAIBGXPI-UHFFFAOYSA-N 3 2 334.552 2.129 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001338926988 1336933212 /nfs/dbraw/zinc/93/32/12/1336933212.db2.gz JLUVJAMQEOVLLY-UHFFFAOYSA-N 2 2 344.507 2.125 20 30 EEEDLP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428828 1338365894 /nfs/dbraw/zinc/36/58/94/1338365894.db2.gz OPHHQDISKQEWTN-ABHNRTSZSA-N 2 2 348.491 2.157 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852188 1374682175 /nfs/dbraw/zinc/68/21/75/1374682175.db2.gz INWHUARZHBXXJJ-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852188 1374682179 /nfs/dbraw/zinc/68/21/79/1374682179.db2.gz INWHUARZHBXXJJ-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852188 1374682184 /nfs/dbraw/zinc/68/21/84/1374682184.db2.gz INWHUARZHBXXJJ-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852188 1374682186 /nfs/dbraw/zinc/68/21/86/1374682186.db2.gz INWHUARZHBXXJJ-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001393880233 1390572857 /nfs/dbraw/zinc/57/28/57/1390572857.db2.gz BDEBFJHLTXIRMA-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001393880233 1390572859 /nfs/dbraw/zinc/57/28/59/1390572859.db2.gz BDEBFJHLTXIRMA-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001393880233 1390572862 /nfs/dbraw/zinc/57/28/62/1390572862.db2.gz BDEBFJHLTXIRMA-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001393880233 1390572864 /nfs/dbraw/zinc/57/28/64/1390572864.db2.gz BDEBFJHLTXIRMA-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001400623612 1396474625 /nfs/dbraw/zinc/47/46/25/1396474625.db2.gz GXKHSTUXUIRVPT-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001400623612 1396474630 /nfs/dbraw/zinc/47/46/30/1396474630.db2.gz GXKHSTUXUIRVPT-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001400623612 1396474634 /nfs/dbraw/zinc/47/46/34/1396474634.db2.gz GXKHSTUXUIRVPT-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001400623612 1396474636 /nfs/dbraw/zinc/47/46/36/1396474636.db2.gz GXKHSTUXUIRVPT-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001755205204 1407219964 /nfs/dbraw/zinc/21/99/64/1407219964.db2.gz QJTSNLAFCPBFEC-RTBURBONSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001755205204 1407219973 /nfs/dbraw/zinc/21/99/73/1407219973.db2.gz QJTSNLAFCPBFEC-RTBURBONSA-N 2 2 342.487 2.247 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000783532302 782575373 /nfs/dbraw/zinc/57/53/73/782575373.db2.gz OYAHJWJECRSLJL-RDJZCZTQSA-N 2 2 328.522 2.220 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424461 769013835 /nfs/dbraw/zinc/01/38/35/769013835.db2.gz VIWVRTBNIGTSAF-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424461 769013848 /nfs/dbraw/zinc/01/38/48/769013848.db2.gz VIWVRTBNIGTSAF-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089487684 769773190 /nfs/dbraw/zinc/77/31/90/769773190.db2.gz MOMWATWGJGHZCX-GJZGRUSLSA-N 2 2 328.460 2.070 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 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C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCCCC1 ZINC001004566583 802383708 /nfs/dbraw/zinc/38/37/08/802383708.db2.gz FCZSRICTSBMYQF-PKOBYXMFSA-N 2 2 346.519 2.477 20 30 EEEDLP C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCCCC1 ZINC001004566583 802383714 /nfs/dbraw/zinc/38/37/14/802383714.db2.gz FCZSRICTSBMYQF-PKOBYXMFSA-N 2 2 346.519 2.477 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001185307226 802452569 /nfs/dbraw/zinc/45/25/69/802452569.db2.gz PGYNXJPJSSKIOW-SJORKVTESA-N 2 2 340.471 2.445 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675519 802791607 /nfs/dbraw/zinc/79/16/07/802791607.db2.gz UOPSAXDIUCBIQY-CALCHBBNSA-N 2 2 336.439 2.142 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675519 802791612 /nfs/dbraw/zinc/79/16/12/802791612.db2.gz UOPSAXDIUCBIQY-CALCHBBNSA-N 2 2 336.439 2.142 20 30 EEEDLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1C#N ZINC001437881220 1090456769 /nfs/dbraw/zinc/45/67/69/1090456769.db2.gz OKBCOKJJKAKDEW-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1C#N ZINC001437881220 1090456773 /nfs/dbraw/zinc/45/67/73/1090456773.db2.gz OKBCOKJJKAKDEW-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001437881220 1090456775 /nfs/dbraw/zinc/45/67/75/1090456775.db2.gz OKBCOKJJKAKDEW-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001437881220 1090456778 /nfs/dbraw/zinc/45/67/78/1090456778.db2.gz OKBCOKJJKAKDEW-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP C#CCC[NH+]1CCC(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000492080300 533046622 /nfs/dbraw/zinc/04/66/22/533046622.db2.gz CPNSLKHQYRUAFB-RMKNXTFCSA-N 2 2 348.450 2.489 20 30 EEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000369544675 166282518 /nfs/dbraw/zinc/28/25/18/166282518.db2.gz 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C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150783749 463427385 /nfs/dbraw/zinc/42/73/85/463427385.db2.gz LFETYJCGKAQXSF-NVXWUHKLSA-N 2 2 326.444 2.303 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000284624682 464267312 /nfs/dbraw/zinc/26/73/12/464267312.db2.gz VTRBQYBFJYCRNC-UHFFFAOYSA-N 2 2 345.406 2.164 20 30 EEEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203553 464737336 /nfs/dbraw/zinc/73/73/36/464737336.db2.gz LNIHODBJPBMHBR-ZWKOTPCHSA-N 3 2 327.476 2.266 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000343171805 465486207 /nfs/dbraw/zinc/48/62/07/465486207.db2.gz IKMGPHFOWPFGNZ-FUHWJXTLSA-N 2 2 330.476 2.260 20 30 EEEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000330017618 465507633 /nfs/dbraw/zinc/50/76/33/465507633.db2.gz RKODBQYEEWHORB-UHFFFAOYSA-N 2 2 342.447 2.179 20 30 EEEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000330017618 465507638 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C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740149 681401041 /nfs/dbraw/zinc/40/10/41/681401041.db2.gz PATFGSBIENFUQD-QGZVFWFLSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740149 681401042 /nfs/dbraw/zinc/40/10/42/681401042.db2.gz PATFGSBIENFUQD-QGZVFWFLSA-N 2 2 339.443 2.428 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024738518 681404744 /nfs/dbraw/zinc/40/47/44/681404744.db2.gz UBXJOYALLRJQKD-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024738518 681404745 /nfs/dbraw/zinc/40/47/45/681404745.db2.gz UBXJOYALLRJQKD-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261948802 682560324 /nfs/dbraw/zinc/56/03/24/682560324.db2.gz GRSIKDARQPFUQU-FUHWJXTLSA-N 3 2 346.523 2.216 20 30 EEEDLP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261948802 682560326 /nfs/dbraw/zinc/56/03/26/682560326.db2.gz GRSIKDARQPFUQU-FUHWJXTLSA-N 3 2 346.523 2.216 20 30 EEEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001027689864 693987016 /nfs/dbraw/zinc/98/70/16/693987016.db2.gz IFBWNHMMQXONBO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001027689864 693987021 /nfs/dbraw/zinc/98/70/21/693987021.db2.gz IFBWNHMMQXONBO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001027689864 693987025 /nfs/dbraw/zinc/98/70/25/693987025.db2.gz IFBWNHMMQXONBO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001027689864 693987030 /nfs/dbraw/zinc/98/70/30/693987030.db2.gz IFBWNHMMQXONBO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027695799 694010579 /nfs/dbraw/zinc/01/05/79/694010579.db2.gz JQDMJDIAGMYOSO-ROUUACIJSA-N 2 2 330.476 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ZINC001034279286 1196040368 /nfs/dbraw/zinc/04/03/68/1196040368.db2.gz QYVHDPDWQBQBDB-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279286 1196040371 /nfs/dbraw/zinc/04/03/71/1196040371.db2.gz QYVHDPDWQBQBDB-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014777992 1224335567 /nfs/dbraw/zinc/33/55/67/1224335567.db2.gz CHYKXFCXGMCHOC-OALUTQOASA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014777992 1224335572 /nfs/dbraw/zinc/33/55/72/1224335572.db2.gz CHYKXFCXGMCHOC-OALUTQOASA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014777992 1224335576 /nfs/dbraw/zinc/33/55/76/1224335576.db2.gz CHYKXFCXGMCHOC-OALUTQOASA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014777992 1224335583 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C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269643 1247952578 /nfs/dbraw/zinc/95/25/78/1247952578.db2.gz ITKKOHJLFODVFI-UXHICEINSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)cc2C1 ZINC001054269643 1247952586 /nfs/dbraw/zinc/95/25/86/1247952586.db2.gz ITKKOHJLFODVFI-UXHICEINSA-N 2 2 337.467 2.269 20 30 EEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712497 1254551508 /nfs/dbraw/zinc/55/15/08/1254551508.db2.gz PDVFUNJGJWLONX-SJLPKXTDSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712497 1254551519 /nfs/dbraw/zinc/55/15/19/1254551519.db2.gz PDVFUNJGJWLONX-SJLPKXTDSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071713109 1254555112 /nfs/dbraw/zinc/55/51/12/1254555112.db2.gz YOFXPTPKECGZPG-SJLPKXTDSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071713109 1254555122 /nfs/dbraw/zinc/55/51/22/1254555122.db2.gz YOFXPTPKECGZPG-SJLPKXTDSA-N 2 2 336.439 2.478 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197492598 1284641920 /nfs/dbraw/zinc/64/19/20/1284641920.db2.gz TWQIGICJZMKWLR-UHFFFAOYSA-N 2 2 345.462 2.053 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197492598 1284641928 /nfs/dbraw/zinc/64/19/28/1284641928.db2.gz TWQIGICJZMKWLR-UHFFFAOYSA-N 2 2 345.462 2.053 20 30 EEEDLP C=CCOCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258778 1285061139 /nfs/dbraw/zinc/06/11/39/1285061139.db2.gz FBSHKVCLJQDEFV-IBGZPJMESA-N 2 2 345.487 2.026 20 30 EEEDLP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258778 1285061147 /nfs/dbraw/zinc/06/11/47/1285061147.db2.gz FBSHKVCLJQDEFV-IBGZPJMESA-N 2 2 345.487 2.026 20 30 EEEDLP C=CCC[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1OC ZINC001198751860 1285338613 /nfs/dbraw/zinc/33/86/13/1285338613.db2.gz JULYHWGMSDLTAX-KRWDZBQOSA-N 2 2 342.443 2.374 20 30 EEEDLP C=CCC[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1OC ZINC001198751860 1285338622 /nfs/dbraw/zinc/33/86/22/1285338622.db2.gz JULYHWGMSDLTAX-KRWDZBQOSA-N 2 2 342.443 2.374 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001110740719 1294028655 /nfs/dbraw/zinc/02/86/55/1294028655.db2.gz AHUUDKLRZGYUAR-VQHPVUNQSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001110740719 1294028660 /nfs/dbraw/zinc/02/86/60/1294028660.db2.gz AHUUDKLRZGYUAR-VQHPVUNQSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001071982930 1295067723 /nfs/dbraw/zinc/06/77/23/1295067723.db2.gz TVZRMKRSOQXCEJ-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001071982930 1295067732 /nfs/dbraw/zinc/06/77/32/1295067732.db2.gz TVZRMKRSOQXCEJ-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP N#Cc1ccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c2cccnc12 ZINC001219467474 1298032297 /nfs/dbraw/zinc/03/22/97/1298032297.db2.gz JFMGDRZXOPOKGW-INIZCTEOSA-N 2 2 331.379 2.317 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659454 1298977651 /nfs/dbraw/zinc/97/76/51/1298977651.db2.gz PHFQTBNGRZARBF-NVXWUHKLSA-N 2 2 348.878 2.193 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659454 1298977653 /nfs/dbraw/zinc/97/76/53/1298977653.db2.gz PHFQTBNGRZARBF-NVXWUHKLSA-N 2 2 348.878 2.193 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227165195 1301718177 /nfs/dbraw/zinc/71/81/77/1301718177.db2.gz KDXHIFDMGAGLDG-KBAYOESNSA-N 2 2 330.476 2.429 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001228150496 1302129492 /nfs/dbraw/zinc/12/94/92/1302129492.db2.gz HWPDYXSDKGRAAK-QRVBRYPASA-N 2 2 349.519 2.223 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001228150496 1302129496 /nfs/dbraw/zinc/12/94/96/1302129496.db2.gz HWPDYXSDKGRAAK-QRVBRYPASA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103163050 1302361234 /nfs/dbraw/zinc/36/12/34/1302361234.db2.gz VKXKUJIBFXZYNB-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103163050 1302361249 /nfs/dbraw/zinc/36/12/49/1302361249.db2.gz VKXKUJIBFXZYNB-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260253 1302606022 /nfs/dbraw/zinc/60/60/22/1302606022.db2.gz IWEOLQDWHHGRKA-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260253 1302606037 /nfs/dbraw/zinc/60/60/37/1302606037.db2.gz IWEOLQDWHHGRKA-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001229108757 1302620236 /nfs/dbraw/zinc/62/02/36/1302620236.db2.gz CXVJHHMMAQBEMD-QZTJIDSGSA-N 2 2 338.455 2.226 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277633899 1304047141 /nfs/dbraw/zinc/04/71/41/1304047141.db2.gz ZQUBSEOECCNRDZ-CALCHBBNSA-N 2 2 332.879 2.422 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277633899 1304047147 /nfs/dbraw/zinc/04/71/47/1304047147.db2.gz ZQUBSEOECCNRDZ-CALCHBBNSA-N 2 2 332.879 2.422 20 30 EEEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001115603367 1305485755 /nfs/dbraw/zinc/48/57/55/1305485755.db2.gz OGAIUZZTEPQIRR-MRXNPFEDSA-N 2 2 330.476 2.430 20 30 EEEDLP C=CCOCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115766114 1305749025 /nfs/dbraw/zinc/74/90/25/1305749025.db2.gz WDKIFTNZBDSOER-MRXNPFEDSA-N 2 2 348.491 2.200 20 30 EEEDLP C=CCOCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115766114 1305749032 /nfs/dbraw/zinc/74/90/32/1305749032.db2.gz WDKIFTNZBDSOER-MRXNPFEDSA-N 2 2 348.491 2.200 20 30 EEEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246024341 1310212425 /nfs/dbraw/zinc/21/24/25/1310212425.db2.gz FGUSJVXQIKNDAQ-OALUTQOASA-N 2 2 325.541 2.468 20 30 EEEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001246024341 1310212438 /nfs/dbraw/zinc/21/24/38/1310212438.db2.gz FGUSJVXQIKNDAQ-OALUTQOASA-N 2 2 325.541 2.468 20 30 EEEDLP O=C(CC[NH2+][C@H]1CC[NH2+]C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246334841 1310282489 /nfs/dbraw/zinc/28/24/89/1310282489.db2.gz SHSUBDSGGLVMFL-FQEVSTJZSA-N 2 2 345.446 2.275 20 30 EEEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001151161921 1316463306 /nfs/dbraw/zinc/46/33/06/1316463306.db2.gz HXXIUPAQWYIOTB-HZPDHXFCSA-N 2 2 346.475 2.077 20 30 EEEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001151161921 1316463310 /nfs/dbraw/zinc/46/33/10/1316463310.db2.gz HXXIUPAQWYIOTB-HZPDHXFCSA-N 2 2 346.475 2.077 20 30 EEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154836517 1317340709 /nfs/dbraw/zinc/34/07/09/1317340709.db2.gz BUOGUTCHDATJEY-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154836517 1317340719 /nfs/dbraw/zinc/34/07/19/1317340719.db2.gz BUOGUTCHDATJEY-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001154836517 1317340728 /nfs/dbraw/zinc/34/07/28/1317340728.db2.gz BUOGUTCHDATJEY-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001154836517 1317340733 /nfs/dbraw/zinc/34/07/33/1317340733.db2.gz BUOGUTCHDATJEY-SJLPKXTDSA-N 2 2 337.508 2.033 20 30 EEEDLP C[NH+]1CCN(C(=[NH2+])NC2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254347171 1318049038 /nfs/dbraw/zinc/04/90/38/1318049038.db2.gz DWHFXZFROYRYOR-UHFFFAOYSA-N 2 2 343.450 2.301 20 30 EEEDLP C[NH+]1CCC(N(c2[nH+]ccc3[nH]cc(C#N)c32)C2CC[NH2+]CC2)CC1 ZINC001158589656 1319323172 /nfs/dbraw/zinc/32/31/72/1319323172.db2.gz VVTSUDCFEULOEY-UHFFFAOYSA-N 3 2 338.459 2.087 20 30 EEEDLP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001160779454 1320266073 /nfs/dbraw/zinc/26/60/73/1320266073.db2.gz ZOAORQOJYZXRTP-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001160779454 1320266077 /nfs/dbraw/zinc/26/60/77/1320266077.db2.gz ZOAORQOJYZXRTP-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001160779454 1320266082 /nfs/dbraw/zinc/26/60/82/1320266082.db2.gz ZOAORQOJYZXRTP-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001160779454 1320266087 /nfs/dbraw/zinc/26/60/87/1320266087.db2.gz ZOAORQOJYZXRTP-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163275095 1321084411 /nfs/dbraw/zinc/08/44/11/1321084411.db2.gz PVXBSQRXJDXNMD-GOSISDBHSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163275095 1321084415 /nfs/dbraw/zinc/08/44/15/1321084415.db2.gz PVXBSQRXJDXNMD-GOSISDBHSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001207761081 1324134467 /nfs/dbraw/zinc/13/44/67/1324134467.db2.gz GKCHIWNSBMMBPF-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001207761081 1324134470 /nfs/dbraw/zinc/13/44/70/1324134470.db2.gz GKCHIWNSBMMBPF-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001207761081 1324134477 /nfs/dbraw/zinc/13/44/77/1324134477.db2.gz GKCHIWNSBMMBPF-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001207761081 1324134480 /nfs/dbraw/zinc/13/44/80/1324134480.db2.gz GKCHIWNSBMMBPF-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP COC(=O)C1(C#N)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208965039 1324740813 /nfs/dbraw/zinc/74/08/13/1324740813.db2.gz VVCUIHRMPIBYNT-GOSISDBHSA-N 2 2 341.455 2.287 20 30 EEEDLP COC(=O)C1(C#N)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208965039 1324740818 /nfs/dbraw/zinc/74/08/18/1324740818.db2.gz VVCUIHRMPIBYNT-GOSISDBHSA-N 2 2 341.455 2.287 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]Cc3cccc(C#N)c3)ccn12 ZINC001317239659 1332148556 /nfs/dbraw/zinc/14/85/56/1332148556.db2.gz CXEPERFTTNEURV-CQSZACIVSA-N 2 2 347.422 2.423 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001340422369 1337180479 /nfs/dbraw/zinc/18/04/79/1337180479.db2.gz SLOUYPJECMLDBJ-DLBZAZTESA-N 2 2 346.523 2.369 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001340422369 1337180482 /nfs/dbraw/zinc/18/04/82/1337180482.db2.gz SLOUYPJECMLDBJ-DLBZAZTESA-N 2 2 346.523 2.369 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135133034 1368051285 /nfs/dbraw/zinc/05/12/85/1368051285.db2.gz WIDHWIQTNHSXTO-OLZOCXBDSA-N 2 2 343.269 2.055 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001377420954 1379227955 /nfs/dbraw/zinc/22/79/55/1379227955.db2.gz YLSVTBSUVWIGLW-GOSISDBHSA-N 2 2 349.906 2.494 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001377420954 1379227959 /nfs/dbraw/zinc/22/79/59/1379227959.db2.gz YLSVTBSUVWIGLW-GOSISDBHSA-N 2 2 349.906 2.494 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001377420954 1379227961 /nfs/dbraw/zinc/22/79/61/1379227961.db2.gz YLSVTBSUVWIGLW-GOSISDBHSA-N 2 2 349.906 2.494 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001377420954 1379227966 /nfs/dbraw/zinc/22/79/66/1379227966.db2.gz YLSVTBSUVWIGLW-GOSISDBHSA-N 2 2 349.906 2.494 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)cc1F ZINC001390865498 1388831684 /nfs/dbraw/zinc/83/16/84/1388831684.db2.gz RGAPWUVWJUWBBB-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C#N)cc1F ZINC001390865498 1388831687 /nfs/dbraw/zinc/83/16/87/1388831687.db2.gz RGAPWUVWJUWBBB-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001390865498 1388831688 /nfs/dbraw/zinc/83/16/88/1388831688.db2.gz RGAPWUVWJUWBBB-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001390865498 1388831689 /nfs/dbraw/zinc/83/16/89/1388831689.db2.gz RGAPWUVWJUWBBB-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001752514804 1406315974 /nfs/dbraw/zinc/31/59/74/1406315974.db2.gz TYMXFBMUIPWACV-SJORKVTESA-N 2 2 330.476 2.192 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001752514804 1406315984 /nfs/dbraw/zinc/31/59/84/1406315984.db2.gz TYMXFBMUIPWACV-SJORKVTESA-N 2 2 330.476 2.192 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC[NH+](C)C ZINC001397000927 1391001100 /nfs/dbraw/zinc/00/11/00/1391001100.db2.gz NVHJYIXONPDNID-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC[NH+](C)C ZINC001397000927 1391001101 /nfs/dbraw/zinc/00/11/01/1391001101.db2.gz NVHJYIXONPDNID-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001422674335 1400116871 /nfs/dbraw/zinc/11/68/71/1400116871.db2.gz MFDWNISJCXBLLP-CQSZACIVSA-N 2 2 326.872 2.476 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001755678729 1407726451 /nfs/dbraw/zinc/72/64/51/1407726451.db2.gz OCFMJENQZWGTHN-HZPDHXFCSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087316415 761609070 /nfs/dbraw/zinc/60/90/70/761609070.db2.gz RFKFOCVMRBKFHG-OLMNPRSZSA-N 2 2 330.476 2.442 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087316415 761609071 /nfs/dbraw/zinc/60/90/71/761609071.db2.gz RFKFOCVMRBKFHG-OLMNPRSZSA-N 2 2 330.476 2.442 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423584 768998293 /nfs/dbraw/zinc/99/82/93/768998293.db2.gz LDZTUFSJALFRHV-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423584 768998301 /nfs/dbraw/zinc/99/83/01/768998301.db2.gz LDZTUFSJALFRHV-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979705593 770910179 /nfs/dbraw/zinc/91/01/79/770910179.db2.gz AHXPIGKVEHYTAI-KSZLIROESA-N 2 2 336.439 2.106 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979705593 770910183 /nfs/dbraw/zinc/91/01/83/770910183.db2.gz AHXPIGKVEHYTAI-KSZLIROESA-N 2 2 336.439 2.106 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124130 782940442 /nfs/dbraw/zinc/94/04/42/782940442.db2.gz XZSWPZWHAAZYCC-OAGGEKHMSA-N 2 2 336.867 2.367 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124130 782940447 /nfs/dbraw/zinc/94/04/47/782940447.db2.gz XZSWPZWHAAZYCC-OAGGEKHMSA-N 2 2 336.867 2.367 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972179 773644543 /nfs/dbraw/zinc/64/45/43/773644543.db2.gz AGGVRSMCRGHUIM-UAGQMJEPSA-N 2 2 336.439 2.417 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972179 773644546 /nfs/dbraw/zinc/64/45/46/773644546.db2.gz AGGVRSMCRGHUIM-UAGQMJEPSA-N 2 2 336.439 2.417 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660764 774046004 /nfs/dbraw/zinc/04/60/04/774046004.db2.gz PTCUQJDPNWZTDD-AEFFLSMTSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660764 774046011 /nfs/dbraw/zinc/04/60/11/774046011.db2.gz PTCUQJDPNWZTDD-AEFFLSMTSA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001098983854 790555581 /nfs/dbraw/zinc/55/55/81/790555581.db2.gz NPMSLBFHOHHKSD-ZOBUZTSGSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001098983854 790555590 /nfs/dbraw/zinc/55/55/90/790555590.db2.gz NPMSLBFHOHHKSD-ZOBUZTSGSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098983854 790555594 /nfs/dbraw/zinc/55/55/94/790555594.db2.gz NPMSLBFHOHHKSD-ZOBUZTSGSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098983854 790555599 /nfs/dbraw/zinc/55/55/99/790555599.db2.gz NPMSLBFHOHHKSD-ZOBUZTSGSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253518 779677685 /nfs/dbraw/zinc/67/76/85/779677685.db2.gz CAWLZCXTIUCOSC-KRWDZBQOSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253518 779677689 /nfs/dbraw/zinc/67/76/89/779677689.db2.gz CAWLZCXTIUCOSC-KRWDZBQOSA-N 2 2 339.911 2.442 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(C#N)ccc1F ZINC001135579049 784032054 /nfs/dbraw/zinc/03/20/54/784032054.db2.gz IKPQIKFUAWRNKR-OLZOCXBDSA-N 2 2 343.406 2.036 20 30 EEEDLP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1(C)C ZINC000996665964 787061121 /nfs/dbraw/zinc/06/11/21/787061121.db2.gz TYXNGVTXNZANKW-INIZCTEOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CC1(C)C ZINC000996665964 787061132 /nfs/dbraw/zinc/06/11/32/787061132.db2.gz TYXNGVTXNZANKW-INIZCTEOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647598 787999720 /nfs/dbraw/zinc/99/97/20/787999720.db2.gz RERDMIUOQZGPOF-QWFCFKBJSA-N 2 2 342.487 2.231 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647598 787999722 /nfs/dbraw/zinc/99/97/22/787999722.db2.gz RERDMIUOQZGPOF-QWFCFKBJSA-N 2 2 342.487 2.231 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001171067768 788321189 /nfs/dbraw/zinc/32/11/89/788321189.db2.gz OZMKMDITUWVENS-HNNXBMFYSA-N 2 2 332.448 2.303 20 30 EEEDLP C=CC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593457 789558662 /nfs/dbraw/zinc/55/86/62/789558662.db2.gz ZQOAMQOYMLHXDV-DLBZAZTESA-N 2 2 346.475 2.008 20 30 EEEDLP C=CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593457 789558665 /nfs/dbraw/zinc/55/86/65/789558665.db2.gz ZQOAMQOYMLHXDV-DLBZAZTESA-N 2 2 346.475 2.008 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050953 791889957 /nfs/dbraw/zinc/88/99/57/791889957.db2.gz KHOSOQHWMLMPCV-OAHLLOKOSA-N 2 2 334.464 2.239 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050953 791889962 /nfs/dbraw/zinc/88/99/62/791889962.db2.gz KHOSOQHWMLMPCV-OAHLLOKOSA-N 2 2 334.464 2.239 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418271 792430836 /nfs/dbraw/zinc/43/08/36/792430836.db2.gz FFRCWVFCDWDHLA-HOTGVXAUSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418271 792430847 /nfs/dbraw/zinc/43/08/47/792430847.db2.gz FFRCWVFCDWDHLA-HOTGVXAUSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418271 792430854 /nfs/dbraw/zinc/43/08/54/792430854.db2.gz FFRCWVFCDWDHLA-HOTGVXAUSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418271 792430861 /nfs/dbraw/zinc/43/08/61/792430861.db2.gz FFRCWVFCDWDHLA-HOTGVXAUSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092161819 793615932 /nfs/dbraw/zinc/61/59/32/793615932.db2.gz YUCGCKZQEWGFPN-XLIONFOSSA-N 2 2 336.439 2.452 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092161819 793615937 /nfs/dbraw/zinc/61/59/37/793615937.db2.gz YUCGCKZQEWGFPN-XLIONFOSSA-N 2 2 336.439 2.452 20 30 EEEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381345 795121232 /nfs/dbraw/zinc/12/12/32/795121232.db2.gz NPAWRTJGVAVSHA-GOSISDBHSA-N 2 2 328.460 2.231 20 30 EEEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381345 795121236 /nfs/dbraw/zinc/12/12/36/795121236.db2.gz NPAWRTJGVAVSHA-GOSISDBHSA-N 2 2 328.460 2.231 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904388 796446608 /nfs/dbraw/zinc/44/66/08/796446608.db2.gz RDOUOSWRVNTUPW-NVXWUHKLSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904388 796446612 /nfs/dbraw/zinc/44/66/12/796446612.db2.gz RDOUOSWRVNTUPW-NVXWUHKLSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904388 796446616 /nfs/dbraw/zinc/44/66/16/796446616.db2.gz RDOUOSWRVNTUPW-NVXWUHKLSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904388 796446620 /nfs/dbraw/zinc/44/66/20/796446620.db2.gz RDOUOSWRVNTUPW-NVXWUHKLSA-N 2 2 345.512 2.215 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993523469 796779560 /nfs/dbraw/zinc/77/95/60/796779560.db2.gz RJMDLZVHMWSVPU-HOCLYGCPSA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993523469 796779567 /nfs/dbraw/zinc/77/95/67/796779567.db2.gz RJMDLZVHMWSVPU-HOCLYGCPSA-N 2 2 334.464 2.285 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C12CCC2 ZINC001078780270 797001030 /nfs/dbraw/zinc/00/10/30/797001030.db2.gz JPRQKFDGTUGSLW-IAGOWNOFSA-N 2 2 337.427 2.084 20 30 EEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173420647 797412149 /nfs/dbraw/zinc/41/21/49/797412149.db2.gz BXFNUFVNIFRGMP-IBGZPJMESA-N 2 2 340.471 2.237 20 30 EEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173420647 797412153 /nfs/dbraw/zinc/41/21/53/797412153.db2.gz BXFNUFVNIFRGMP-IBGZPJMESA-N 2 2 340.471 2.237 20 30 EEEDLP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176830005 798590806 /nfs/dbraw/zinc/59/08/06/798590806.db2.gz XVDWHLJRCXUOKP-ZDUSSCGKSA-N 2 2 343.269 2.056 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001181951738 800973071 /nfs/dbraw/zinc/97/30/71/800973071.db2.gz GRWZXCDGLUHXFG-AKCHCHLHSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001181951738 800973076 /nfs/dbraw/zinc/97/30/76/800973076.db2.gz GRWZXCDGLUHXFG-AKCHCHLHSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669471 801287346 /nfs/dbraw/zinc/28/73/46/801287346.db2.gz QHWXNKXXXWWSPR-YKTARERQSA-N 2 2 330.476 2.174 20 30 EEEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529213 802324080 /nfs/dbraw/zinc/32/40/80/802324080.db2.gz RCIJMZOYIONMFK-RBUKOAKNSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529213 802324087 /nfs/dbraw/zinc/32/40/87/802324087.db2.gz RCIJMZOYIONMFK-RBUKOAKNSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004529213 802324096 /nfs/dbraw/zinc/32/40/96/802324096.db2.gz RCIJMZOYIONMFK-RBUKOAKNSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004529213 802324105 /nfs/dbraw/zinc/32/41/05/802324105.db2.gz RCIJMZOYIONMFK-RBUKOAKNSA-N 2 2 346.519 2.335 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001494917817 1104555002 /nfs/dbraw/zinc/55/50/02/1104555002.db2.gz OEWHKGCDMYLSJE-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001494917817 1104555007 /nfs/dbraw/zinc/55/50/07/1104555007.db2.gz OEWHKGCDMYLSJE-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001494917817 1104555015 /nfs/dbraw/zinc/55/50/15/1104555015.db2.gz OEWHKGCDMYLSJE-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001494917817 1104555024 /nfs/dbraw/zinc/55/50/24/1104555024.db2.gz OEWHKGCDMYLSJE-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1 ZINC000285520409 267163045 /nfs/dbraw/zinc/16/30/45/267163045.db2.gz BEBPTLCLKWDHKW-QGZVFWFLSA-N 2 2 342.487 2.085 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000328606691 465067460 /nfs/dbraw/zinc/06/74/60/465067460.db2.gz KPWZZGWKRRIVBF-ARFHVFGLSA-N 2 2 331.464 2.091 20 30 EEEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000328606691 465067466 /nfs/dbraw/zinc/06/74/66/465067466.db2.gz KPWZZGWKRRIVBF-ARFHVFGLSA-N 2 2 331.464 2.091 20 30 EEEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCn1cc[nH+]c1 ZINC000159743026 463302460 /nfs/dbraw/zinc/30/24/60/463302460.db2.gz KAPRCVYLXZKCPY-UHFFFAOYSA-N 2 2 346.504 2.481 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000124802980 463466943 /nfs/dbraw/zinc/46/69/43/463466943.db2.gz BZFFHLTYQXFHDZ-KRWDZBQOSA-N 2 2 329.444 2.111 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000124802980 463466949 /nfs/dbraw/zinc/46/69/49/463466949.db2.gz BZFFHLTYQXFHDZ-KRWDZBQOSA-N 2 2 329.444 2.111 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966032 463567806 /nfs/dbraw/zinc/56/78/06/463567806.db2.gz KTBLKFGYSHMTRS-ROUUACIJSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966032 463567811 /nfs/dbraw/zinc/56/78/11/463567811.db2.gz KTBLKFGYSHMTRS-ROUUACIJSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072966032 463567814 /nfs/dbraw/zinc/56/78/14/463567814.db2.gz KTBLKFGYSHMTRS-ROUUACIJSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072966032 463567817 /nfs/dbraw/zinc/56/78/17/463567817.db2.gz KTBLKFGYSHMTRS-ROUUACIJSA-N 2 2 334.508 2.335 20 30 EEEDLP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000568767601 468386499 /nfs/dbraw/zinc/38/64/99/468386499.db2.gz SOOFFIILOCHJGX-IBGZPJMESA-N 2 2 330.476 2.492 20 30 EEEDLP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000568767601 468386505 /nfs/dbraw/zinc/38/65/05/468386505.db2.gz SOOFFIILOCHJGX-IBGZPJMESA-N 2 2 330.476 2.492 20 30 EEEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000271918472 464412779 /nfs/dbraw/zinc/41/27/79/464412779.db2.gz ZMUGIJJYNAWXFD-INIZCTEOSA-N 2 2 341.377 2.426 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282003624 464665293 /nfs/dbraw/zinc/66/52/93/464665293.db2.gz NTMBXWLYAJIKNB-UHFFFAOYSA-N 2 2 344.459 2.313 20 30 EEEDLP Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267020424 464906786 /nfs/dbraw/zinc/90/67/86/464906786.db2.gz QVKVJUQMOHAGDF-UHFFFAOYSA-N 2 2 340.427 2.332 20 30 EEEDLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329939961 465480007 /nfs/dbraw/zinc/48/00/07/465480007.db2.gz FWZZXJYWRXMDBX-DOMZBBRYSA-N 2 2 330.436 2.405 20 30 EEEDLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329939961 465480012 /nfs/dbraw/zinc/48/00/12/465480012.db2.gz FWZZXJYWRXMDBX-DOMZBBRYSA-N 2 2 330.436 2.405 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330697800 465766827 /nfs/dbraw/zinc/76/68/27/465766827.db2.gz LAANWGIJAWNJCC-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330697800 465766837 /nfs/dbraw/zinc/76/68/37/465766837.db2.gz LAANWGIJAWNJCC-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000346526787 466109879 /nfs/dbraw/zinc/10/98/79/466109879.db2.gz GDNBEXSPGXKYOC-UHFFFAOYSA-N 2 2 339.443 2.239 20 30 EEEDLP Cc1cc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C#N)c[nH+]1 ZINC000425230010 467089063 /nfs/dbraw/zinc/08/90/63/467089063.db2.gz UKPRVACDRQPRFF-CALCHBBNSA-N 2 2 327.476 2.257 20 30 EEEDLP Cc1cc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C#N)c[nH+]1 ZINC000425230010 467089064 /nfs/dbraw/zinc/08/90/64/467089064.db2.gz UKPRVACDRQPRFF-CALCHBBNSA-N 2 2 327.476 2.257 20 30 EEEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1C ZINC000420291346 467341011 /nfs/dbraw/zinc/34/10/11/467341011.db2.gz NIUCQWMGFRLSHO-UHFFFAOYSA-N 2 2 333.476 2.303 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000591820335 468526815 /nfs/dbraw/zinc/52/68/15/468526815.db2.gz QZPIQALVTBGEJD-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000591820335 468526818 /nfs/dbraw/zinc/52/68/18/468526818.db2.gz QZPIQALVTBGEJD-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP C=CCn1c(CC)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000556932417 468599888 /nfs/dbraw/zinc/59/98/88/468599888.db2.gz CBFJRSQPWYZTJL-UHFFFAOYSA-N 2 2 346.523 2.021 20 30 EEEDLP COc1c(N)[nH+]cnc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594586877 468627946 /nfs/dbraw/zinc/62/79/46/468627946.db2.gz LGZIIEQMFXPEST-UHFFFAOYSA-N 2 2 338.415 2.016 20 30 EEEDLP COc1c(N)nc[nH+]c1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594586877 468627951 /nfs/dbraw/zinc/62/79/51/468627951.db2.gz LGZIIEQMFXPEST-UHFFFAOYSA-N 2 2 338.415 2.016 20 30 EEEDLP N#CC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CC#N)C3)COC2)C1 ZINC000595619823 468925939 /nfs/dbraw/zinc/92/59/39/468925939.db2.gz HDZJJHBZSMMANO-QZTJIDSGSA-N 2 2 330.476 2.254 20 30 EEEDLP N#CC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CC#N)C3)COC2)C1 ZINC000595619823 468925941 /nfs/dbraw/zinc/92/59/41/468925941.db2.gz HDZJJHBZSMMANO-QZTJIDSGSA-N 2 2 330.476 2.254 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N(C)CCCc2[nH+]ccn2CCC)CC1 ZINC000192253250 526916078 /nfs/dbraw/zinc/91/60/78/526916078.db2.gz IHQCUVKKYMQQNH-UHFFFAOYSA-N 2 2 330.476 2.029 20 30 EEEDLP CCc1cccc(NC(=[NH2+])NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000104178608 529176728 /nfs/dbraw/zinc/17/67/28/529176728.db2.gz DIJFGNNONGQDRB-SFHVURJKSA-N 2 2 348.516 2.184 20 30 EEEDLP CC(C)(C#N)CCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000771182055 577611280 /nfs/dbraw/zinc/61/12/80/577611280.db2.gz MWMMKFOMASJDLL-UHFFFAOYSA-N 2 2 344.459 2.486 20 30 EEEDLP CCN(CCO)c1ccc(C=[NH+]NC2=[NH+][C@H]3CCCC[C@@H]3N2)c(C)c1 ZINC000753937701 577796830 /nfs/dbraw/zinc/79/68/30/577796830.db2.gz ZCNJEJUDHXUHGX-ROUUACIJSA-N 2 2 343.475 2.008 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cccc(Cl)c3F)cn2)CC1 ZINC000755674487 577828989 /nfs/dbraw/zinc/82/89/89/577828989.db2.gz VMMSQVHIDFLQKM-UHFFFAOYSA-N 2 2 348.813 2.467 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000748821035 577967508 /nfs/dbraw/zinc/96/75/08/577967508.db2.gz IHDKJEZDTGILQP-HXUWFJFHSA-N 2 2 339.483 2.299 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000748821035 577967509 /nfs/dbraw/zinc/96/75/09/577967509.db2.gz IHDKJEZDTGILQP-HXUWFJFHSA-N 2 2 339.483 2.299 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001023380651 679280424 /nfs/dbraw/zinc/28/04/24/679280424.db2.gz DVKKSIAOIZAQEK-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001023380651 679280426 /nfs/dbraw/zinc/28/04/26/679280426.db2.gz DVKKSIAOIZAQEK-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380651 679280428 /nfs/dbraw/zinc/28/04/28/679280428.db2.gz DVKKSIAOIZAQEK-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380651 679280430 /nfs/dbraw/zinc/28/04/30/679280430.db2.gz DVKKSIAOIZAQEK-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000972574237 679332408 /nfs/dbraw/zinc/33/24/08/679332408.db2.gz XOMLPVCRBVLNMX-HKUYNNGSSA-N 2 2 346.475 2.104 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC000992733947 683319859 /nfs/dbraw/zinc/31/98/59/683319859.db2.gz ZYOGZBQNOUYQCA-HYVNUMGLSA-N 2 2 329.444 2.035 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)CCC[C@H]12 ZINC000990812656 693895985 /nfs/dbraw/zinc/89/59/85/693895985.db2.gz DQWLYDFVPCYHPP-JENIJYKNSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@H]12 ZINC000990812656 693895991 /nfs/dbraw/zinc/89/59/91/693895991.db2.gz DQWLYDFVPCYHPP-JENIJYKNSA-N 2 2 343.475 2.089 20 30 EEEDLP 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QOBVDNZGZIHMFU-GOOCMWNKSA-N 2 2 336.867 2.217 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001039437405 1230609368 /nfs/dbraw/zinc/60/93/68/1230609368.db2.gz JNAYMFOYEFESDL-CVEARBPZSA-N 2 2 344.459 2.135 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001039437405 1230609370 /nfs/dbraw/zinc/60/93/70/1230609370.db2.gz JNAYMFOYEFESDL-CVEARBPZSA-N 2 2 344.459 2.135 20 30 EEEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040404433 1231210921 /nfs/dbraw/zinc/21/09/21/1231210921.db2.gz WSRUGWWGMMCFTM-HLIPFELVSA-N 2 2 342.487 2.414 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040404433 1231210925 /nfs/dbraw/zinc/21/09/25/1231210925.db2.gz WSRUGWWGMMCFTM-HLIPFELVSA-N 2 2 342.487 2.414 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC001040740150 1231354662 /nfs/dbraw/zinc/35/46/62/1231354662.db2.gz FYVBUDUPUHFQII-UHFFFAOYSA-N 2 2 330.476 2.427 20 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C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001047264716 1235776448 /nfs/dbraw/zinc/77/64/48/1235776448.db2.gz MPODLVANAGCKKS-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCCCC(=O)NCCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001096256886 1236760144 /nfs/dbraw/zinc/76/01/44/1236760144.db2.gz SYFMGEAWNHYDSC-UHFFFAOYSA-N 2 2 345.491 2.078 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049546361 1241346508 /nfs/dbraw/zinc/34/65/08/1241346508.db2.gz PURGZKUZWMMBLZ-IRXDYDNUSA-N 2 2 328.460 2.015 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049546361 1241346521 /nfs/dbraw/zinc/34/65/21/1241346521.db2.gz PURGZKUZWMMBLZ-IRXDYDNUSA-N 2 2 328.460 2.015 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049722996 1241996998 /nfs/dbraw/zinc/99/69/98/1241996998.db2.gz MREDCSISGIMJGZ-ARFHVFGLSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C 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/nfs/dbraw/zinc/36/37/63/1245363763.db2.gz YMUABLGWGWLOQM-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001052839582 1245363769 /nfs/dbraw/zinc/36/37/69/1245363769.db2.gz YMUABLGWGWLOQM-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871537 1245419253 /nfs/dbraw/zinc/41/92/53/1245419253.db2.gz JTJKPFOOSXRCEZ-AWEZNQCLSA-N 2 2 336.867 2.484 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871537 1245419258 /nfs/dbraw/zinc/41/92/58/1245419258.db2.gz JTJKPFOOSXRCEZ-AWEZNQCLSA-N 2 2 336.867 2.484 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444928 1245837263 /nfs/dbraw/zinc/83/72/63/1245837263.db2.gz ROAZGUQCOMAPKE-GMBSWORKSA-N 2 2 330.476 2.396 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444928 1245837276 /nfs/dbraw/zinc/83/72/76/1245837276.db2.gz ROAZGUQCOMAPKE-GMBSWORKSA-N 2 2 330.476 2.396 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001101579745 1245985096 /nfs/dbraw/zinc/98/50/96/1245985096.db2.gz UQBGMIWWMMWJLC-MRXNPFEDSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593459 1258239925 /nfs/dbraw/zinc/23/99/25/1258239925.db2.gz ZQOAMQOYMLHXDV-IRXDYDNUSA-N 2 2 346.475 2.008 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593459 1258239928 /nfs/dbraw/zinc/23/99/28/1258239928.db2.gz ZQOAMQOYMLHXDV-IRXDYDNUSA-N 2 2 346.475 2.008 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196970733 1284362251 /nfs/dbraw/zinc/36/22/51/1284362251.db2.gz SZUYMCRAMUOIEB-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001196970733 1284362261 /nfs/dbraw/zinc/36/22/61/1284362261.db2.gz SZUYMCRAMUOIEB-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001071981653 1295065035 /nfs/dbraw/zinc/06/50/35/1295065035.db2.gz JXUPBVDAYVLZTL-CABCVRRESA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001071981653 1295065041 /nfs/dbraw/zinc/06/50/41/1295065041.db2.gz JXUPBVDAYVLZTL-CABCVRRESA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001101552974 1299686785 /nfs/dbraw/zinc/68/67/85/1299686785.db2.gz WHEUCUUSZQYQBF-MRXNPFEDSA-N 2 2 344.503 2.486 20 30 EEEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073374 1300243548 /nfs/dbraw/zinc/24/35/48/1300243548.db2.gz VLWFZLRMXGFKLV-KURKYZTESA-N 2 2 330.476 2.178 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073374 1300243555 /nfs/dbraw/zinc/24/35/55/1300243555.db2.gz VLWFZLRMXGFKLV-KURKYZTESA-N 2 2 330.476 2.178 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001228075093 1302088621 /nfs/dbraw/zinc/08/86/21/1302088621.db2.gz NOQHHWBIBOOIGZ-CVEARBPZSA-N 2 2 330.476 2.381 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103140206 1302302060 /nfs/dbraw/zinc/30/20/60/1302302060.db2.gz RWUZUKKQIDKAIG-NVXWUHKLSA-N 2 2 330.476 2.024 20 30 EEEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103140206 1302302070 /nfs/dbraw/zinc/30/20/70/1302302070.db2.gz RWUZUKKQIDKAIG-NVXWUHKLSA-N 2 2 330.476 2.024 20 30 EEEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001104194379 1303636227 /nfs/dbraw/zinc/63/62/27/1303636227.db2.gz CDHLIQZVZMUHST-CRAIPNDOSA-N 2 2 338.455 2.354 20 30 EEEDLP COC(=O)[C@H]1C[N@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1[NH3+] ZINC001236416390 1305573984 /nfs/dbraw/zinc/57/39/84/1305573984.db2.gz TVXCENYLNYRMFO-SFTDATJTSA-N 2 2 348.446 2.409 20 30 EEEDLP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1[NH3+] ZINC001236416390 1305573990 /nfs/dbraw/zinc/57/39/90/1305573990.db2.gz TVXCENYLNYRMFO-SFTDATJTSA-N 2 2 348.446 2.409 20 30 EEEDLP N#Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001237461662 1305944167 /nfs/dbraw/zinc/94/41/67/1305944167.db2.gz DWTQWIAOLXFMQG-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001237461662 1305944172 /nfs/dbraw/zinc/94/41/72/1305944172.db2.gz DWTQWIAOLXFMQG-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001237461662 1305944176 /nfs/dbraw/zinc/94/41/76/1305944176.db2.gz DWTQWIAOLXFMQG-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001237461662 1305944181 /nfs/dbraw/zinc/94/41/81/1305944181.db2.gz DWTQWIAOLXFMQG-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP COc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)ccc1C#N ZINC001238408094 1308857032 /nfs/dbraw/zinc/85/70/32/1308857032.db2.gz QYKIKOLRTSTUPZ-UHFFFAOYSA-N 2 2 328.416 2.197 20 30 EEEDLP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053082 1316140397 /nfs/dbraw/zinc/14/03/97/1316140397.db2.gz CZNBWLGERXGKDV-SFHVURJKSA-N 2 2 348.491 2.227 20 30 EEEDLP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053082 1316140400 /nfs/dbraw/zinc/14/04/00/1316140400.db2.gz CZNBWLGERXGKDV-SFHVURJKSA-N 2 2 348.491 2.227 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150298964 1316229003 /nfs/dbraw/zinc/22/90/03/1316229003.db2.gz LDPVLUYYFJCZGI-HOTGVXAUSA-N 2 2 345.915 2.066 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150298964 1316228999 /nfs/dbraw/zinc/22/89/99/1316228999.db2.gz LDPVLUYYFJCZGI-HOTGVXAUSA-N 2 2 345.915 2.066 20 30 EEEDLP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254659172 1318156654 /nfs/dbraw/zinc/15/66/54/1318156654.db2.gz LNILSZDFDOQDSL-YJBOKZPZSA-N 2 2 333.476 2.418 20 30 EEEDLP N#Cc1ccc(-c2ccncc2)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158267004 1319127554 /nfs/dbraw/zinc/12/75/54/1319127554.db2.gz GVVLUMGGUDJSAZ-KRWDZBQOSA-N 2 2 348.454 2.017 20 30 EEEDLP N#Cc1ccc(-c2ccncc2)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158267004 1319127561 /nfs/dbraw/zinc/12/75/61/1319127561.db2.gz GVVLUMGGUDJSAZ-KRWDZBQOSA-N 2 2 348.454 2.017 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001205344857 1322354380 /nfs/dbraw/zinc/35/43/80/1322354380.db2.gz HXQQWFNWTUFISW-UHFFFAOYSA-N 2 2 330.476 2.166 20 30 EEEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387329 1324468114 /nfs/dbraw/zinc/46/81/14/1324468114.db2.gz QRNKYXFITFPRLA-ROUUACIJSA-N 2 2 348.491 2.254 20 30 EEEDLP C#CCCC[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209268003 1324877912 /nfs/dbraw/zinc/87/79/12/1324877912.db2.gz PFRGKMCFYJTGQE-MRXNPFEDSA-N 2 2 335.492 2.463 20 30 EEEDLP C#CCCC[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209268003 1324877918 /nfs/dbraw/zinc/87/79/18/1324877918.db2.gz PFRGKMCFYJTGQE-MRXNPFEDSA-N 2 2 335.492 2.463 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001340389672 1337174205 /nfs/dbraw/zinc/17/42/05/1337174205.db2.gz HUKRHQPWJWJLBA-QGZVFWFLSA-N 2 2 346.523 2.399 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001340389672 1337174209 /nfs/dbraw/zinc/17/42/09/1337174209.db2.gz HUKRHQPWJWJLBA-QGZVFWFLSA-N 2 2 346.523 2.399 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001376534879 1378581745 /nfs/dbraw/zinc/58/17/45/1378581745.db2.gz XNGFUAVPOCLFLE-JKSUJKDBSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001376534879 1378581749 /nfs/dbraw/zinc/58/17/49/1378581749.db2.gz XNGFUAVPOCLFLE-JKSUJKDBSA-N 2 2 336.867 2.339 20 30 EEEDLP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001398228269 1391928579 /nfs/dbraw/zinc/92/85/79/1391928579.db2.gz IPNCRKDGPGJISO-CQSZACIVSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001398228269 1391928594 /nfs/dbraw/zinc/92/85/94/1391928594.db2.gz IPNCRKDGPGJISO-CQSZACIVSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001398228269 1391928617 /nfs/dbraw/zinc/92/86/17/1391928617.db2.gz IPNCRKDGPGJISO-CQSZACIVSA-N 2 2 346.500 2.185 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001753051859 1406640069 /nfs/dbraw/zinc/64/00/69/1406640069.db2.gz QXMOUWSOSCFBKM-YJBOKZPZSA-N 2 2 331.435 2.032 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001753051859 1406640077 /nfs/dbraw/zinc/64/00/77/1406640077.db2.gz QXMOUWSOSCFBKM-YJBOKZPZSA-N 2 2 331.435 2.032 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001753051859 1406640090 /nfs/dbraw/zinc/64/00/90/1406640090.db2.gz QXMOUWSOSCFBKM-YJBOKZPZSA-N 2 2 331.435 2.032 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001753051859 1406640100 /nfs/dbraw/zinc/64/01/00/1406640100.db2.gz QXMOUWSOSCFBKM-YJBOKZPZSA-N 2 2 331.435 2.032 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCCC1 ZINC001402135504 1397786155 /nfs/dbraw/zinc/78/61/55/1397786155.db2.gz QXDFRHXUMYEAMP-INIZCTEOSA-N 2 2 338.883 2.370 20 30 EEEDLP C=CCOCC[N@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755889180 1407953015 /nfs/dbraw/zinc/95/30/15/1407953015.db2.gz ZNLUKEGHOSCGDI-UHFFFAOYSA-N 2 2 340.427 2.127 20 30 EEEDLP C=CCOCC[N@@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755889180 1407953019 /nfs/dbraw/zinc/95/30/19/1407953019.db2.gz ZNLUKEGHOSCGDI-UHFFFAOYSA-N 2 2 340.427 2.127 20 30 EEEDLP CC#CC[NH2+]CC1(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001167601047 760689520 /nfs/dbraw/zinc/68/95/20/760689520.db2.gz FQQVDZNGQMQANS-UHFFFAOYSA-N 2 2 336.439 2.385 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318220 761616926 /nfs/dbraw/zinc/61/69/26/761616926.db2.gz SWLSCBZALWICPA-OIISXLGYSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318220 761616930 /nfs/dbraw/zinc/61/69/30/761616930.db2.gz SWLSCBZALWICPA-OIISXLGYSA-N 2 2 339.911 2.440 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419390 768948314 /nfs/dbraw/zinc/94/83/14/768948314.db2.gz FNELCKGDAOTEKN-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419390 768948318 /nfs/dbraw/zinc/94/83/18/768948318.db2.gz FNELCKGDAOTEKN-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424525 769013633 /nfs/dbraw/zinc/01/36/33/769013633.db2.gz WJPHEGIQMCUTGC-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424525 769013643 /nfs/dbraw/zinc/01/36/43/769013643.db2.gz WJPHEGIQMCUTGC-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC000979705591 770910367 /nfs/dbraw/zinc/91/03/67/770910367.db2.gz AHXPIGKVEHYTAI-BZSNNMDCSA-N 2 2 336.439 2.106 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC000979705591 770910374 /nfs/dbraw/zinc/91/03/74/770910374.db2.gz AHXPIGKVEHYTAI-BZSNNMDCSA-N 2 2 336.439 2.106 20 30 EEEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089814014 776305111 /nfs/dbraw/zinc/30/51/11/776305111.db2.gz BXVHIGKUYUIJDT-MANSERQUSA-N 2 2 348.450 2.058 20 30 EEEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089814014 776305122 /nfs/dbraw/zinc/30/51/22/776305122.db2.gz BXVHIGKUYUIJDT-MANSERQUSA-N 2 2 348.450 2.058 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103591 776542108 /nfs/dbraw/zinc/54/21/08/776542108.db2.gz VXERJMGXMJDFIC-HOTGVXAUSA-N 2 2 330.476 2.355 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103589 776542141 /nfs/dbraw/zinc/54/21/41/776542141.db2.gz VXERJMGXMJDFIC-CVEARBPZSA-N 2 2 330.476 2.355 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981169011 776661815 /nfs/dbraw/zinc/66/18/15/776661815.db2.gz XVWDOFNIPVJFOW-HUUCEWRRSA-N 2 2 337.851 2.402 20 30 EEEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000982306824 779662798 /nfs/dbraw/zinc/66/27/98/779662798.db2.gz ZDPJTTGJGIXPPU-BGYRXZFFSA-N 2 2 336.439 2.370 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737660 783831644 /nfs/dbraw/zinc/83/16/44/783831644.db2.gz SNEUNHXHTHCYMZ-SOUVJXGZSA-N 2 2 336.867 2.073 20 30 EEEDLP C#CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001005791992 783839530 /nfs/dbraw/zinc/83/95/30/783839530.db2.gz ZYTMYWLDXTXXEJ-UHFFFAOYSA-N 2 2 336.439 2.432 20 30 EEEDLP C=CCc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000817909416 785061522 /nfs/dbraw/zinc/06/15/22/785061522.db2.gz QKUSSKQBDWQZTJ-RTBURBONSA-N 2 2 346.471 2.289 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035793000 785140810 /nfs/dbraw/zinc/14/08/10/785140810.db2.gz BRMLJVVLQFJBNG-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089898535 788678573 /nfs/dbraw/zinc/67/85/73/788678573.db2.gz YDXORJIFCKSVDZ-HWMZRRJGSA-N 2 2 348.878 2.182 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089898535 788678582 /nfs/dbraw/zinc/67/85/82/788678582.db2.gz YDXORJIFCKSVDZ-HWMZRRJGSA-N 2 2 348.878 2.182 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000923282860 789295231 /nfs/dbraw/zinc/29/52/31/789295231.db2.gz UVJGOYWGXZNNAA-NXHRZFHOSA-N 2 2 348.487 2.365 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000923282860 789295235 /nfs/dbraw/zinc/29/52/35/789295235.db2.gz UVJGOYWGXZNNAA-NXHRZFHOSA-N 2 2 348.487 2.365 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC000992397107 793951815 /nfs/dbraw/zinc/95/18/15/793951815.db2.gz NMKJHQJHUQQPTA-QUCCMNQESA-N 2 2 349.438 2.017 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC000992397107 793951820 /nfs/dbraw/zinc/95/18/20/793951820.db2.gz NMKJHQJHUQQPTA-QUCCMNQESA-N 2 2 349.438 2.017 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919113 794437498 /nfs/dbraw/zinc/43/74/98/794437498.db2.gz ZUYHCUGBMFIYFD-IUODEOHRSA-N 2 2 339.867 2.391 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919113 794437506 /nfs/dbraw/zinc/43/75/06/794437506.db2.gz ZUYHCUGBMFIYFD-IUODEOHRSA-N 2 2 339.867 2.391 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000992672953 795073752 /nfs/dbraw/zinc/07/37/52/795073752.db2.gz VVFFMTRMKYBKQT-RBSFLKMASA-N 2 2 336.867 2.312 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340163 795418183 /nfs/dbraw/zinc/41/81/83/795418183.db2.gz NSSVVJYWQRQROI-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993635586 796857281 /nfs/dbraw/zinc/85/72/81/796857281.db2.gz OCFZOADVWYWFGJ-VQIMIIECSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993635586 796857285 /nfs/dbraw/zinc/85/72/85/796857285.db2.gz OCFZOADVWYWFGJ-VQIMIIECSA-N 2 2 336.439 2.478 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001094924910 797020312 /nfs/dbraw/zinc/02/03/12/797020312.db2.gz RPJGYZWLTYYDRO-BQFCYCMXSA-N 2 2 342.487 2.307 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108039709 797145453 /nfs/dbraw/zinc/14/54/53/797145453.db2.gz FFWKSGFJOFESAU-IBGZPJMESA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108039709 797145458 /nfs/dbraw/zinc/14/54/58/797145458.db2.gz FFWKSGFJOFESAU-IBGZPJMESA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162217 798783188 /nfs/dbraw/zinc/78/31/88/798783188.db2.gz JQRUWMKJSWXMEL-OALUTQOASA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162217 798783189 /nfs/dbraw/zinc/78/31/89/798783189.db2.gz JQRUWMKJSWXMEL-OALUTQOASA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767961 801343771 /nfs/dbraw/zinc/34/37/71/801343771.db2.gz TULYQBVWSKQWHI-ZHALLVOQSA-N 2 2 348.491 2.111 20 30 EEEDLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001183629811 801685905 /nfs/dbraw/zinc/68/59/05/801685905.db2.gz QRWISSWRSRUBSA-GOSISDBHSA-N 2 2 344.418 2.419 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433822 805456941 /nfs/dbraw/zinc/45/69/41/805456941.db2.gz ZLBREIAUBSUBQA-VSZNYVQBSA-N 2 2 328.460 2.215 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433822 805456948 /nfs/dbraw/zinc/45/69/48/805456948.db2.gz ZLBREIAUBSUBQA-VSZNYVQBSA-N 2 2 328.460 2.215 20 30 EEEDLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001436687208 1088142374 /nfs/dbraw/zinc/14/23/74/1088142374.db2.gz FHKYBAWMWQPLFS-GOSISDBHSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001436687208 1088142380 /nfs/dbraw/zinc/14/23/80/1088142380.db2.gz FHKYBAWMWQPLFS-GOSISDBHSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[C@H](C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1)[NH+](C)C ZINC001443018257 1097429670 /nfs/dbraw/zinc/42/96/70/1097429670.db2.gz QLHMRXAYLILGHO-GOSISDBHSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@H](C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1)[NH+](C)C ZINC001443018257 1097429672 /nfs/dbraw/zinc/42/96/72/1097429672.db2.gz QLHMRXAYLILGHO-GOSISDBHSA-N 2 2 346.450 2.118 20 30 EEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000375891983 167220629 /nfs/dbraw/zinc/22/06/29/167220629.db2.gz SOZNEXVVYJPCDI-LJQANCHMSA-N 2 2 330.451 2.298 20 30 EEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000375891983 167220630 /nfs/dbraw/zinc/22/06/30/167220630.db2.gz SOZNEXVVYJPCDI-LJQANCHMSA-N 2 2 330.451 2.298 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(Nc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000425218824 267332254 /nfs/dbraw/zinc/33/22/54/267332254.db2.gz FWSUNKAUBMOFDX-UHFFFAOYSA-N 2 2 343.431 2.437 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684603 269008328 /nfs/dbraw/zinc/00/83/28/269008328.db2.gz WAHSFSHHHLHWDC-QFBILLFUSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684603 269008332 /nfs/dbraw/zinc/00/83/32/269008332.db2.gz WAHSFSHHHLHWDC-QFBILLFUSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684603 269008333 /nfs/dbraw/zinc/00/83/33/269008333.db2.gz WAHSFSHHHLHWDC-QFBILLFUSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684603 269008336 /nfs/dbraw/zinc/00/83/36/269008336.db2.gz WAHSFSHHHLHWDC-QFBILLFUSA-N 2 2 335.455 2.485 20 30 EEEDLP CC(C)(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000567464586 319381908 /nfs/dbraw/zinc/38/19/08/319381908.db2.gz YHTDHWSPFVNUND-UHFFFAOYSA-N 2 2 349.500 2.184 20 30 EEEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)[C@H]2C1 ZINC000329584445 465378645 /nfs/dbraw/zinc/37/86/45/465378645.db2.gz XUFRZLDAHVCSSY-DOMZBBRYSA-N 2 2 347.850 2.428 20 30 EEEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)[C@H]2C1 ZINC000329584445 465378652 /nfs/dbraw/zinc/37/86/52/465378652.db2.gz XUFRZLDAHVCSSY-DOMZBBRYSA-N 2 2 347.850 2.428 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000536069252 468340979 /nfs/dbraw/zinc/34/09/79/468340979.db2.gz XWKXPQPRWXHUSC-CYBMUJFWSA-N 2 2 343.818 2.373 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000536069252 468340986 /nfs/dbraw/zinc/34/09/86/468340986.db2.gz XWKXPQPRWXHUSC-CYBMUJFWSA-N 2 2 343.818 2.373 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000158997678 463263043 /nfs/dbraw/zinc/26/30/43/463263043.db2.gz GMOQQGIOGLQZTD-IRXDYDNUSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000158997678 463263048 /nfs/dbraw/zinc/26/30/48/463263048.db2.gz GMOQQGIOGLQZTD-IRXDYDNUSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1(C#N)CCCCC1 ZINC000158997678 463263054 /nfs/dbraw/zinc/26/30/54/463263054.db2.gz GMOQQGIOGLQZTD-IRXDYDNUSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1(C#N)CCCCC1 ZINC000158997678 463263058 /nfs/dbraw/zinc/26/30/58/463263058.db2.gz GMOQQGIOGLQZTD-IRXDYDNUSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+](Cc1ccc(C#N)cc1)CC(O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000194392238 463851828 /nfs/dbraw/zinc/85/18/28/463851828.db2.gz NEYAYWFJYHTHNB-UHFFFAOYSA-N 2 2 348.450 2.355 20 30 EEEDLP C[NH+](Cc1ccc(C#N)cc1)CC(O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000194392238 463851835 /nfs/dbraw/zinc/85/18/35/463851835.db2.gz NEYAYWFJYHTHNB-UHFFFAOYSA-N 2 2 348.450 2.355 20 30 EEEDLP CC[NH+]=C(NCc1ccn(C)c1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261972149 463915019 /nfs/dbraw/zinc/91/50/19/463915019.db2.gz NBSFEBBESUNVFW-DOTOQJQBSA-N 2 2 328.464 2.270 20 30 EEEDLP C#CCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000271071684 464277612 /nfs/dbraw/zinc/27/76/12/464277612.db2.gz VVGMUWMFFBHNBV-IBGZPJMESA-N 2 2 326.488 2.329 20 30 EEEDLP C#CCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000271071684 464277616 /nfs/dbraw/zinc/27/76/16/464277616.db2.gz VVGMUWMFFBHNBV-IBGZPJMESA-N 2 2 326.488 2.329 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264068781 464279799 /nfs/dbraw/zinc/27/97/99/464279799.db2.gz CNQFWSBTXHGNBQ-HNNXBMFYSA-N 2 2 332.473 2.464 20 30 EEEDLP COc1ccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)cc1OC ZINC000264124008 464284861 /nfs/dbraw/zinc/28/48/61/464284861.db2.gz RSMOHZRIVHQBHM-INIZCTEOSA-N 2 2 348.491 2.353 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000264454329 464333087 /nfs/dbraw/zinc/33/30/87/464333087.db2.gz ZKWZLJYMESASHR-UHFFFAOYSA-N 2 2 327.432 2.092 20 30 EEEDLP CC#CC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000292973828 464379239 /nfs/dbraw/zinc/37/92/39/464379239.db2.gz AUZBNTQEWKDLGJ-UHFFFAOYSA-N 2 2 331.485 2.129 20 30 EEEDLP CC#CC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000292973828 464379244 /nfs/dbraw/zinc/37/92/44/464379244.db2.gz AUZBNTQEWKDLGJ-UHFFFAOYSA-N 2 2 331.485 2.129 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245845977 464519505 /nfs/dbraw/zinc/51/95/05/464519505.db2.gz JIFBFPOMZGSGLX-MSOLQXFVSA-N 2 2 334.508 2.335 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245845977 464519511 /nfs/dbraw/zinc/51/95/11/464519511.db2.gz JIFBFPOMZGSGLX-MSOLQXFVSA-N 2 2 334.508 2.335 20 30 EEEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000281985414 464658218 /nfs/dbraw/zinc/65/82/18/464658218.db2.gz MKCZPXKSFBSUNV-IBGZPJMESA-N 2 2 327.472 2.370 20 30 EEEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000281985414 464658220 /nfs/dbraw/zinc/65/82/20/464658220.db2.gz MKCZPXKSFBSUNV-IBGZPJMESA-N 2 2 327.472 2.370 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000272620847 464680543 /nfs/dbraw/zinc/68/05/43/464680543.db2.gz YFEDXNNMTFKCSD-UHOSZYNNSA-N 2 2 338.455 2.270 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000272620847 464680549 /nfs/dbraw/zinc/68/05/49/464680549.db2.gz YFEDXNNMTFKCSD-UHOSZYNNSA-N 2 2 338.455 2.270 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274767502 464754092 /nfs/dbraw/zinc/75/40/92/464754092.db2.gz LNVURRUCZPODHH-WMZOPIPTSA-N 2 2 336.501 2.087 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274767502 464754098 /nfs/dbraw/zinc/75/40/98/464754098.db2.gz LNVURRUCZPODHH-WMZOPIPTSA-N 2 2 336.501 2.087 20 30 EEEDLP CCNC(=O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183219893 464826520 /nfs/dbraw/zinc/82/65/20/464826520.db2.gz HSPHJUMDLPMYGD-UHFFFAOYSA-N 2 2 342.487 2.275 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000343171807 465486101 /nfs/dbraw/zinc/48/61/01/465486101.db2.gz IKMGPHFOWPFGNZ-WMZOPIPTSA-N 2 2 330.476 2.260 20 30 EEEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)S1 ZINC000267464603 464933708 /nfs/dbraw/zinc/93/37/08/464933708.db2.gz ULMVUMHEKTYGEW-CQSZACIVSA-N 2 2 330.457 2.198 20 30 EEEDLP CN(C(=O)NC[C@H]1CCCn2cc[nH+]c21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329434489 465332601 /nfs/dbraw/zinc/33/26/01/465332601.db2.gz LEIWPNMUQNLIPY-JZWPEALZSA-N 2 2 331.464 2.232 20 30 EEEDLP CN(C(=O)NC[C@H]1CCCn2cc[nH+]c21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329434489 465332608 /nfs/dbraw/zinc/33/26/08/465332608.db2.gz LEIWPNMUQNLIPY-JZWPEALZSA-N 2 2 331.464 2.232 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+][C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329757178 465425271 /nfs/dbraw/zinc/42/52/71/465425271.db2.gz ZEKDCPMPUVCOFZ-LBPRGKRZSA-N 2 2 342.447 2.096 20 30 EEEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(F)(C#N)CC3)c2cc1C ZINC000352466816 465531162 /nfs/dbraw/zinc/53/11/62/465531162.db2.gz GGGRRZCCEYUPKK-OAHLLOKOSA-N 2 2 330.407 2.342 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360621380 465584077 /nfs/dbraw/zinc/58/40/77/465584077.db2.gz XXPGEGXEGYMTBR-WIYYLYMNSA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360621380 465584086 /nfs/dbraw/zinc/58/40/86/465584086.db2.gz XXPGEGXEGYMTBR-WIYYLYMNSA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360621380 465584093 /nfs/dbraw/zinc/58/40/93/465584093.db2.gz XXPGEGXEGYMTBR-WIYYLYMNSA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360621380 465584097 /nfs/dbraw/zinc/58/40/97/465584097.db2.gz XXPGEGXEGYMTBR-WIYYLYMNSA-N 2 2 339.483 2.112 20 30 EEEDLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270128 465593088 /nfs/dbraw/zinc/59/30/88/465593088.db2.gz SXCWYISKLZACSK-AWEZNQCLSA-N 3 2 331.464 2.172 20 30 EEEDLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270128 465593091 /nfs/dbraw/zinc/59/30/91/465593091.db2.gz SXCWYISKLZACSK-AWEZNQCLSA-N 3 2 331.464 2.172 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000593975309 468449821 /nfs/dbraw/zinc/44/98/21/468449821.db2.gz JNCHSYLBWDPSQI-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000593975309 468449827 /nfs/dbraw/zinc/44/98/27/468449827.db2.gz JNCHSYLBWDPSQI-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000593975309 468449833 /nfs/dbraw/zinc/44/98/33/468449833.db2.gz JNCHSYLBWDPSQI-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1ccc(C#N)cn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000593975309 468449840 /nfs/dbraw/zinc/44/98/40/468449840.db2.gz JNCHSYLBWDPSQI-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP CN(c1ncc2c(c1C#N)CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591819858 468526232 /nfs/dbraw/zinc/52/62/32/468526232.db2.gz MZJHHUURMXDYKI-KRWDZBQOSA-N 2 2 339.487 2.047 20 30 EEEDLP CN(c1ncc2c(c1C#N)CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591819858 468526235 /nfs/dbraw/zinc/52/62/35/468526235.db2.gz MZJHHUURMXDYKI-KRWDZBQOSA-N 2 2 339.487 2.047 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)C(C)(C)c2ccccc2)CC1 ZINC000776023950 577450675 /nfs/dbraw/zinc/45/06/75/577450675.db2.gz MEZFCRZBDLSQOV-IBGZPJMESA-N 2 2 341.499 2.110 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000748809848 577967071 /nfs/dbraw/zinc/96/70/71/577967071.db2.gz LQKIVYSHVMJZDB-UHFFFAOYSA-N 2 2 327.472 2.019 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000748809848 577967072 /nfs/dbraw/zinc/96/70/72/577967072.db2.gz LQKIVYSHVMJZDB-UHFFFAOYSA-N 2 2 327.472 2.019 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000823919737 608508457 /nfs/dbraw/zinc/50/84/57/608508457.db2.gz OWBIGAGWKBAYSK-SFHVURJKSA-N 2 2 338.459 2.484 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC001020388660 674589091 /nfs/dbraw/zinc/58/90/91/674589091.db2.gz FAXLORGQXWJOGN-QAQDUYKDSA-N 2 2 345.406 2.257 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC001020571655 675169284 /nfs/dbraw/zinc/16/92/84/675169284.db2.gz RTYGIVPEBRCUQZ-BRWVUGGUSA-N 2 2 349.438 2.138 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000969911124 675301045 /nfs/dbraw/zinc/30/10/45/675301045.db2.gz PIKSFNKBKHEBOL-SJORKVTESA-N 2 2 349.438 2.092 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717279 676377416 /nfs/dbraw/zinc/37/74/16/676377416.db2.gz OQZQHKGMWRJJNS-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717279 676377417 /nfs/dbraw/zinc/37/74/17/676377417.db2.gz OQZQHKGMWRJJNS-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(C#N)sc3[N+](=O)[O-])CC2)CC1 ZINC000892154441 676919125 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C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323851 1299041899 /nfs/dbraw/zinc/04/18/99/1299041899.db2.gz BTNTZZCLPRTIHP-MRXNPFEDSA-N 2 2 348.491 2.070 20 30 EEEDLP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323851 1299041908 /nfs/dbraw/zinc/04/19/08/1299041908.db2.gz BTNTZZCLPRTIHP-MRXNPFEDSA-N 2 2 348.491 2.070 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230381811 1303185989 /nfs/dbraw/zinc/18/59/89/1303185989.db2.gz GWTQJSNCFQLIPL-SFHVURJKSA-N 2 2 330.476 2.231 20 30 EEEDLP C(#Cc1ccccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001235064639 1305102501 /nfs/dbraw/zinc/10/25/01/1305102501.db2.gz SKIIBVTVXKHDDO-JOCHJYFZSA-N 2 2 331.463 2.224 20 30 EEEDLP C(#Cc1ccccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001235064639 1305102504 /nfs/dbraw/zinc/10/25/04/1305102504.db2.gz SKIIBVTVXKHDDO-JOCHJYFZSA-N 2 2 331.463 2.224 20 30 EEEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246032149 1310216691 /nfs/dbraw/zinc/21/66/91/1310216691.db2.gz LFMCUVDHOGWATQ-PKOBYXMFSA-N 2 2 339.524 2.042 20 30 EEEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246032149 1310216696 /nfs/dbraw/zinc/21/66/96/1310216696.db2.gz LFMCUVDHOGWATQ-PKOBYXMFSA-N 2 2 339.524 2.042 20 30 EEEDLP N#Cc1cc(F)cc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247863358 1310754458 /nfs/dbraw/zinc/75/44/58/1310754458.db2.gz ZLUXUXHPQQKSNI-CQSZACIVSA-N 2 2 327.363 2.294 20 30 EEEDLP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825617 1316387463 /nfs/dbraw/zinc/38/74/63/1316387463.db2.gz WEFNFXXSMQFNQF-QGZVFWFLSA-N 2 2 336.480 2.061 20 30 EEEDLP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825617 1316387465 /nfs/dbraw/zinc/38/74/65/1316387465.db2.gz WEFNFXXSMQFNQF-QGZVFWFLSA-N 2 2 336.480 2.061 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203201693 1316503144 /nfs/dbraw/zinc/50/31/44/1316503144.db2.gz IYRYFQFSDVXLJX-JKSUJKDBSA-N 2 2 330.476 2.336 20 30 EEEDLP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001153998074 1316933277 /nfs/dbraw/zinc/93/32/77/1316933277.db2.gz HESCHDPUSITPBI-RDTXWAMCSA-N 2 2 348.466 2.364 20 30 EEEDLP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001153998074 1316933279 /nfs/dbraw/zinc/93/32/79/1316933279.db2.gz HESCHDPUSITPBI-RDTXWAMCSA-N 2 2 348.466 2.364 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491600 1319268913 /nfs/dbraw/zinc/26/89/13/1319268913.db2.gz UPYUPRNUPIGNEU-BRWVUGGUSA-N 2 2 330.476 2.413 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491600 1319268919 /nfs/dbraw/zinc/26/89/19/1319268919.db2.gz UPYUPRNUPIGNEU-BRWVUGGUSA-N 2 2 330.476 2.413 20 30 EEEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)CC1 ZINC001160432069 1320161752 /nfs/dbraw/zinc/16/17/52/1320161752.db2.gz NGYHIOSAQHQZNY-NRFANRHFSA-N 2 2 349.478 2.476 20 30 EEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165859356 1321600756 /nfs/dbraw/zinc/60/07/56/1321600756.db2.gz QLSXTTUJAGBUHX-MRXNPFEDSA-N 2 2 330.476 2.288 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001205345820 1322355073 /nfs/dbraw/zinc/35/50/73/1322355073.db2.gz YZAQDOSNAYHFAO-UHFFFAOYSA-N 2 2 330.476 2.166 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084972 1324307835 /nfs/dbraw/zinc/30/78/35/1324307835.db2.gz VZWHRZWYTWMHCR-INIZCTEOSA-N 2 2 330.476 2.309 20 30 EEEDLP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001316606758 1324582430 /nfs/dbraw/zinc/58/24/30/1324582430.db2.gz PLERFXRSJJYOIS-MOPGFXCFSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001316606758 1324582433 /nfs/dbraw/zinc/58/24/33/1324582433.db2.gz PLERFXRSJJYOIS-MOPGFXCFSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001316606758 1324582437 /nfs/dbraw/zinc/58/24/37/1324582437.db2.gz PLERFXRSJJYOIS-MOPGFXCFSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001316606758 1324582439 /nfs/dbraw/zinc/58/24/39/1324582439.db2.gz PLERFXRSJJYOIS-MOPGFXCFSA-N 2 2 327.472 2.235 20 30 EEEDLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)cc1 ZINC001662282093 1354774233 /nfs/dbraw/zinc/77/42/33/1354774233.db2.gz BNKZQYMETWEKHK-CQSZACIVSA-N 2 2 333.395 2.114 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001071527876 1370514929 /nfs/dbraw/zinc/51/49/29/1370514929.db2.gz KEKRFZJPEPHABU-HOTGVXAUSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001071527876 1370514933 /nfs/dbraw/zinc/51/49/33/1370514933.db2.gz KEKRFZJPEPHABU-HOTGVXAUSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001380088217 1381046791 /nfs/dbraw/zinc/04/67/91/1381046791.db2.gz DOOZSLHWCXZRQZ-AWEZNQCLSA-N 2 2 326.872 2.226 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001752829821 1406455351 /nfs/dbraw/zinc/45/53/51/1406455351.db2.gz ZPVVSHFOHIHDBT-OALUTQOASA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001752829821 1406455356 /nfs/dbraw/zinc/45/53/56/1406455356.db2.gz ZPVVSHFOHIHDBT-OALUTQOASA-N 2 2 349.519 2.177 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001401366263 1397195429 /nfs/dbraw/zinc/19/54/29/1397195429.db2.gz HWFBZQRBLDQPAI-SFHVURJKSA-N 2 2 348.466 2.174 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001401366263 1397195433 /nfs/dbraw/zinc/19/54/33/1397195433.db2.gz HWFBZQRBLDQPAI-SFHVURJKSA-N 2 2 348.466 2.174 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001401425415 1397270816 /nfs/dbraw/zinc/27/08/16/1397270816.db2.gz GXIBPVQIGJQVAK-UHFFFAOYSA-N 2 2 333.823 2.024 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001401425415 1397270824 /nfs/dbraw/zinc/27/08/24/1397270824.db2.gz GXIBPVQIGJQVAK-UHFFFAOYSA-N 2 2 333.823 2.024 20 30 EEEDLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001423612990 1400690536 /nfs/dbraw/zinc/69/05/36/1400690536.db2.gz IMSMIWUGKZKSGT-AWEZNQCLSA-N 2 2 345.472 2.206 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934117 1401811942 /nfs/dbraw/zinc/81/19/42/1401811942.db2.gz IJHWMVAZJQFHJG-RHSMWYFYSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934117 1401811945 /nfs/dbraw/zinc/81/19/45/1401811945.db2.gz IJHWMVAZJQFHJG-RHSMWYFYSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934117 1401811948 /nfs/dbraw/zinc/81/19/48/1401811948.db2.gz IJHWMVAZJQFHJG-RHSMWYFYSA-N 2 2 348.516 2.431 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC000979731543 770977808 /nfs/dbraw/zinc/97/78/08/770977808.db2.gz PWYYDLXBRZFVSC-YESZJQIVSA-N 2 2 342.487 2.165 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC000979731543 770977812 /nfs/dbraw/zinc/97/78/12/770977812.db2.gz PWYYDLXBRZFVSC-YESZJQIVSA-N 2 2 342.487 2.165 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088158958 782999685 /nfs/dbraw/zinc/99/96/85/782999685.db2.gz VAXXNPOSUJNLBJ-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088158958 782999692 /nfs/dbraw/zinc/99/96/92/782999692.db2.gz VAXXNPOSUJNLBJ-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981169009 776661839 /nfs/dbraw/zinc/66/18/39/776661839.db2.gz XVWDOFNIPVJFOW-CABCVRRESA-N 2 2 337.851 2.402 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820712 776949040 /nfs/dbraw/zinc/94/90/40/776949040.db2.gz OGUUPOKJMOBPAY-KANFNMMFSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820712 776949046 /nfs/dbraw/zinc/94/90/46/776949046.db2.gz OGUUPOKJMOBPAY-KANFNMMFSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820712 776949049 /nfs/dbraw/zinc/94/90/49/776949049.db2.gz OGUUPOKJMOBPAY-KANFNMMFSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820712 776949054 /nfs/dbraw/zinc/94/90/54/776949054.db2.gz OGUUPOKJMOBPAY-KANFNMMFSA-N 2 2 342.487 2.477 20 30 EEEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827297 777147794 /nfs/dbraw/zinc/14/77/94/777147794.db2.gz NRRBRQBUECHWDA-MCNSXXNHSA-N 2 2 348.450 2.369 20 30 EEEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827297 777147797 /nfs/dbraw/zinc/14/77/97/777147797.db2.gz NRRBRQBUECHWDA-MCNSXXNHSA-N 2 2 348.450 2.369 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH+]ccn1C ZINC001089839002 777493468 /nfs/dbraw/zinc/49/34/68/777493468.db2.gz OCYZPYOCYTWLPX-FJIDUMEYSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH+]ccn1C ZINC001089839002 777493473 /nfs/dbraw/zinc/49/34/73/777493473.db2.gz OCYZPYOCYTWLPX-FJIDUMEYSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(Br)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127679585 778715589 /nfs/dbraw/zinc/71/55/89/778715589.db2.gz MJLGMPPDOIWFPR-GFCCVEGCSA-N 2 2 343.269 2.011 20 30 EEEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000982099547 779091491 /nfs/dbraw/zinc/09/14/91/779091491.db2.gz DBYBQVXLPPGELR-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000982099547 779091510 /nfs/dbraw/zinc/09/15/10/779091510.db2.gz DBYBQVXLPPGELR-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087463148 780965980 /nfs/dbraw/zinc/96/59/80/780965980.db2.gz UIVMORBHNDPTFX-GUDVDZBRSA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087463148 780965983 /nfs/dbraw/zinc/96/59/83/780965983.db2.gz UIVMORBHNDPTFX-GUDVDZBRSA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087463148 780965989 /nfs/dbraw/zinc/96/59/89/780965989.db2.gz UIVMORBHNDPTFX-GUDVDZBRSA-N 2 2 345.462 2.380 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035203108 784049505 /nfs/dbraw/zinc/04/95/05/784049505.db2.gz YEELOPXQXZNEER-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035203108 784049513 /nfs/dbraw/zinc/04/95/13/784049513.db2.gz YEELOPXQXZNEER-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001035571577 784703108 /nfs/dbraw/zinc/70/31/08/784703108.db2.gz FCSNGNPBRRWKKZ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035571577 784703113 /nfs/dbraw/zinc/70/31/13/784703113.db2.gz FCSNGNPBRRWKKZ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001035571577 784703117 /nfs/dbraw/zinc/70/31/17/784703117.db2.gz FCSNGNPBRRWKKZ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001035571577 784703123 /nfs/dbraw/zinc/70/31/23/784703123.db2.gz FCSNGNPBRRWKKZ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001136030850 785011924 /nfs/dbraw/zinc/01/19/24/785011924.db2.gz CVMRZGHGYNARNO-KBPBESRZSA-N 2 2 339.443 2.205 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]ccc1OC)CC2 ZINC001035733028 785038159 /nfs/dbraw/zinc/03/81/59/785038159.db2.gz LRGCJFOBNCPXCY-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035798927 785150653 /nfs/dbraw/zinc/15/06/53/785150653.db2.gz VOIDIQIIDIVSTA-IAGOWNOFSA-N 2 2 342.487 2.414 20 30 EEEDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1C#N ZINC000819181810 785452064 /nfs/dbraw/zinc/45/20/64/785452064.db2.gz BHGGWQSZRYOQKX-LJQANCHMSA-N 2 2 339.439 2.149 20 30 EEEDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000819181810 785452070 /nfs/dbraw/zinc/45/20/70/785452070.db2.gz BHGGWQSZRYOQKX-LJQANCHMSA-N 2 2 339.439 2.149 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995976641 785883483 /nfs/dbraw/zinc/88/34/83/785883483.db2.gz DEIKZULKXLMDOE-UKRRQHHQSA-N 2 2 336.867 2.025 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000820847319 786496487 /nfs/dbraw/zinc/49/64/87/786496487.db2.gz ZPLVEFRFKDWCAH-UHFFFAOYSA-N 2 2 335.249 2.142 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000820847319 786496491 /nfs/dbraw/zinc/49/64/91/786496491.db2.gz ZPLVEFRFKDWCAH-UHFFFAOYSA-N 2 2 335.249 2.142 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026315 793514208 /nfs/dbraw/zinc/51/42/08/793514208.db2.gz JYNMMAUQBZQTSG-ADAWSYLGSA-N 2 2 348.878 2.056 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026315 793514214 /nfs/dbraw/zinc/51/42/14/793514214.db2.gz JYNMMAUQBZQTSG-ADAWSYLGSA-N 2 2 348.878 2.056 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717310 794610490 /nfs/dbraw/zinc/61/04/90/794610490.db2.gz TWKJUUQAMVHFFK-ZWKOTPCHSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717310 794610497 /nfs/dbraw/zinc/61/04/97/794610497.db2.gz TWKJUUQAMVHFFK-ZWKOTPCHSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001079879116 795313056 /nfs/dbraw/zinc/31/30/56/795313056.db2.gz ABSDISLBOVDJSG-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001079879116 795313064 /nfs/dbraw/zinc/31/30/64/795313064.db2.gz ABSDISLBOVDJSG-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001079879116 795313069 /nfs/dbraw/zinc/31/30/69/795313069.db2.gz ABSDISLBOVDJSG-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001079879116 795313074 /nfs/dbraw/zinc/31/30/74/795313074.db2.gz ABSDISLBOVDJSG-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340164 795418526 /nfs/dbraw/zinc/41/85/26/795418526.db2.gz NSSVVJYWQRQROI-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001094439295 796245148 /nfs/dbraw/zinc/24/51/48/796245148.db2.gz BTIITQORCRTRNC-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001094439295 796245152 /nfs/dbraw/zinc/24/51/52/796245152.db2.gz BTIITQORCRTRNC-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001094439295 796245159 /nfs/dbraw/zinc/24/51/59/796245159.db2.gz BTIITQORCRTRNC-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001094439295 796245166 /nfs/dbraw/zinc/24/51/66/796245166.db2.gz BTIITQORCRTRNC-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820337 797026202 /nfs/dbraw/zinc/02/62/02/797026202.db2.gz WOMJPXQECFDSTI-IRXDYDNUSA-N 2 2 345.512 2.309 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820337 797026207 /nfs/dbraw/zinc/02/62/07/797026207.db2.gz WOMJPXQECFDSTI-IRXDYDNUSA-N 2 2 345.512 2.309 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993806003 797032768 /nfs/dbraw/zinc/03/27/68/797032768.db2.gz OGBKUCTUCDHGMZ-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993806003 797032776 /nfs/dbraw/zinc/03/27/76/797032776.db2.gz OGBKUCTUCDHGMZ-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993806003 797032783 /nfs/dbraw/zinc/03/27/83/797032783.db2.gz OGBKUCTUCDHGMZ-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993806003 797032789 /nfs/dbraw/zinc/03/27/89/797032789.db2.gz OGBKUCTUCDHGMZ-HUUCEWRRSA-N 2 2 327.900 2.440 20 30 EEEDLP CC#CC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001001692813 797119257 /nfs/dbraw/zinc/11/92/57/797119257.db2.gz NACBWHCRVJRJTI-UHFFFAOYSA-N 2 2 336.439 2.337 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563200 806584723 /nfs/dbraw/zinc/58/47/23/806584723.db2.gz KUTVYEZHJZOPQU-KXBFYZLASA-N 2 2 330.476 2.482 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175478284 798117668 /nfs/dbraw/zinc/11/76/68/798117668.db2.gz JOGITHGYYUAIBQ-ZDUSSCGKSA-N 2 2 345.472 2.350 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422400 798186727 /nfs/dbraw/zinc/18/67/27/798186727.db2.gz XPDPFJRBEMUARR-BZUAXINKSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422400 798186731 /nfs/dbraw/zinc/18/67/31/798186731.db2.gz XPDPFJRBEMUARR-BZUAXINKSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422400 798186735 /nfs/dbraw/zinc/18/67/35/798186735.db2.gz XPDPFJRBEMUARR-BZUAXINKSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422400 798186740 /nfs/dbraw/zinc/18/67/40/798186740.db2.gz XPDPFJRBEMUARR-BZUAXINKSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084975511 798587629 /nfs/dbraw/zinc/58/76/29/798587629.db2.gz HYICLOKXXRJRLK-KURKYZTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084975511 798587631 /nfs/dbraw/zinc/58/76/31/798587631.db2.gz HYICLOKXXRJRLK-KURKYZTESA-N 2 2 342.487 2.335 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001176828565 798589502 /nfs/dbraw/zinc/58/95/02/798589502.db2.gz COHNCQCEQFFJRD-CQSZACIVSA-N 2 2 345.472 2.281 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001032837119 799440557 /nfs/dbraw/zinc/44/05/57/799440557.db2.gz BJWDUDWEUQCCKS-AQNXPRMDSA-N 2 2 339.483 2.426 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001032837119 799440561 /nfs/dbraw/zinc/44/05/61/799440561.db2.gz BJWDUDWEUQCCKS-AQNXPRMDSA-N 2 2 339.483 2.426 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001032837119 799440565 /nfs/dbraw/zinc/44/05/65/799440565.db2.gz BJWDUDWEUQCCKS-AQNXPRMDSA-N 2 2 339.483 2.426 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001032837119 799440570 /nfs/dbraw/zinc/44/05/70/799440570.db2.gz BJWDUDWEUQCCKS-AQNXPRMDSA-N 2 2 339.483 2.426 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001179689941 800039622 /nfs/dbraw/zinc/03/96/22/800039622.db2.gz SQLMJVYPBIUMRM-UHFFFAOYSA-N 2 2 339.443 2.290 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001006240000 800326513 /nfs/dbraw/zinc/32/65/13/800326513.db2.gz VPMOIMFDKAOBDA-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001180356503 800375504 /nfs/dbraw/zinc/37/55/04/800375504.db2.gz BGHRXEZTBYUBBK-UHFFFAOYSA-N 2 2 333.501 2.006 20 30 EEEDLP C#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001180356503 800375509 /nfs/dbraw/zinc/37/55/09/800375509.db2.gz BGHRXEZTBYUBBK-UHFFFAOYSA-N 2 2 333.501 2.006 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001085374756 800424657 /nfs/dbraw/zinc/42/46/57/800424657.db2.gz HXIPTIWHQQVCSZ-HUUCEWRRSA-N 2 2 343.456 2.103 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731764 801719224 /nfs/dbraw/zinc/71/92/24/801719224.db2.gz TUOYIDWLKQAROB-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001108334355 803309447 /nfs/dbraw/zinc/30/94/47/803309447.db2.gz IXYGXDUNRINNAT-MJGOQNOKSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001108334355 803309454 /nfs/dbraw/zinc/30/94/54/803309454.db2.gz IXYGXDUNRINNAT-MJGOQNOKSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001108334355 803309460 /nfs/dbraw/zinc/30/94/60/803309460.db2.gz IXYGXDUNRINNAT-MJGOQNOKSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001108334355 803309467 /nfs/dbraw/zinc/30/94/67/803309467.db2.gz IXYGXDUNRINNAT-MJGOQNOKSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001108337084 803318098 /nfs/dbraw/zinc/31/80/98/803318098.db2.gz SFYONCHNEJYUPD-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001108337084 803318107 /nfs/dbraw/zinc/31/81/07/803318107.db2.gz SFYONCHNEJYUPD-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001108337084 803318114 /nfs/dbraw/zinc/31/81/14/803318114.db2.gz SFYONCHNEJYUPD-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001108337084 803318118 /nfs/dbraw/zinc/31/81/18/803318118.db2.gz SFYONCHNEJYUPD-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001113674675 809511399 /nfs/dbraw/zinc/51/13/99/809511399.db2.gz DXDFZNBFLKYNEX-UHFFFAOYSA-N 2 2 340.471 2.078 20 30 EEEDLP C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001438718961 1091243643 /nfs/dbraw/zinc/24/36/43/1091243643.db2.gz XNFIMLMNJWVNMR-CYBMUJFWSA-N 2 2 343.269 2.008 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001439863701 1092894550 /nfs/dbraw/zinc/89/45/50/1092894550.db2.gz DFNRSQJHFQJTOI-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001439863701 1092894553 /nfs/dbraw/zinc/89/45/53/1092894553.db2.gz DFNRSQJHFQJTOI-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001439863701 1092894560 /nfs/dbraw/zinc/89/45/60/1092894560.db2.gz DFNRSQJHFQJTOI-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001439863701 1092894564 /nfs/dbraw/zinc/89/45/64/1092894564.db2.gz DFNRSQJHFQJTOI-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001440477230 1093706714 /nfs/dbraw/zinc/70/67/14/1093706714.db2.gz LETSGNXKDAQMEV-UHFFFAOYSA-N 2 2 339.443 2.113 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001440477230 1093706723 /nfs/dbraw/zinc/70/67/23/1093706723.db2.gz LETSGNXKDAQMEV-UHFFFAOYSA-N 2 2 339.443 2.113 20 30 EEEDLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329288133 539770598 /nfs/dbraw/zinc/77/05/98/539770598.db2.gz HQXIVPSPNWOOGW-MRXNPFEDSA-N 2 2 343.475 2.312 20 30 EEEDLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329288133 539770602 /nfs/dbraw/zinc/77/06/02/539770602.db2.gz HQXIVPSPNWOOGW-MRXNPFEDSA-N 2 2 343.475 2.312 20 30 EEEDLP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000414347433 266926677 /nfs/dbraw/zinc/92/66/77/266926677.db2.gz QZEOWMKNSIUVJV-HNNXBMFYSA-N 2 2 328.460 2.025 20 30 EEEDLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000278907437 269250371 /nfs/dbraw/zinc/25/03/71/269250371.db2.gz VOBPJBIXTBHLFI-PMACEKPBSA-N 2 2 343.471 2.306 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000265351851 275382146 /nfs/dbraw/zinc/38/21/46/275382146.db2.gz XRXVFPPDGZLXSU-QGZVFWFLSA-N 2 2 349.425 2.029 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000561239150 318834463 /nfs/dbraw/zinc/83/44/63/318834463.db2.gz RTGXABXPCRVTKB-LJQANCHMSA-N 2 2 338.455 2.270 20 30 EEEDLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328969265 465187025 /nfs/dbraw/zinc/18/70/25/465187025.db2.gz UKVLCXFBGWWOIN-OLMNPRSZSA-N 2 2 346.475 2.170 20 30 EEEDLP C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+]1CCOCC1 ZINC000120341089 462989146 /nfs/dbraw/zinc/98/91/46/462989146.db2.gz FDLIOBPCKOKAQU-QGZVFWFLSA-N 2 2 331.460 2.427 20 30 EEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000134860071 463088726 /nfs/dbraw/zinc/08/87/26/463088726.db2.gz RKOGIAWBYRVJJP-AEFFLSMTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000134860071 463088731 /nfs/dbraw/zinc/08/87/31/463088731.db2.gz RKOGIAWBYRVJJP-AEFFLSMTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000134860071 463088738 /nfs/dbraw/zinc/08/87/38/463088738.db2.gz RKOGIAWBYRVJJP-AEFFLSMTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000134860071 463088741 /nfs/dbraw/zinc/08/87/41/463088741.db2.gz RKOGIAWBYRVJJP-AEFFLSMTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134919668 463096169 /nfs/dbraw/zinc/09/61/69/463096169.db2.gz PUNNDQNHHZVDFJ-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134919668 463096176 /nfs/dbraw/zinc/09/61/76/463096176.db2.gz PUNNDQNHHZVDFJ-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134919668 463096183 /nfs/dbraw/zinc/09/61/83/463096183.db2.gz PUNNDQNHHZVDFJ-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134919668 463096186 /nfs/dbraw/zinc/09/61/86/463096186.db2.gz PUNNDQNHHZVDFJ-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000158997830 463262968 /nfs/dbraw/zinc/26/29/68/463262968.db2.gz GMOQQGIOGLQZTD-SJORKVTESA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000158997830 463262972 /nfs/dbraw/zinc/26/29/72/463262972.db2.gz GMOQQGIOGLQZTD-SJORKVTESA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1(C#N)CCCCC1 ZINC000158997830 463262978 /nfs/dbraw/zinc/26/29/78/463262978.db2.gz GMOQQGIOGLQZTD-SJORKVTESA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1(C#N)CCCCC1 ZINC000158997830 463262984 /nfs/dbraw/zinc/26/29/84/463262984.db2.gz GMOQQGIOGLQZTD-SJORKVTESA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@@]1(C)CCCS1 ZINC000159272105 463277543 /nfs/dbraw/zinc/27/75/43/463277543.db2.gz QMFDAPAFPMIUJJ-QGZVFWFLSA-N 2 2 344.488 2.218 20 30 EEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@]1(C)CCCS1 ZINC000159272247 463277861 /nfs/dbraw/zinc/27/78/61/463277861.db2.gz QMFDAPAFPMIUJJ-KRWDZBQOSA-N 2 2 344.488 2.218 20 30 EEEDLP C#CC[NH+]1CCC(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CC1 ZINC000277725382 463929351 /nfs/dbraw/zinc/92/93/51/463929351.db2.gz BARIFROOZMQFDZ-UHFFFAOYSA-N 2 2 334.383 2.130 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000264375371 464303070 /nfs/dbraw/zinc/30/30/70/464303070.db2.gz JXTWGVVRXJYMIX-UHFFFAOYSA-N 2 2 341.459 2.482 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2)C[C@@H](C)O1 ZINC000329894973 465465502 /nfs/dbraw/zinc/46/55/02/465465502.db2.gz KIPGXEZGXVDXGX-RKVPGOIHSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2)C[C@@H](C)O1 ZINC000329894973 465465508 /nfs/dbraw/zinc/46/55/08/465465508.db2.gz KIPGXEZGXVDXGX-RKVPGOIHSA-N 2 2 347.459 2.214 20 30 EEEDLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343305511 465502277 /nfs/dbraw/zinc/50/22/77/465502277.db2.gz SFIWJROHNNSWKG-UHFFFAOYSA-N 2 2 328.460 2.053 20 30 EEEDLP N#Cc1csc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000304618165 466306480 /nfs/dbraw/zinc/30/64/80/466306480.db2.gz HGSKGVJPLWYNDD-QGZVFWFLSA-N 2 2 327.453 2.129 20 30 EEEDLP N#Cc1csc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000304618165 466306486 /nfs/dbraw/zinc/30/64/86/466306486.db2.gz HGSKGVJPLWYNDD-QGZVFWFLSA-N 2 2 327.453 2.129 20 30 EEEDLP C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783370 466874421 /nfs/dbraw/zinc/87/44/21/466874421.db2.gz CXEXVHBLLIHNRG-DFNIBXOVSA-N 2 2 340.471 2.490 20 30 EEEDLP C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783370 466874426 /nfs/dbraw/zinc/87/44/26/466874426.db2.gz CXEXVHBLLIHNRG-DFNIBXOVSA-N 2 2 340.471 2.490 20 30 EEEDLP C[NH+](CC(=O)N(CCC#N)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375783370 466874429 /nfs/dbraw/zinc/87/44/29/466874429.db2.gz CXEXVHBLLIHNRG-DFNIBXOVSA-N 2 2 340.471 2.490 20 30 EEEDLP C[NH+](CC(=O)N(CCC#N)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375783370 466874434 /nfs/dbraw/zinc/87/44/34/466874434.db2.gz CXEXVHBLLIHNRG-DFNIBXOVSA-N 2 2 340.471 2.490 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378354471 467276696 /nfs/dbraw/zinc/27/66/96/467276696.db2.gz JWORHDIMSJRWPR-IEBWSBKVSA-N 2 2 342.487 2.189 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000378354471 467276698 /nfs/dbraw/zinc/27/66/98/467276698.db2.gz JWORHDIMSJRWPR-IEBWSBKVSA-N 2 2 342.487 2.189 20 30 EEEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000489497278 468145092 /nfs/dbraw/zinc/14/50/92/468145092.db2.gz MPZOTAPXAKESGR-GOSISDBHSA-N 2 2 349.519 2.178 20 30 EEEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000489497278 468145098 /nfs/dbraw/zinc/14/50/98/468145098.db2.gz MPZOTAPXAKESGR-GOSISDBHSA-N 2 2 349.519 2.178 20 30 EEEDLP CC(C)(CC#N)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000601128003 468752721 /nfs/dbraw/zinc/75/27/21/468752721.db2.gz YKLNYKXVLRAAMI-UHFFFAOYSA-N 2 2 331.460 2.427 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000584537965 468895283 /nfs/dbraw/zinc/89/52/83/468895283.db2.gz BPKRLQHZPMVXHW-IBGZPJMESA-N 2 2 342.487 2.311 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000584537965 468895287 /nfs/dbraw/zinc/89/52/87/468895287.db2.gz BPKRLQHZPMVXHW-IBGZPJMESA-N 2 2 342.487 2.311 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000563823383 469246679 /nfs/dbraw/zinc/24/66/79/469246679.db2.gz RTBAVQYACSEWCF-CYBMUJFWSA-N 2 2 344.381 2.223 20 30 EEEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCC[NH2+]1 ZINC000662662671 472192269 /nfs/dbraw/zinc/19/22/69/472192269.db2.gz BQWIQHHFFLPNFS-FQEVSTJZSA-N 2 2 327.472 2.338 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000171736981 526424366 /nfs/dbraw/zinc/42/43/66/526424366.db2.gz AAVNJLJJZYAXLK-UHFFFAOYSA-N 2 2 346.475 2.499 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2C)C(C)C)CC1 ZINC000775405612 577436758 /nfs/dbraw/zinc/43/67/58/577436758.db2.gz CXFQRPMMZFCJIX-FQEVSTJZSA-N 2 2 327.472 2.059 20 30 EEEDLP C=CC[N@@H+](C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000754007771 577798470 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HGBWBRZRENIGNX-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@@H]1C ZINC001071957332 1295039389 /nfs/dbraw/zinc/03/93/89/1295039389.db2.gz HGBWBRZRENIGNX-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084648 1300269041 /nfs/dbraw/zinc/26/90/41/1300269041.db2.gz BOBDDMWOEJWLOD-NVXWUHKLSA-N 2 2 331.460 2.283 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084648 1300269056 /nfs/dbraw/zinc/26/90/56/1300269056.db2.gz BOBDDMWOEJWLOD-NVXWUHKLSA-N 2 2 331.460 2.283 20 30 EEEDLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001228800850 1302453104 /nfs/dbraw/zinc/45/31/04/1302453104.db2.gz PEILKIAZHDHGJX-RTBURBONSA-N 2 2 336.439 2.021 20 30 EEEDLP C[NH+](C)CCC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001228999161 1302563603 /nfs/dbraw/zinc/56/36/03/1302563603.db2.gz OFBDWZJZTWYOEO-UHFFFAOYSA-N 2 2 347.890 2.224 20 30 EEEDLP 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C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165818693 1321591145 /nfs/dbraw/zinc/59/11/45/1321591145.db2.gz AVNVAWBZTHWFMI-MRXNPFEDSA-N 2 2 330.476 2.288 20 30 EEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165837420 1321595596 /nfs/dbraw/zinc/59/55/96/1321595596.db2.gz UUXXQULVIKWFEZ-MRXNPFEDSA-N 2 2 330.476 2.288 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001276492985 1323597407 /nfs/dbraw/zinc/59/74/07/1323597407.db2.gz FFRMENRRCNPWSM-UHFFFAOYSA-N 2 2 337.427 2.085 20 30 EEEDLP C=C(Br)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757430 1324129518 /nfs/dbraw/zinc/12/95/18/1324129518.db2.gz BTLVPSUQELIISR-DGCLKSJQSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757430 1324129522 /nfs/dbraw/zinc/12/95/22/1324129522.db2.gz BTLVPSUQELIISR-DGCLKSJQSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757430 1324129531 /nfs/dbraw/zinc/12/95/31/1324129531.db2.gz BTLVPSUQELIISR-DGCLKSJQSA-N 2 2 346.313 2.062 20 30 EEEDLP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001479909810 1337553790 /nfs/dbraw/zinc/55/37/90/1337553790.db2.gz RDOOGFRSYZLUSC-VQTJNVASSA-N 2 2 341.499 2.205 20 30 EEEDLP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001479909810 1337553795 /nfs/dbraw/zinc/55/37/95/1337553795.db2.gz RDOOGFRSYZLUSC-VQTJNVASSA-N 2 2 341.499 2.205 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841666 1372283130 /nfs/dbraw/zinc/28/31/30/1372283130.db2.gz PBBNAHWLNUXWKX-UHFFFAOYSA-N 2 2 333.451 2.323 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001368058072 1374328336 /nfs/dbraw/zinc/32/83/36/1374328336.db2.gz GVCUQIXMPPLYJS-KRWDZBQOSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001368058072 1374328339 /nfs/dbraw/zinc/32/83/39/1374328339.db2.gz GVCUQIXMPPLYJS-KRWDZBQOSA-N 2 2 336.867 2.340 20 30 EEEDLP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)cc1F ZINC001377271643 1379092493 /nfs/dbraw/zinc/09/24/93/1379092493.db2.gz KJVKUHRNHHDVGT-UHFFFAOYSA-N 2 2 346.450 2.121 20 30 EEEDLP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)cc1F ZINC001377271643 1379092496 /nfs/dbraw/zinc/09/24/96/1379092496.db2.gz KJVKUHRNHHDVGT-UHFFFAOYSA-N 2 2 346.450 2.121 20 30 EEEDLP C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001391935971 1389725574 /nfs/dbraw/zinc/72/55/74/1389725574.db2.gz YUQNEXKVEVVKLH-HZPDHXFCSA-N 2 2 339.443 2.248 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001392734851 1390180935 /nfs/dbraw/zinc/18/09/35/1390180935.db2.gz IHPAANIXQKWRGV-HOCLYGCPSA-N 2 2 338.883 2.370 20 30 EEEDLP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N)[NH+](C)C ZINC001399912260 1395637494 /nfs/dbraw/zinc/63/74/94/1395637494.db2.gz YCRIQYDIRBNPCF-OALUTQOASA-N 2 2 342.487 2.225 20 30 EEEDLP 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ZINC001755376436 1407380577 /nfs/dbraw/zinc/38/05/77/1407380577.db2.gz DCZNXVPJMCRXBP-KSSFIOAISA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001755376436 1407380583 /nfs/dbraw/zinc/38/05/83/1407380583.db2.gz DCZNXVPJMCRXBP-KSSFIOAISA-N 2 2 345.491 2.193 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783743 782251025 /nfs/dbraw/zinc/25/10/25/782251025.db2.gz RVDGUPNWGFKFGW-DOTOQJQBSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783743 782251032 /nfs/dbraw/zinc/25/10/32/782251032.db2.gz RVDGUPNWGFKFGW-DOTOQJQBSA-N 2 2 325.416 2.036 20 30 EEEDLP C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F)n1cc[nH+]c1 ZINC001167427975 758354467 /nfs/dbraw/zinc/35/44/67/758354467.db2.gz DUKSLDZFPCGAOT-AWEZNQCLSA-N 2 2 343.406 2.141 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367559 759826400 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PTCUQJDPNWZTDD-FUHWJXTLSA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980231676 774155485 /nfs/dbraw/zinc/15/54/85/774155485.db2.gz NNXINFJEZGXGQI-GVDBMIGSSA-N 2 2 330.476 2.444 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980231676 774155486 /nfs/dbraw/zinc/15/54/86/774155486.db2.gz NNXINFJEZGXGQI-GVDBMIGSSA-N 2 2 330.476 2.444 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693878 774419185 /nfs/dbraw/zinc/41/91/85/774419185.db2.gz QNWQWRFFPLNZOB-JKSUJKDBSA-N 2 2 342.487 2.460 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693878 774419187 /nfs/dbraw/zinc/41/91/87/774419187.db2.gz QNWQWRFFPLNZOB-JKSUJKDBSA-N 2 2 342.487 2.460 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035486198 784569337 /nfs/dbraw/zinc/56/93/37/784569337.db2.gz YEBKEFAZFIZHCU-RBUKOAKNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035486198 784569346 /nfs/dbraw/zinc/56/93/46/784569346.db2.gz YEBKEFAZFIZHCU-RBUKOAKNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001035486198 784569356 /nfs/dbraw/zinc/56/93/56/784569356.db2.gz YEBKEFAZFIZHCU-RBUKOAKNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001035486198 784569361 /nfs/dbraw/zinc/56/93/61/784569361.db2.gz YEBKEFAZFIZHCU-RBUKOAKNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001036035428 785652808 /nfs/dbraw/zinc/65/28/08/785652808.db2.gz AKWBAHDQDRSBGS-DOTOQJQBSA-N 2 2 330.476 2.165 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449062 788820072 /nfs/dbraw/zinc/82/00/72/788820072.db2.gz TWPMNIPBKPQMDH-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449062 788820081 /nfs/dbraw/zinc/82/00/81/788820081.db2.gz TWPMNIPBKPQMDH-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560686 791342205 /nfs/dbraw/zinc/34/22/05/791342205.db2.gz CNKYFRRWUJWZHI-GJZGRUSLSA-N 2 2 333.501 2.002 20 30 EEEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560686 791342206 /nfs/dbraw/zinc/34/22/06/791342206.db2.gz CNKYFRRWUJWZHI-GJZGRUSLSA-N 2 2 333.501 2.002 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051247 791892732 /nfs/dbraw/zinc/89/27/32/791892732.db2.gz MAUHTRRJSAVCPG-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051247 791892736 /nfs/dbraw/zinc/89/27/36/791892736.db2.gz MAUHTRRJSAVCPG-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051243 791893055 /nfs/dbraw/zinc/89/30/55/791893055.db2.gz MAUHTRRJSAVCPG-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051243 791893062 /nfs/dbraw/zinc/89/30/62/791893062.db2.gz MAUHTRRJSAVCPG-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998299488 792506937 /nfs/dbraw/zinc/50/69/37/792506937.db2.gz CSVHGBWBGHBVLJ-NWDGAFQWSA-N 2 2 344.381 2.242 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992186283 793123893 /nfs/dbraw/zinc/12/38/93/793123893.db2.gz GABWCAYQSFBVDO-UKPHBRMFSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992186283 793123898 /nfs/dbraw/zinc/12/38/98/793123898.db2.gz GABWCAYQSFBVDO-UKPHBRMFSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992186283 793123902 /nfs/dbraw/zinc/12/39/02/793123902.db2.gz GABWCAYQSFBVDO-UKPHBRMFSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992186283 793123909 /nfs/dbraw/zinc/12/39/09/793123909.db2.gz GABWCAYQSFBVDO-UKPHBRMFSA-N 2 2 325.884 2.194 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782797 794982029 /nfs/dbraw/zinc/98/20/29/794982029.db2.gz POURJAITTLMFHZ-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782797 794982034 /nfs/dbraw/zinc/98/20/34/794982034.db2.gz POURJAITTLMFHZ-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001093581562 795393184 /nfs/dbraw/zinc/39/31/84/795393184.db2.gz POQHSFGWVXANPZ-LJQANCHMSA-N 2 2 349.519 2.127 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001093581562 795393193 /nfs/dbraw/zinc/39/31/93/795393193.db2.gz POQHSFGWVXANPZ-LJQANCHMSA-N 2 2 349.519 2.127 20 30 EEEDLP N#Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000921770010 795861972 /nfs/dbraw/zinc/86/19/72/795861972.db2.gz AMDWMIKYKVCXIO-GOSISDBHSA-N 2 2 327.453 2.346 20 30 EEEDLP N#Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000921770010 795861979 /nfs/dbraw/zinc/86/19/79/795861979.db2.gz AMDWMIKYKVCXIO-GOSISDBHSA-N 2 2 327.453 2.346 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655432 796054796 /nfs/dbraw/zinc/05/47/96/796054796.db2.gz OHYVOTUSZAMPJI-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=C)Cl)CC2 ZINC001094436800 796242031 /nfs/dbraw/zinc/24/20/31/796242031.db2.gz JBOSJKQTVKRQQX-YQVWRLOYSA-N 2 2 349.906 2.197 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=C)Cl)CC2 ZINC001094436800 796242039 /nfs/dbraw/zinc/24/20/39/796242039.db2.gz JBOSJKQTVKRQQX-YQVWRLOYSA-N 2 2 349.906 2.197 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=C)Cl)CC2 ZINC001094436800 796242044 /nfs/dbraw/zinc/24/20/44/796242044.db2.gz JBOSJKQTVKRQQX-YQVWRLOYSA-N 2 2 349.906 2.197 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=C)Cl)CC2 ZINC001094436800 796242050 /nfs/dbraw/zinc/24/20/50/796242050.db2.gz JBOSJKQTVKRQQX-YQVWRLOYSA-N 2 2 349.906 2.197 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571723 806624897 /nfs/dbraw/zinc/62/48/97/806624897.db2.gz KNGBEONZBVXUQU-LPHOPBHVSA-N 2 2 330.476 2.147 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085028966 798621615 /nfs/dbraw/zinc/62/16/15/798621615.db2.gz BMTJYVFUYFDKJC-INMHGKMJSA-N 2 2 328.460 2.329 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085028966 798621617 /nfs/dbraw/zinc/62/16/17/798621617.db2.gz BMTJYVFUYFDKJC-INMHGKMJSA-N 2 2 328.460 2.329 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002872521 798762777 /nfs/dbraw/zinc/76/27/77/798762777.db2.gz ROFYRXODVGLXHR-GOSISDBHSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002872521 798762779 /nfs/dbraw/zinc/76/27/79/798762779.db2.gz ROFYRXODVGLXHR-GOSISDBHSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001178746451 799608898 /nfs/dbraw/zinc/60/88/98/799608898.db2.gz FDCWXSYGTQDCGB-RDJZCZTQSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085249619 800286431 /nfs/dbraw/zinc/28/64/31/800286431.db2.gz LBKUEWFXVXRHNX-RBSFLKMASA-N 2 2 336.867 2.215 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001181518202 800831526 /nfs/dbraw/zinc/83/15/26/800831526.db2.gz QKHUIDWDNGJVOK-OXQOHEQNSA-N 2 2 344.503 2.412 20 30 EEEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181884333 800946020 /nfs/dbraw/zinc/94/60/20/800946020.db2.gz FUBLRCNFLFBTNE-DNVCBOLYSA-N 2 2 330.476 2.024 20 30 EEEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001183042897 801437289 /nfs/dbraw/zinc/43/72/89/801437289.db2.gz HDTGKWRFFPCHRL-UHFFFAOYSA-N 2 2 328.460 2.107 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001183496919 801630000 /nfs/dbraw/zinc/63/00/00/801630000.db2.gz QOFAXPHBNYNGGE-DNVCBOLYSA-N 2 2 347.528 2.366 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001183496919 801630006 /nfs/dbraw/zinc/63/00/06/801630006.db2.gz QOFAXPHBNYNGGE-DNVCBOLYSA-N 2 2 347.528 2.366 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004618986 802496800 /nfs/dbraw/zinc/49/68/00/802496800.db2.gz IWIJJDJCXYFDAV-MOPGFXCFSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004618986 802496806 /nfs/dbraw/zinc/49/68/06/802496806.db2.gz IWIJJDJCXYFDAV-MOPGFXCFSA-N 2 2 346.519 2.333 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694097 802838379 /nfs/dbraw/zinc/83/83/79/802838379.db2.gz LSSJWYQWAXSCJL-CALCHBBNSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694097 802838386 /nfs/dbraw/zinc/83/83/86/802838386.db2.gz LSSJWYQWAXSCJL-CALCHBBNSA-N 2 2 330.476 2.099 20 30 EEEDLP CC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001169573402 803857104 /nfs/dbraw/zinc/85/71/04/803857104.db2.gz DWLWUYYVZFGBKI-HXUWFJFHSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001442723699 1097096409 /nfs/dbraw/zinc/09/64/09/1097096409.db2.gz NSANRALHHAJRJZ-UHFFFAOYSA-N 2 2 333.823 2.072 20 30 EEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001442723699 1097096417 /nfs/dbraw/zinc/09/64/17/1097096417.db2.gz NSANRALHHAJRJZ-UHFFFAOYSA-N 2 2 333.823 2.072 20 30 EEEDLP COCC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181488144 234202609 /nfs/dbraw/zinc/20/26/09/234202609.db2.gz RVROLQPNDKVJTG-UHFFFAOYSA-N 3 2 344.503 2.081 20 30 EEEDLP COCC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181488144 234202613 /nfs/dbraw/zinc/20/26/13/234202613.db2.gz RVROLQPNDKVJTG-UHFFFAOYSA-N 3 2 344.503 2.081 20 30 EEEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337188848 465234704 /nfs/dbraw/zinc/23/47/04/465234704.db2.gz QOGYFSSPDYULOW-MOPGFXCFSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337188848 465234706 /nfs/dbraw/zinc/23/47/06/465234706.db2.gz QOGYFSSPDYULOW-MOPGFXCFSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000337188848 465234711 /nfs/dbraw/zinc/23/47/11/465234711.db2.gz QOGYFSSPDYULOW-MOPGFXCFSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000337188848 465234715 /nfs/dbraw/zinc/23/47/15/465234715.db2.gz QOGYFSSPDYULOW-MOPGFXCFSA-N 2 2 327.472 2.227 20 30 EEEDLP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000329178891 465258440 /nfs/dbraw/zinc/25/84/40/465258440.db2.gz MLUOHJLNBATJPY-CRAIPNDOSA-N 3 2 345.491 2.349 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477945 462652254 /nfs/dbraw/zinc/65/22/54/462652254.db2.gz AKYARZXITZQGCO-IAGOWNOFSA-N 2 2 328.460 2.205 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477945 462652261 /nfs/dbraw/zinc/65/22/61/462652261.db2.gz AKYARZXITZQGCO-IAGOWNOFSA-N 2 2 328.460 2.205 20 30 EEEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000124410331 463419825 /nfs/dbraw/zinc/41/98/25/463419825.db2.gz VBBYNEGPFKUZMC-UHFFFAOYSA-N 2 2 331.807 2.369 20 30 EEEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000124410331 463419827 /nfs/dbraw/zinc/41/98/27/463419827.db2.gz VBBYNEGPFKUZMC-UHFFFAOYSA-N 2 2 331.807 2.369 20 30 EEEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000287281952 463856799 /nfs/dbraw/zinc/85/67/99/463856799.db2.gz CWSILPNBIPZWGA-UHFFFAOYSA-N 2 2 344.850 2.057 20 30 EEEDLP COc1cccc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000269794014 464097561 /nfs/dbraw/zinc/09/75/61/464097561.db2.gz AWCGVPNUWNXKJI-UHFFFAOYSA-N 2 2 343.427 2.473 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000221838620 464124188 /nfs/dbraw/zinc/12/41/88/464124188.db2.gz MTYPOHVNMHJLIH-ZIAGYGMSSA-N 2 2 341.440 2.328 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000221838620 464124196 /nfs/dbraw/zinc/12/41/96/464124196.db2.gz MTYPOHVNMHJLIH-ZIAGYGMSSA-N 2 2 341.440 2.328 20 30 EEEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N(CCC#N)c1ccccc1 ZINC000181091340 464443567 /nfs/dbraw/zinc/44/35/67/464443567.db2.gz UXNFHRVONWIHSA-UHFFFAOYSA-N 2 2 325.416 2.152 20 30 EEEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N(CCC#N)c1ccccc1 ZINC000181091340 464443571 /nfs/dbraw/zinc/44/35/71/464443571.db2.gz UXNFHRVONWIHSA-UHFFFAOYSA-N 2 2 325.416 2.152 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000596982435 468407486 /nfs/dbraw/zinc/40/74/86/468407486.db2.gz AXDLMSQZAFYYAF-UHFFFAOYSA-N 2 2 335.455 2.409 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000596982435 468407493 /nfs/dbraw/zinc/40/74/93/468407493.db2.gz AXDLMSQZAFYYAF-UHFFFAOYSA-N 2 2 335.455 2.409 20 30 EEEDLP CN(C(=O)NC[C@@H]1CCCn2cc[nH+]c21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329434491 465332891 /nfs/dbraw/zinc/33/28/91/465332891.db2.gz LEIWPNMUQNLIPY-LSVZVQIISA-N 2 2 331.464 2.232 20 30 EEEDLP CN(C(=O)NC[C@@H]1CCCn2cc[nH+]c21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329434491 465332893 /nfs/dbraw/zinc/33/28/93/465332893.db2.gz LEIWPNMUQNLIPY-LSVZVQIISA-N 2 2 331.464 2.232 20 30 EEEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330182424 465561054 /nfs/dbraw/zinc/56/10/54/465561054.db2.gz 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339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360621378 465584573 /nfs/dbraw/zinc/58/45/73/465584573.db2.gz XXPGEGXEGYMTBR-NQIIRXRSSA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360621378 465584579 /nfs/dbraw/zinc/58/45/79/465584579.db2.gz XXPGEGXEGYMTBR-NQIIRXRSSA-N 2 2 339.483 2.112 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(C)(C)CC#N)CC2)CC1 ZINC000422210301 466669292 /nfs/dbraw/zinc/66/92/92/466669292.db2.gz OSYXKMKIXATHJE-UHFFFAOYSA-N 2 2 349.523 2.128 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(C)(C)CC#N)CC2)CC1 ZINC000422210301 466669295 /nfs/dbraw/zinc/66/92/95/466669295.db2.gz OSYXKMKIXATHJE-UHFFFAOYSA-N 2 2 349.523 2.128 20 30 EEEDLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424128455 466984996 /nfs/dbraw/zinc/98/49/96/466984996.db2.gz FKNSHPYRMQMPCO-BFYDXBDKSA-N 2 2 344.459 2.255 20 30 EEEDLP 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C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000748816178 577967224 /nfs/dbraw/zinc/96/72/24/577967224.db2.gz GXRNRILOSXYJSX-HXUWFJFHSA-N 2 2 327.472 2.093 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000823919797 609140728 /nfs/dbraw/zinc/14/07/28/609140728.db2.gz RGBIFQDJAJSYEY-GFCCVEGCSA-N 2 2 330.411 2.307 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319241 675788007 /nfs/dbraw/zinc/78/80/07/675788007.db2.gz SEACAOGCMVBXCJ-CABCVRRESA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319241 675788009 /nfs/dbraw/zinc/78/80/09/675788009.db2.gz SEACAOGCMVBXCJ-CABCVRRESA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000971552030 676622077 /nfs/dbraw/zinc/62/20/77/676622077.db2.gz NBFDPPCWSDHHHA-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP 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PHKMJUAYNWFGEY-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCC2CCC2)CC1(C)C ZINC000974686505 685225081 /nfs/dbraw/zinc/22/50/81/685225081.db2.gz PHKMJUAYNWFGEY-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC(C)(C)C)CC1(C)C ZINC000974683009 685230577 /nfs/dbraw/zinc/23/05/77/685230577.db2.gz AOFCINXBCHMMEJ-IRXDYDNUSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC(C)(C)C)CC1(C)C ZINC000974683009 685230582 /nfs/dbraw/zinc/23/05/82/685230582.db2.gz AOFCINXBCHMMEJ-IRXDYDNUSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC(C)(C)C)CC1(C)C ZINC000974683009 685230586 /nfs/dbraw/zinc/23/05/86/685230586.db2.gz AOFCINXBCHMMEJ-IRXDYDNUSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC(C)(C)C)CC1(C)C ZINC000974683009 685230590 /nfs/dbraw/zinc/23/05/90/685230590.db2.gz AOFCINXBCHMMEJ-IRXDYDNUSA-N 2 2 333.520 2.347 20 30 EEEDLP 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ZINC001027470079 692261072 /nfs/dbraw/zinc/26/10/72/692261072.db2.gz IGSHNGPSDXOIRB-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027470079 692261076 /nfs/dbraw/zinc/26/10/76/692261076.db2.gz IGSHNGPSDXOIRB-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105574891 1188188837 /nfs/dbraw/zinc/18/88/37/1188188837.db2.gz LDVRWPVMEHKGMY-GOSISDBHSA-N 2 2 342.487 2.127 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001409455768 1189705056 /nfs/dbraw/zinc/70/50/56/1189705056.db2.gz QOJRKFGHYQQODK-AWEZNQCLSA-N 2 2 338.883 2.272 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033881426 1195437422 /nfs/dbraw/zinc/43/74/22/1195437422.db2.gz RAWUPYCAKJMIIC-CVEARBPZSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033881426 1195437426 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ZINC001103162905 1302361157 /nfs/dbraw/zinc/36/11/57/1302361157.db2.gz OYKGVJAFUJXJIC-KURKYZTESA-N 2 2 344.503 2.486 20 30 EEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001103533967 1303082869 /nfs/dbraw/zinc/08/28/69/1303082869.db2.gz LESKWTBSLYLLPJ-IAGOWNOFSA-N 2 2 340.471 2.445 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001103533967 1303082878 /nfs/dbraw/zinc/08/28/78/1303082878.db2.gz LESKWTBSLYLLPJ-IAGOWNOFSA-N 2 2 340.471 2.445 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCCC1 ZINC001115546587 1305318872 /nfs/dbraw/zinc/31/88/72/1305318872.db2.gz UBDDZCWYLQOJBV-QGZVFWFLSA-N 2 2 345.491 2.385 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCCC1 ZINC001115546587 1305318878 /nfs/dbraw/zinc/31/88/78/1305318878.db2.gz UBDDZCWYLQOJBV-QGZVFWFLSA-N 2 2 345.491 2.385 20 30 EEEDLP N#Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240361314 1309313050 /nfs/dbraw/zinc/31/30/50/1309313050.db2.gz WDAHPWVAUUELRU-NRFANRHFSA-N 3 2 332.451 2.445 20 30 EEEDLP N#Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240361314 1309313057 /nfs/dbraw/zinc/31/30/57/1309313057.db2.gz WDAHPWVAUUELRU-NRFANRHFSA-N 3 2 332.451 2.445 20 30 EEEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121271726 1309964678 /nfs/dbraw/zinc/96/46/78/1309964678.db2.gz MFSUKQJYNCDVDM-RFSHTEQGSA-N 2 2 328.460 2.121 20 30 EEEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001151351933 1316510626 /nfs/dbraw/zinc/51/06/26/1316510626.db2.gz LWTLVPFZLSKJCD-MRXNPFEDSA-N 2 2 348.491 2.152 20 30 EEEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001151351933 1316510632 /nfs/dbraw/zinc/51/06/32/1316510632.db2.gz LWTLVPFZLSKJCD-MRXNPFEDSA-N 2 2 348.491 2.152 20 30 EEEDLP CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386411 1316664528 /nfs/dbraw/zinc/66/45/28/1316664528.db2.gz HSMIGEQEIMZRQE-RDTXWAMCSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386411 1316664532 /nfs/dbraw/zinc/66/45/32/1316664532.db2.gz HSMIGEQEIMZRQE-RDTXWAMCSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[NH+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386411 1316664534 /nfs/dbraw/zinc/66/45/34/1316664534.db2.gz HSMIGEQEIMZRQE-RDTXWAMCSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[NH+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386411 1316664539 /nfs/dbraw/zinc/66/45/39/1316664539.db2.gz HSMIGEQEIMZRQE-RDTXWAMCSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942521 1318305832 /nfs/dbraw/zinc/30/58/32/1318305832.db2.gz WPNKVHDZMCIAJA-OAHLLOKOSA-N 2 2 339.443 2.090 20 30 EEEDLP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942521 1318305837 /nfs/dbraw/zinc/30/58/37/1318305837.db2.gz WPNKVHDZMCIAJA-OAHLLOKOSA-N 2 2 339.443 2.090 20 30 EEEDLP C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160951759 1320330183 /nfs/dbraw/zinc/33/01/83/1320330183.db2.gz OQAIENRMTTXREP-BEVDRBHNSA-N 2 2 348.450 2.337 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)(COC)CC1 ZINC001162553983 1320896452 /nfs/dbraw/zinc/89/64/52/1320896452.db2.gz VMEWPQMULAHRHK-MRXNPFEDSA-N 2 2 348.491 2.152 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001164596337 1321428490 /nfs/dbraw/zinc/42/84/90/1321428490.db2.gz FBMKWGWALMXCOE-KRWDZBQOSA-N 2 2 345.491 2.242 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001164596337 1321428492 /nfs/dbraw/zinc/42/84/92/1321428492.db2.gz FBMKWGWALMXCOE-KRWDZBQOSA-N 2 2 345.491 2.242 20 30 EEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553338 1323191360 /nfs/dbraw/zinc/19/13/60/1323191360.db2.gz UTIUOFZBGBYGIS-KRWDZBQOSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556202 1323191951 /nfs/dbraw/zinc/19/19/51/1323191951.db2.gz MRPQVDBWVPVPFS-INIZCTEOSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556202 1323191955 /nfs/dbraw/zinc/19/19/55/1323191955.db2.gz MRPQVDBWVPVPFS-INIZCTEOSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CC[NH2+]CC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001206587447 1323538909 /nfs/dbraw/zinc/53/89/09/1323538909.db2.gz GFAYONQVKGHFRK-UHFFFAOYSA-N 2 2 326.444 2.199 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001340389671 1337174282 /nfs/dbraw/zinc/17/42/82/1337174282.db2.gz HUKRHQPWJWJLBA-KRWDZBQOSA-N 2 2 346.523 2.399 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001340389671 1337174285 /nfs/dbraw/zinc/17/42/85/1337174285.db2.gz HUKRHQPWJWJLBA-KRWDZBQOSA-N 2 2 346.523 2.399 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201356185 1368807745 /nfs/dbraw/zinc/80/77/45/1368807745.db2.gz ISOBQFODTHIINX-HZPDHXFCSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001366781980 1374026774 /nfs/dbraw/zinc/02/67/74/1374026774.db2.gz IPPAYEGEGNFTTE-AWEZNQCLSA-N 2 2 338.883 2.322 20 30 EEEDLP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367417043 1374161405 /nfs/dbraw/zinc/16/14/05/1374161405.db2.gz BYQULABLNYZIMX-CYBMUJFWSA-N 2 2 345.472 2.206 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001390158707 1388470176 /nfs/dbraw/zinc/47/01/76/1388470176.db2.gz IKNQAEMGEHKMSJ-HUUCEWRRSA-N 2 2 338.883 2.322 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001390158707 1388470179 /nfs/dbraw/zinc/47/01/79/1388470179.db2.gz IKNQAEMGEHKMSJ-HUUCEWRRSA-N 2 2 338.883 2.322 20 30 EEEDLP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)CCC1 ZINC001391058984 1389005027 /nfs/dbraw/zinc/00/50/27/1389005027.db2.gz XGJPSIMAWAMVCT-SFHVURJKSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)CCC1 ZINC001391058984 1389005030 /nfs/dbraw/zinc/00/50/30/1389005030.db2.gz XGJPSIMAWAMVCT-SFHVURJKSA-N 2 2 340.471 2.123 20 30 EEEDLP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N)[NH+](C)C ZINC001399912267 1395637855 /nfs/dbraw/zinc/63/78/55/1395637855.db2.gz YCRIQYDIRBNPCF-RTBURBONSA-N 2 2 342.487 2.225 20 30 EEEDLP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C#N)[NH+](C)C ZINC001399912267 1395637862 /nfs/dbraw/zinc/63/78/62/1395637862.db2.gz YCRIQYDIRBNPCF-RTBURBONSA-N 2 2 342.487 2.225 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001403310242 1399755819 /nfs/dbraw/zinc/75/58/19/1399755819.db2.gz JOMMTDRLKSZVHR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001403310242 1399755824 /nfs/dbraw/zinc/75/58/24/1399755824.db2.gz JOMMTDRLKSZVHR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001403310242 1399755808 /nfs/dbraw/zinc/75/58/08/1399755808.db2.gz JOMMTDRLKSZVHR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001403310242 1399755812 /nfs/dbraw/zinc/75/58/12/1399755812.db2.gz JOMMTDRLKSZVHR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001422674323 1400116228 /nfs/dbraw/zinc/11/62/28/1400116228.db2.gz MFDWNISJCXBLLP-AWEZNQCLSA-N 2 2 326.872 2.476 20 30 EEEDLP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001755172596 1407186536 /nfs/dbraw/zinc/18/65/36/1407186536.db2.gz UXNZKFZJESXUKE-IBGZPJMESA-N 2 2 339.483 2.210 20 30 EEEDLP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001755172596 1407186539 /nfs/dbraw/zinc/18/65/39/1407186539.db2.gz UXNZKFZJESXUKE-IBGZPJMESA-N 2 2 339.483 2.210 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001755197796 1407206444 /nfs/dbraw/zinc/20/64/44/1407206444.db2.gz NHLDQDYWDXPEJT-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001755197796 1407206447 /nfs/dbraw/zinc/20/64/47/1407206447.db2.gz NHLDQDYWDXPEJT-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001755197796 1407206456 /nfs/dbraw/zinc/20/64/56/1407206456.db2.gz NHLDQDYWDXPEJT-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001755197796 1407206471 /nfs/dbraw/zinc/20/64/71/1407206471.db2.gz NHLDQDYWDXPEJT-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCc2sccc2C1 ZINC001115287921 1411004778 /nfs/dbraw/zinc/00/47/78/1411004778.db2.gz IJPAJFZRDGSRQL-MNZLEMJZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCc2sccc2C1 ZINC001115287921 1411004785 /nfs/dbraw/zinc/00/47/85/1411004785.db2.gz IJPAJFZRDGSRQL-MNZLEMJZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001115287921 1411004791 /nfs/dbraw/zinc/00/47/91/1411004791.db2.gz IJPAJFZRDGSRQL-MNZLEMJZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001115287921 1411004798 /nfs/dbraw/zinc/00/47/98/1411004798.db2.gz IJPAJFZRDGSRQL-MNZLEMJZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001167619744 760748214 /nfs/dbraw/zinc/74/82/14/760748214.db2.gz DGJGOXGTXVJEBL-UHFFFAOYSA-N 2 2 339.443 2.333 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315570 761603453 /nfs/dbraw/zinc/60/34/53/761603453.db2.gz DZLZNAAYRGHVSO-OLMNPRSZSA-N 2 2 330.476 2.442 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315570 761603456 /nfs/dbraw/zinc/60/34/56/761603456.db2.gz DZLZNAAYRGHVSO-OLMNPRSZSA-N 2 2 330.476 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087319970 761620746 /nfs/dbraw/zinc/62/07/46/761620746.db2.gz XBXLCCKFRUTTHE-BMFZPTHFSA-N 2 2 336.867 2.241 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087319970 761620750 /nfs/dbraw/zinc/62/07/50/761620750.db2.gz XBXLCCKFRUTTHE-BMFZPTHFSA-N 2 2 336.867 2.241 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538787 782654523 /nfs/dbraw/zinc/65/45/23/782654523.db2.gz WIGZLQBVFCKBGB-LPHOPBHVSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538787 782654527 /nfs/dbraw/zinc/65/45/27/782654527.db2.gz WIGZLQBVFCKBGB-LPHOPBHVSA-N 2 2 336.439 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089417464 768922942 /nfs/dbraw/zinc/92/29/42/768922942.db2.gz ZFPDYJNRIDLAHB-MRXNPFEDSA-N 2 2 331.460 2.426 20 30 EEEDLP 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)CC[C@@H]1c1ccccc1 ZINC001087430061 774768158 /nfs/dbraw/zinc/76/81/58/774768158.db2.gz UMFHTMGOAMLRMW-AQNXPRMDSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027943939 774780107 /nfs/dbraw/zinc/78/01/07/774780107.db2.gz PWMACOZTCZQZBW-ROUUACIJSA-N 2 2 345.512 2.235 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001027943939 774780113 /nfs/dbraw/zinc/78/01/13/774780113.db2.gz PWMACOZTCZQZBW-ROUUACIJSA-N 2 2 345.512 2.235 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027943939 774780116 /nfs/dbraw/zinc/78/01/16/774780116.db2.gz PWMACOZTCZQZBW-ROUUACIJSA-N 2 2 345.512 2.235 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027943939 774780119 /nfs/dbraw/zinc/78/01/19/774780119.db2.gz PWMACOZTCZQZBW-ROUUACIJSA-N 2 2 345.512 2.235 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001027971584 775436649 /nfs/dbraw/zinc/43/66/49/775436649.db2.gz HTHVDMZELVPLIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001027971584 775436660 /nfs/dbraw/zinc/43/66/60/775436660.db2.gz HTHVDMZELVPLIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027971584 775436671 /nfs/dbraw/zinc/43/66/71/775436671.db2.gz HTHVDMZELVPLIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027971584 775436681 /nfs/dbraw/zinc/43/66/81/775436681.db2.gz HTHVDMZELVPLIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089801859 775827948 /nfs/dbraw/zinc/82/79/48/775827948.db2.gz BFLMOYCTCOXPSM-YVSFHVDLSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089801859 775827955 /nfs/dbraw/zinc/82/79/55/775827955.db2.gz BFLMOYCTCOXPSM-YVSFHVDLSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821424 776981564 /nfs/dbraw/zinc/98/15/64/776981564.db2.gz SXQWMFAYOPBFDR-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821424 776981570 /nfs/dbraw/zinc/98/15/70/776981570.db2.gz SXQWMFAYOPBFDR-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089821424 776981575 /nfs/dbraw/zinc/98/15/75/776981575.db2.gz SXQWMFAYOPBFDR-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089821424 776981579 /nfs/dbraw/zinc/98/15/79/776981579.db2.gz SXQWMFAYOPBFDR-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981437406 777409311 /nfs/dbraw/zinc/40/93/11/777409311.db2.gz SKQUCGZXTCUECR-GJZGRUSLSA-N 2 2 325.416 2.084 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cc[nH+]c2)C1 ZINC001089841704 777725707 /nfs/dbraw/zinc/72/57/07/777725707.db2.gz ANJGCCFPNULJTE-VJANTYMQSA-N 2 2 342.487 2.408 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cc[nH+]c2)C1 ZINC001089841704 777725718 /nfs/dbraw/zinc/72/57/18/777725718.db2.gz ANJGCCFPNULJTE-VJANTYMQSA-N 2 2 342.487 2.408 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087453389 780856809 /nfs/dbraw/zinc/85/68/09/780856809.db2.gz QIFWIXPNWYTZCO-QRVBRYPASA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087453389 780856814 /nfs/dbraw/zinc/85/68/14/780856814.db2.gz QIFWIXPNWYTZCO-QRVBRYPASA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087453389 780856817 /nfs/dbraw/zinc/85/68/17/780856817.db2.gz QIFWIXPNWYTZCO-QRVBRYPASA-N 2 2 345.462 2.380 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC001035198345 784035155 /nfs/dbraw/zinc/03/51/55/784035155.db2.gz HUXOEJBXXOIPRX-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC001035198345 784035158 /nfs/dbraw/zinc/03/51/58/784035158.db2.gz HUXOEJBXXOIPRX-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1C#N ZINC001135775009 784402986 /nfs/dbraw/zinc/40/29/86/784402986.db2.gz RVWKYDTVNAYULD-OLZOCXBDSA-N 2 2 343.406 2.036 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135792059 784439875 /nfs/dbraw/zinc/43/98/75/784439875.db2.gz CVRHESGBPFGOCH-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035798032 785150082 /nfs/dbraw/zinc/15/00/82/785150082.db2.gz KHPKCHVTMQYRLD-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035798032 785150086 /nfs/dbraw/zinc/15/00/86/785150086.db2.gz KHPKCHVTMQYRLD-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995976635 785883807 /nfs/dbraw/zinc/88/38/07/785883807.db2.gz DEIKZULKXLMDOE-DZGCQCFKSA-N 2 2 336.867 2.025 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001036304369 786177844 /nfs/dbraw/zinc/17/78/44/786177844.db2.gz PPZLPJNOIFPUFM-GDBMZVCRSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001036304369 786177851 /nfs/dbraw/zinc/17/78/51/786177851.db2.gz PPZLPJNOIFPUFM-GDBMZVCRSA-N 2 2 333.501 2.119 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772794 787249555 /nfs/dbraw/zinc/24/95/55/787249555.db2.gz LKKCLHAYYDJQNQ-KRWDZBQOSA-N 2 2 335.496 2.466 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772794 787249561 /nfs/dbraw/zinc/24/95/61/787249561.db2.gz LKKCLHAYYDJQNQ-KRWDZBQOSA-N 2 2 335.496 2.466 20 30 EEEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@]2(CCOC2)C1 ZINC000158017714 790115834 /nfs/dbraw/zinc/11/58/34/790115834.db2.gz ZUVILPCKKGOHDJ-IBGZPJMESA-N 2 2 339.443 2.060 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050374 791885482 /nfs/dbraw/zinc/88/54/82/791885482.db2.gz HCUPWECBYCHCAT-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050374 791885489 /nfs/dbraw/zinc/88/54/89/791885489.db2.gz HCUPWECBYCHCAT-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001148850956 792746025 /nfs/dbraw/zinc/74/60/25/792746025.db2.gz NDTIJMBOLMEOIA-GOSISDBHSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001148850956 792746032 /nfs/dbraw/zinc/74/60/32/792746032.db2.gz NDTIJMBOLMEOIA-GOSISDBHSA-N 2 2 342.487 2.185 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036783313 794985671 /nfs/dbraw/zinc/98/56/71/794985671.db2.gz XYSZCHLOKSGSDL-MJGOQNOKSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036783313 794985678 /nfs/dbraw/zinc/98/56/78/794985678.db2.gz XYSZCHLOKSGSDL-MJGOQNOKSA-N 2 2 334.423 2.042 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001079735673 795150847 /nfs/dbraw/zinc/15/08/47/795150847.db2.gz AUGKOOBDDSPPAE-OLMNPRSZSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001079735673 795150851 /nfs/dbraw/zinc/15/08/51/795150851.db2.gz AUGKOOBDDSPPAE-OLMNPRSZSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001079735673 795150855 /nfs/dbraw/zinc/15/08/55/795150855.db2.gz AUGKOOBDDSPPAE-OLMNPRSZSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001079735673 795150857 /nfs/dbraw/zinc/15/08/57/795150857.db2.gz AUGKOOBDDSPPAE-OLMNPRSZSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993587 795441697 /nfs/dbraw/zinc/44/16/97/795441697.db2.gz QXGOGTGPRPHBND-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993587 795441700 /nfs/dbraw/zinc/44/17/00/795441700.db2.gz QXGOGTGPRPHBND-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993587 795441704 /nfs/dbraw/zinc/44/17/04/795441704.db2.gz QXGOGTGPRPHBND-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993587 795441708 /nfs/dbraw/zinc/44/17/08/795441708.db2.gz QXGOGTGPRPHBND-QIIPPGSGSA-N 2 2 330.476 2.226 20 30 EEEDLP 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C#CC[N@@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000490935251 468271022 /nfs/dbraw/zinc/27/10/22/468271022.db2.gz LXKIRHJUHCPRIZ-HKUYNNGSSA-N 2 2 348.450 2.316 20 30 EEEDLP C#CC[N@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000490935251 468271026 /nfs/dbraw/zinc/27/10/26/468271026.db2.gz LXKIRHJUHCPRIZ-HKUYNNGSSA-N 2 2 348.450 2.316 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000057153825 463457985 /nfs/dbraw/zinc/45/79/85/463457985.db2.gz WBLXTUVUZYXIEL-UHFFFAOYSA-N 2 2 338.455 2.196 20 30 EEEDLP COc1ccc(CNC(=[NH2+])NCCCNc2cccc[nH+]2)cc1OC ZINC000170905295 463738529 /nfs/dbraw/zinc/73/85/29/463738529.db2.gz KYOLXDNMVLWUKP-UHFFFAOYSA-N 2 2 343.431 2.005 20 30 EEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000285149251 464468875 /nfs/dbraw/zinc/46/88/75/464468875.db2.gz PCRGJLJSJBOMNG-FMJMRLDVSA-N 2 2 340.471 2.292 20 30 EEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000285149251 464468879 /nfs/dbraw/zinc/46/88/79/464468879.db2.gz PCRGJLJSJBOMNG-FMJMRLDVSA-N 2 2 340.471 2.292 20 30 EEEDLP Cc1oc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C#N)c1C ZINC000265460383 464567727 /nfs/dbraw/zinc/56/77/27/464567727.db2.gz FJHFHOHHRZWDHH-UHFFFAOYSA-N 2 2 327.388 2.309 20 30 EEEDLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000282867907 464982578 /nfs/dbraw/zinc/98/25/78/464982578.db2.gz XTXVFJMEVXBZOU-KRWDZBQOSA-N 2 2 329.444 2.111 20 30 EEEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCCCC1 ZINC000330172899 465557902 /nfs/dbraw/zinc/55/79/02/465557902.db2.gz GVGJDBTWUSYRQG-HNNXBMFYSA-N 2 2 333.480 2.356 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)CCO1 ZINC000330320366 465612337 /nfs/dbraw/zinc/61/23/37/465612337.db2.gz FACGWXAXGOSDNI-NFAWXSAZSA-N 2 2 338.477 2.034 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CCO1 ZINC000330320366 465612343 /nfs/dbraw/zinc/61/23/43/465612343.db2.gz FACGWXAXGOSDNI-NFAWXSAZSA-N 2 2 338.477 2.034 20 30 EEEDLP Cc1sc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C#N)c1C ZINC000331197867 465977494 /nfs/dbraw/zinc/97/74/94/465977494.db2.gz LZZPIUQEVWEKRA-UHFFFAOYSA-N 2 2 334.489 2.449 20 30 EEEDLP CN(c1ncc(C#N)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363178975 466266297 /nfs/dbraw/zinc/26/62/97/466266297.db2.gz BFYPNIIGUDSNQJ-OAHLLOKOSA-N 2 2 333.867 2.211 20 30 EEEDLP CN(c1ncc(C#N)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363178975 466266303 /nfs/dbraw/zinc/26/63/03/466266303.db2.gz BFYPNIIGUDSNQJ-OAHLLOKOSA-N 2 2 333.867 2.211 20 30 EEEDLP C=CCC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000367616979 466451521 /nfs/dbraw/zinc/45/15/21/466451521.db2.gz MTXBCEBHOGBWNS-QZTJIDSGSA-N 2 2 333.476 2.283 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000374714401 466722889 /nfs/dbraw/zinc/72/28/89/466722889.db2.gz HAZSJIPSSVYKEC-WBVHZDCISA-N 2 2 328.522 2.220 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(C#N)cc3F)CC2)CC1 ZINC000420625174 467436710 /nfs/dbraw/zinc/43/67/10/467436710.db2.gz KLVUPIBVFOWHHV-UHFFFAOYSA-N 2 2 331.439 2.089 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(C#N)cc3F)CC2)CC1 ZINC000420625174 467436712 /nfs/dbraw/zinc/43/67/12/467436712.db2.gz KLVUPIBVFOWHHV-UHFFFAOYSA-N 2 2 331.439 2.089 20 30 EEEDLP CO[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449463724 467649039 /nfs/dbraw/zinc/64/90/39/467649039.db2.gz XKHLDICMRQWVAO-QUCCMNQESA-N 2 2 343.471 2.164 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483421162 468008099 /nfs/dbraw/zinc/00/80/99/468008099.db2.gz UDLKWPCAUKQEOQ-MOPGFXCFSA-N 2 2 348.535 2.378 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483421162 468008102 /nfs/dbraw/zinc/00/81/02/468008102.db2.gz UDLKWPCAUKQEOQ-MOPGFXCFSA-N 2 2 348.535 2.378 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000566017915 468141392 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20 30 EEEDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426622 469392794 /nfs/dbraw/zinc/39/27/94/469392794.db2.gz CDLUEDHIIRMEGN-FXAWDEMLSA-N 2 2 342.487 2.005 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974753700 685403475 /nfs/dbraw/zinc/40/34/75/685403475.db2.gz QVILTOVHXKYWFT-DOTOQJQBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974753700 685403477 /nfs/dbraw/zinc/40/34/77/685403477.db2.gz QVILTOVHXKYWFT-DOTOQJQBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024756360 681418289 /nfs/dbraw/zinc/41/82/89/681418289.db2.gz QCHZONDURFPTFU-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024756360 681418293 /nfs/dbraw/zinc/41/82/93/681418293.db2.gz QCHZONDURFPTFU-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763136 681424070 /nfs/dbraw/zinc/42/40/70/681424070.db2.gz BCBXKBYPYZPDAJ-AWEZNQCLSA-N 2 2 336.867 2.484 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763136 681424075 /nfs/dbraw/zinc/42/40/75/681424075.db2.gz BCBXKBYPYZPDAJ-AWEZNQCLSA-N 2 2 336.867 2.484 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025288284 682395064 /nfs/dbraw/zinc/39/50/64/682395064.db2.gz KIOAVDYCVVBEEO-HZPDHXFCSA-N 2 2 328.460 2.166 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025288284 682395068 /nfs/dbraw/zinc/39/50/68/682395068.db2.gz KIOAVDYCVVBEEO-HZPDHXFCSA-N 2 2 328.460 2.166 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000992789520 683450784 /nfs/dbraw/zinc/45/07/84/683450784.db2.gz NWAOIVRSFSOWRX-OWCLPIDISA-N 2 2 336.867 2.242 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033880231 1195435482 /nfs/dbraw/zinc/43/54/82/1195435482.db2.gz JSECVISRVWLMTJ-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033880231 1195435484 /nfs/dbraw/zinc/43/54/84/1195435484.db2.gz JSECVISRVWLMTJ-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033881464 1195438124 /nfs/dbraw/zinc/43/81/24/1195438124.db2.gz RAWUPYCAKJMIIC-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033881464 1195438129 /nfs/dbraw/zinc/43/81/29/1195438129.db2.gz RAWUPYCAKJMIIC-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033881464 1195438133 /nfs/dbraw/zinc/43/81/33/1195438133.db2.gz RAWUPYCAKJMIIC-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033881464 1195438136 /nfs/dbraw/zinc/43/81/36/1195438136.db2.gz RAWUPYCAKJMIIC-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C[C@@H](CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001134495368 1199622725 /nfs/dbraw/zinc/62/27/25/1199622725.db2.gz XNVOUKXTHNODBR-HNNXBMFYSA-N 2 2 344.846 2.245 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544964 1199646227 /nfs/dbraw/zinc/64/62/27/1199646227.db2.gz KLPACXGYTJHXKW-CHWSQXEVSA-N 2 2 345.472 2.349 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544964 1199646228 /nfs/dbraw/zinc/64/62/28/1199646228.db2.gz KLPACXGYTJHXKW-CHWSQXEVSA-N 2 2 345.472 2.349 20 30 EEEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001133426676 1200897734 /nfs/dbraw/zinc/89/77/34/1200897734.db2.gz AOJMITGNAMKVCP-UHFFFAOYSA-N 2 2 332.835 2.341 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)c1 ZINC001275268392 1205294974 /nfs/dbraw/zinc/29/49/74/1205294974.db2.gz GIJDZJMRCAXLIO-HXUWFJFHSA-N 2 2 349.438 2.022 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)c1 ZINC001275268392 1205294976 /nfs/dbraw/zinc/29/49/76/1205294976.db2.gz GIJDZJMRCAXLIO-HXUWFJFHSA-N 2 2 349.438 2.022 20 30 EEEDLP Cc1c[nH]c(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)n1 ZINC001275684522 1205484364 /nfs/dbraw/zinc/48/43/64/1205484364.db2.gz FZTIUQSYUFEVLY-UHFFFAOYSA-N 2 2 338.459 2.026 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767151 1209361311 /nfs/dbraw/zinc/36/13/11/1209361311.db2.gz RFDQAMIFVVDLPO-HOTGVXAUSA-N 2 2 328.460 2.166 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767151 1209361314 /nfs/dbraw/zinc/36/13/14/1209361314.db2.gz RFDQAMIFVVDLPO-HOTGVXAUSA-N 2 2 328.460 2.166 20 30 EEEDLP COc1ccc([C@@H](CNC(=[NH2+])NCC2CCC2)[NH+](C)C)cc1OC ZINC000303775980 1213905547 /nfs/dbraw/zinc/90/55/47/1213905547.db2.gz HIKFHEPMPDTAOL-OAHLLOKOSA-N 2 2 334.464 2.011 20 30 EEEDLP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000964166580 1218251036 /nfs/dbraw/zinc/25/10/36/1218251036.db2.gz KJOHXAMEXXTMGC-UHFFFAOYSA-N 2 2 339.443 2.426 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038258095 1229707965 /nfs/dbraw/zinc/70/79/65/1229707965.db2.gz CYUJHZOTTPNLHT-RBUKOAKNSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038258095 1229707967 /nfs/dbraw/zinc/70/79/67/1229707967.db2.gz CYUJHZOTTPNLHT-RBUKOAKNSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038258095 1229707972 /nfs/dbraw/zinc/70/79/72/1229707972.db2.gz CYUJHZOTTPNLHT-RBUKOAKNSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038258095 1229707975 /nfs/dbraw/zinc/70/79/75/1229707975.db2.gz CYUJHZOTTPNLHT-RBUKOAKNSA-N 2 2 340.471 2.122 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001039174067 1230400340 /nfs/dbraw/zinc/40/03/40/1230400340.db2.gz MEWUSTUBIKNIMW-QGZVFWFLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001039174067 1230400342 /nfs/dbraw/zinc/40/03/42/1230400342.db2.gz MEWUSTUBIKNIMW-QGZVFWFLSA-N 2 2 330.476 2.099 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039209463 1230436832 /nfs/dbraw/zinc/43/68/32/1230436832.db2.gz JHSQFZGTGMVFSL-AEFFLSMTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039209463 1230436835 /nfs/dbraw/zinc/43/68/35/1230436835.db2.gz JHSQFZGTGMVFSL-AEFFLSMTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039209463 1230436838 /nfs/dbraw/zinc/43/68/38/1230436838.db2.gz JHSQFZGTGMVFSL-AEFFLSMTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039209463 1230436841 /nfs/dbraw/zinc/43/68/41/1230436841.db2.gz JHSQFZGTGMVFSL-AEFFLSMTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C/C=C\Cl)CC1 ZINC001040014366 1230964399 /nfs/dbraw/zinc/96/43/99/1230964399.db2.gz JVBQEBMCOITMLH-RVZDDTCCSA-N 2 2 349.906 2.149 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C/C=C\Cl)CC1 ZINC001040014366 1230964402 /nfs/dbraw/zinc/96/44/02/1230964402.db2.gz JVBQEBMCOITMLH-RVZDDTCCSA-N 2 2 349.906 2.149 20 30 EEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001040222769 1231112035 /nfs/dbraw/zinc/11/20/35/1231112035.db2.gz HLBCKUJFHMJMIS-FQEVSTJZSA-N 2 2 342.487 2.262 20 30 EEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001040222769 1231112037 /nfs/dbraw/zinc/11/20/37/1231112037.db2.gz HLBCKUJFHMJMIS-FQEVSTJZSA-N 2 2 342.487 2.262 20 30 EEEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001040752311 1231358046 /nfs/dbraw/zinc/35/80/46/1231358046.db2.gz FMOIFFCJUPSVAL-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868771 1231391709 /nfs/dbraw/zinc/39/17/09/1231391709.db2.gz YJZDWQBSIDNGFI-QGZVFWFLSA-N 2 2 328.460 2.172 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041418794 1231538948 /nfs/dbraw/zinc/53/89/48/1231538948.db2.gz OUAJBFVLOXSVNV-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041418794 1231538950 /nfs/dbraw/zinc/53/89/50/1231538950.db2.gz OUAJBFVLOXSVNV-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041811647 1231708744 /nfs/dbraw/zinc/70/87/44/1231708744.db2.gz QUYSBZKSWVONHL-LJQANCHMSA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041811647 1231708746 /nfs/dbraw/zinc/70/87/46/1231708746.db2.gz QUYSBZKSWVONHL-LJQANCHMSA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC001044816399 1233286719 /nfs/dbraw/zinc/28/67/19/1233286719.db2.gz KISOFIZIAZERCY-LSDHHAIUSA-N 2 2 325.416 2.036 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045948012 1234211011 /nfs/dbraw/zinc/21/10/11/1234211011.db2.gz SBWDZEVAOWAORW-HXUWFJFHSA-N 2 2 342.487 2.264 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045948012 1234211013 /nfs/dbraw/zinc/21/10/13/1234211013.db2.gz SBWDZEVAOWAORW-HXUWFJFHSA-N 2 2 342.487 2.264 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046941797 1235334220 /nfs/dbraw/zinc/33/42/20/1235334220.db2.gz QDRNWORULVTRTM-MGPQQGTHSA-N 2 2 349.853 2.153 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046941797 1235334225 /nfs/dbraw/zinc/33/42/25/1235334225.db2.gz QDRNWORULVTRTM-MGPQQGTHSA-N 2 2 349.853 2.153 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046941797 1235334230 /nfs/dbraw/zinc/33/42/30/1235334230.db2.gz QDRNWORULVTRTM-MGPQQGTHSA-N 2 2 349.853 2.153 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046941797 1235334236 /nfs/dbraw/zinc/33/42/36/1235334236.db2.gz QDRNWORULVTRTM-MGPQQGTHSA-N 2 2 349.853 2.153 20 30 EEEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001046969855 1235372056 /nfs/dbraw/zinc/37/20/56/1235372056.db2.gz FFUYOMPDGMLFHG-CQSZACIVSA-N 2 2 341.402 2.214 20 30 EEEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001046969855 1235372060 /nfs/dbraw/zinc/37/20/60/1235372060.db2.gz FFUYOMPDGMLFHG-CQSZACIVSA-N 2 2 341.402 2.214 20 30 EEEDLP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047257287 1235761930 /nfs/dbraw/zinc/76/19/30/1235761930.db2.gz JGCOMJLRQRQFKE-WMZOPIPTSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047257287 1235761934 /nfs/dbraw/zinc/76/19/34/1235761934.db2.gz JGCOMJLRQRQFKE-WMZOPIPTSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258038 1235762754 /nfs/dbraw/zinc/76/27/54/1235762754.db2.gz VRJIWTBNYDHIJP-HKUYNNGSSA-N 2 2 342.487 2.418 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001049483439 1241093766 /nfs/dbraw/zinc/09/37/66/1241093766.db2.gz XGYKAXKWFIDXNF-ZWKOTPCHSA-N 2 2 342.487 2.403 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001049483439 1241093774 /nfs/dbraw/zinc/09/37/74/1241093774.db2.gz XGYKAXKWFIDXNF-ZWKOTPCHSA-N 2 2 342.487 2.403 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557860 1241409135 /nfs/dbraw/zinc/40/91/35/1241409135.db2.gz KWZWIDCZJYBCQY-RCCFBDPRSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557860 1241409142 /nfs/dbraw/zinc/40/91/42/1241409142.db2.gz KWZWIDCZJYBCQY-RCCFBDPRSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001049561396 1241422777 /nfs/dbraw/zinc/42/27/77/1241422777.db2.gz KPOTWIZOTNHLMT-KFKAGJAMSA-N 2 2 342.487 2.464 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001049561396 1241422785 /nfs/dbraw/zinc/42/27/85/1241422785.db2.gz KPOTWIZOTNHLMT-KFKAGJAMSA-N 2 2 342.487 2.464 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001049561396 1241422790 /nfs/dbraw/zinc/42/27/90/1241422790.db2.gz KPOTWIZOTNHLMT-KFKAGJAMSA-N 2 2 342.487 2.464 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001049561396 1241422798 /nfs/dbraw/zinc/42/27/98/1241422798.db2.gz KPOTWIZOTNHLMT-KFKAGJAMSA-N 2 2 342.487 2.464 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053049895 1245769125 /nfs/dbraw/zinc/76/91/25/1245769125.db2.gz AWIVCOQMFQKSDH-IRXDYDNUSA-N 2 2 330.476 2.397 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053049895 1245769132 /nfs/dbraw/zinc/76/91/32/1245769132.db2.gz AWIVCOQMFQKSDH-IRXDYDNUSA-N 2 2 330.476 2.397 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053051396 1245772751 /nfs/dbraw/zinc/77/27/51/1245772751.db2.gz OIYDJKUAFUUDGW-ZWKOTPCHSA-N 2 2 342.487 2.235 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053051396 1245772758 /nfs/dbraw/zinc/77/27/58/1245772758.db2.gz OIYDJKUAFUUDGW-ZWKOTPCHSA-N 2 2 342.487 2.235 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086388 1245861680 /nfs/dbraw/zinc/86/16/80/1245861680.db2.gz CNKUAWYAVWWUPV-IEBWSBKVSA-N 2 2 342.487 2.459 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086388 1245861688 /nfs/dbraw/zinc/86/16/88/1245861688.db2.gz CNKUAWYAVWWUPV-IEBWSBKVSA-N 2 2 342.487 2.459 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086388 1245861698 /nfs/dbraw/zinc/86/16/98/1245861698.db2.gz CNKUAWYAVWWUPV-IEBWSBKVSA-N 2 2 342.487 2.459 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086388 1245861706 /nfs/dbraw/zinc/86/17/06/1245861706.db2.gz CNKUAWYAVWWUPV-IEBWSBKVSA-N 2 2 342.487 2.459 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CCO2 ZINC001053505593 1246409829 /nfs/dbraw/zinc/40/98/29/1246409829.db2.gz ZREZCXDTDDMSHI-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CCO2 ZINC001053505593 1246409831 /nfs/dbraw/zinc/40/98/31/1246409831.db2.gz ZREZCXDTDDMSHI-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C 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ZINC000566415795 468150769 /nfs/dbraw/zinc/15/07/69/468150769.db2.gz FRXCQRLHJOCZEB-WMLDXEAASA-N 2 2 328.403 2.111 20 30 EEEDLP C[NH+](C)CCC[N@H+](C)CCn1cc(CC2(C#N)CCCCC2)nn1 ZINC000600976942 468704230 /nfs/dbraw/zinc/70/42/30/468704230.db2.gz XMSQMYBLJGNEBB-UHFFFAOYSA-N 2 2 332.496 2.178 20 30 EEEDLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CC2(C#N)CCCCC2)nn1 ZINC000600976942 468704235 /nfs/dbraw/zinc/70/42/35/468704235.db2.gz XMSQMYBLJGNEBB-UHFFFAOYSA-N 2 2 332.496 2.178 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505358 468880341 /nfs/dbraw/zinc/88/03/41/468880341.db2.gz SBRSPTZPGVWLSL-KXBFYZLASA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505358 468880343 /nfs/dbraw/zinc/88/03/43/468880343.db2.gz SBRSPTZPGVWLSL-KXBFYZLASA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505358 468880347 /nfs/dbraw/zinc/88/03/47/468880347.db2.gz 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C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943645554 1192435968 /nfs/dbraw/zinc/43/59/68/1192435968.db2.gz FGUNHIQOTYKYBB-WMZOPIPTSA-N 2 2 338.455 2.035 20 30 EEEDLP C#CCCCCCC[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000876990102 1199838592 /nfs/dbraw/zinc/83/85/92/1199838592.db2.gz PPLHYPJJYAOCNZ-UHFFFAOYSA-N 2 2 342.487 2.294 20 30 EEEDLP COCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940289 1205211039 /nfs/dbraw/zinc/21/10/39/1205211039.db2.gz XQAVUYWSTJJQDI-LJQANCHMSA-N 2 2 330.476 2.221 20 30 EEEDLP COCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940289 1205211042 /nfs/dbraw/zinc/21/10/42/1205211042.db2.gz XQAVUYWSTJJQDI-LJQANCHMSA-N 2 2 330.476 2.221 20 30 EEEDLP COCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940289 1205211044 /nfs/dbraw/zinc/21/10/44/1205211044.db2.gz XQAVUYWSTJJQDI-LJQANCHMSA-N 2 2 330.476 2.221 20 30 EEEDLP COCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274940289 1205211047 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STRJOIWRAVSCJE-OAHLLOKOSA-N 2 2 330.476 2.418 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CCCCC1 ZINC001115605012 1305489761 /nfs/dbraw/zinc/48/97/61/1305489761.db2.gz STRJOIWRAVSCJE-OAHLLOKOSA-N 2 2 330.476 2.418 20 30 EEEDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(C#N)cc1 ZINC001139324411 1314731537 /nfs/dbraw/zinc/73/15/37/1314731537.db2.gz ZOZGPQPMLBTRHM-UHFFFAOYSA-N 2 2 341.484 2.399 20 30 EEEDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(C#N)cc1 ZINC001139324411 1314731539 /nfs/dbraw/zinc/73/15/39/1314731539.db2.gz ZOZGPQPMLBTRHM-UHFFFAOYSA-N 2 2 341.484 2.399 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001150282296 1316225239 /nfs/dbraw/zinc/22/52/39/1316225239.db2.gz KIIMYYFJDBQALU-JKSUJKDBSA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001150282296 1316225241 /nfs/dbraw/zinc/22/52/41/1316225241.db2.gz KIIMYYFJDBQALU-JKSUJKDBSA-N 2 2 346.475 2.003 20 30 EEEDLP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508523 1316283730 /nfs/dbraw/zinc/28/37/30/1316283730.db2.gz VGKGJONHVWCKLR-INIZCTEOSA-N 2 2 336.480 2.130 20 30 EEEDLP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508523 1316283736 /nfs/dbraw/zinc/28/37/36/1316283736.db2.gz VGKGJONHVWCKLR-INIZCTEOSA-N 2 2 336.480 2.130 20 30 EEEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252988800 1317747166 /nfs/dbraw/zinc/74/71/66/1317747166.db2.gz JSZIZIIDQPZXFN-IRXDYDNUSA-N 2 2 338.496 2.287 20 30 EEEDLP N#CC1CCC([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001256968771 1318907460 /nfs/dbraw/zinc/90/74/60/1318907460.db2.gz MIPQCJSMDGARJY-UHFFFAOYSA-N 2 2 342.491 2.204 20 30 EEEDLP N#CC1CCC([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001256968771 1318907461 /nfs/dbraw/zinc/90/74/61/1318907461.db2.gz MIPQCJSMDGARJY-UHFFFAOYSA-N 2 2 342.491 2.204 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CC#Cc3ccccc3)ccn12 ZINC001158062273 1318990268 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MIDVOPVOLCAELK-OALUTQOASA-N 2 2 342.487 2.225 20 30 EEEDLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001391628571 1389482691 /nfs/dbraw/zinc/48/26/91/1389482691.db2.gz ZRVUVLQOYRMXGL-AEFFLSMTSA-N 2 2 346.450 2.070 20 30 EEEDLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001391628571 1389482695 /nfs/dbraw/zinc/48/26/95/1389482695.db2.gz ZRVUVLQOYRMXGL-AEFFLSMTSA-N 2 2 346.450 2.070 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001398226041 1391912004 /nfs/dbraw/zinc/91/20/04/1391912004.db2.gz FOKOBZQCSTVFFB-WMZOPIPTSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001398226041 1391912009 /nfs/dbraw/zinc/91/20/09/1391912009.db2.gz FOKOBZQCSTVFFB-WMZOPIPTSA-N 2 2 346.450 2.118 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001398247827 1392055650 /nfs/dbraw/zinc/05/56/50/1392055650.db2.gz HAEONYOKZSBINK-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001398247827 1392055705 /nfs/dbraw/zinc/05/57/05/1392055705.db2.gz HAEONYOKZSBINK-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001398247827 1392055765 /nfs/dbraw/zinc/05/57/65/1392055765.db2.gz HAEONYOKZSBINK-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCC1 ZINC001753748570 1406771302 /nfs/dbraw/zinc/77/13/02/1406771302.db2.gz QNTYCKRXBFFABK-KURKYZTESA-N 2 2 342.487 2.202 20 30 EEEDLP CN(CCC[N@H+](C)Cc1ccccc1C#N)C(=O)CCn1cc[nH+]c1 ZINC001424321266 1401060152 /nfs/dbraw/zinc/06/01/52/1401060152.db2.gz NRIMLUHFJFPEKQ-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP CN(CCC[N@@H+](C)Cc1ccccc1C#N)C(=O)CCn1cc[nH+]c1 ZINC001424321266 1401060160 /nfs/dbraw/zinc/06/01/60/1401060160.db2.gz NRIMLUHFJFPEKQ-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755366319 1407367467 /nfs/dbraw/zinc/36/74/67/1407367467.db2.gz PFLQAEMMRBKMDQ-KRWDZBQOSA-N 2 2 330.476 2.311 20 30 EEEDLP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755366319 1407367473 /nfs/dbraw/zinc/36/74/73/1407367473.db2.gz PFLQAEMMRBKMDQ-KRWDZBQOSA-N 2 2 330.476 2.311 20 30 EEEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001755888294 1407950246 /nfs/dbraw/zinc/95/02/46/1407950246.db2.gz UGOXXTWZBSZASD-OAHLLOKOSA-N 2 2 331.863 2.167 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001755888294 1407950254 /nfs/dbraw/zinc/95/02/54/1407950254.db2.gz UGOXXTWZBSZASD-OAHLLOKOSA-N 2 2 331.863 2.167 20 30 EEEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202633 758234219 /nfs/dbraw/zinc/23/42/19/758234219.db2.gz NFRJXKIAWBKIPL-JKSUJKDBSA-N 2 2 330.476 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420457 768952106 /nfs/dbraw/zinc/95/21/06/768952106.db2.gz MRFMQCRJCJXFFJ-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420457 768952115 /nfs/dbraw/zinc/95/21/15/768952115.db2.gz MRFMQCRJCJXFFJ-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089492180 769833458 /nfs/dbraw/zinc/83/34/58/769833458.db2.gz CWGUMPCONRXYNJ-GVDBMIGSSA-N 2 2 342.487 2.154 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089492180 769833469 /nfs/dbraw/zinc/83/34/69/769833469.db2.gz CWGUMPCONRXYNJ-GVDBMIGSSA-N 2 2 342.487 2.154 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089658952 774056457 /nfs/dbraw/zinc/05/64/57/774056457.db2.gz PSZYJFRWIRZSDD-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089658952 774056466 /nfs/dbraw/zinc/05/64/66/774056466.db2.gz PSZYJFRWIRZSDD-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001031816999 776341552 /nfs/dbraw/zinc/34/15/52/776341552.db2.gz NBQCOMSEZBGQFY-UHFFFAOYSA-N 2 2 345.406 2.068 20 30 EEEDLP CC(C)[C@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC000981898649 778499274 /nfs/dbraw/zinc/49/92/74/778499274.db2.gz OYTDIGOQBCZCDO-HXUWFJFHSA-N 2 2 341.499 2.159 20 30 EEEDLP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC000981898649 778499279 /nfs/dbraw/zinc/49/92/79/778499279.db2.gz OYTDIGOQBCZCDO-HXUWFJFHSA-N 2 2 341.499 2.159 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131826177 783288590 /nfs/dbraw/zinc/28/85/90/783288590.db2.gz YVAFLOKXGMLNDI-SFHVURJKSA-N 2 2 339.524 2.164 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131826177 783288597 /nfs/dbraw/zinc/28/85/97/783288597.db2.gz YVAFLOKXGMLNDI-SFHVURJKSA-N 2 2 339.524 2.164 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561459 787645670 /nfs/dbraw/zinc/64/56/70/787645670.db2.gz KRPBPVZTRVAXFZ-YQVWRLOYSA-N 2 2 328.460 2.218 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561459 787645675 /nfs/dbraw/zinc/64/56/75/787645675.db2.gz KRPBPVZTRVAXFZ-YQVWRLOYSA-N 2 2 328.460 2.218 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]cn1C ZINC001089900206 788885339 /nfs/dbraw/zinc/88/53/39/788885339.db2.gz YPODZFBSPOVOHL-NQYYFHDYSA-N 2 2 342.487 2.098 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]cn1C ZINC001089900206 788885351 /nfs/dbraw/zinc/88/53/51/788885351.db2.gz YPODZFBSPOVOHL-NQYYFHDYSA-N 2 2 342.487 2.098 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001091078608 789737196 /nfs/dbraw/zinc/73/71/96/789737196.db2.gz CXXQKJATWKVBHK-OPQOLIRYSA-N 2 2 349.438 2.069 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001091078608 789737200 /nfs/dbraw/zinc/73/72/00/789737200.db2.gz CXXQKJATWKVBHK-OPQOLIRYSA-N 2 2 349.438 2.069 20 30 EEEDLP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380172 795118396 /nfs/dbraw/zinc/11/83/96/795118396.db2.gz SSMBMGCHZQYWLC-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380172 795118402 /nfs/dbraw/zinc/11/84/02/795118402.db2.gz SSMBMGCHZQYWLC-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081188993 796680776 /nfs/dbraw/zinc/68/07/76/796680776.db2.gz JXOWMMMOWZJMMG-YTQUADARSA-N 2 2 336.439 2.052 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C23CCC3)cc1 ZINC001078761871 796986173 /nfs/dbraw/zinc/98/61/73/796986173.db2.gz RRZBZHGRCRVHLY-DLBZAZTESA-N 2 2 349.438 2.041 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001094965169 797123789 /nfs/dbraw/zinc/12/37/89/797123789.db2.gz GTIZSXBKEZHHQG-KKUMJFAQSA-N 2 2 336.867 2.074 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928235 797137511 /nfs/dbraw/zinc/13/75/11/797137511.db2.gz MHLXQRKICWRKGY-ZBFHGGJFSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928235 797137513 /nfs/dbraw/zinc/13/75/13/797137513.db2.gz MHLXQRKICWRKGY-ZBFHGGJFSA-N 2 2 327.900 2.440 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994408006 797959894 /nfs/dbraw/zinc/95/98/94/797959894.db2.gz MKQZSYVXWJKNES-LPHOPBHVSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994408006 797959897 /nfs/dbraw/zinc/95/98/97/797959897.db2.gz MKQZSYVXWJKNES-LPHOPBHVSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000994413746 797969859 /nfs/dbraw/zinc/96/98/59/797969859.db2.gz XLKRIGJVKQXSMO-QUCCMNQESA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000994413746 797969862 /nfs/dbraw/zinc/96/98/62/797969862.db2.gz XLKRIGJVKQXSMO-QUCCMNQESA-N 2 2 339.483 2.103 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175703968 798216267 /nfs/dbraw/zinc/21/62/67/798216267.db2.gz OOYGRQSZCWZBJP-KRWDZBQOSA-N 2 2 340.471 2.473 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184851096 802199950 /nfs/dbraw/zinc/19/99/50/802199950.db2.gz JMZFWLUCZYAUPX-IRXDYDNUSA-N 2 2 332.492 2.393 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595181 802447494 /nfs/dbraw/zinc/44/74/94/802447494.db2.gz GCALOJLDGMFMNH-SFHVURJKSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595181 802447499 /nfs/dbraw/zinc/44/74/99/802447499.db2.gz GCALOJLDGMFMNH-SFHVURJKSA-N 2 2 330.476 2.242 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033199401 803066586 /nfs/dbraw/zinc/06/65/86/803066586.db2.gz SLBOXOCMHYPYHU-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033199401 803066591 /nfs/dbraw/zinc/06/65/91/803066591.db2.gz SLBOXOCMHYPYHU-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033199401 803066596 /nfs/dbraw/zinc/06/65/96/803066596.db2.gz SLBOXOCMHYPYHU-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033199401 803066600 /nfs/dbraw/zinc/06/66/00/803066600.db2.gz SLBOXOCMHYPYHU-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108712004 804396786 /nfs/dbraw/zinc/39/67/86/804396786.db2.gz YXVPXTWOZJCIEK-ULQDDVLXSA-N 2 2 330.476 2.472 20 30 EEEDLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)n1cc[nH+]c1 ZINC001441413199 1094994275 /nfs/dbraw/zinc/99/42/75/1094994275.db2.gz CSVORNBSFZSHSL-IHRRRGAJSA-N 2 2 343.456 2.204 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001499511826 1112331280 /nfs/dbraw/zinc/33/12/80/1112331280.db2.gz WXGOMUFSEQNEGZ-CABCVRRESA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001499511826 1112331284 /nfs/dbraw/zinc/33/12/84/1112331284.db2.gz WXGOMUFSEQNEGZ-CABCVRRESA-N 2 2 325.884 2.146 20 30 EEEDLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)c1 ZINC001507164551 1115143257 /nfs/dbraw/zinc/14/32/57/1115143257.db2.gz QEEUCKPYOSTKEZ-MRXNPFEDSA-N 2 2 339.443 2.172 20 30 EEEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000113514335 237163313 /nfs/dbraw/zinc/16/33/13/237163313.db2.gz SKGKJKSKOJRJON-GOSISDBHSA-N 2 2 342.487 2.434 20 30 EEEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000113514335 237163328 /nfs/dbraw/zinc/16/33/28/237163328.db2.gz SKGKJKSKOJRJON-GOSISDBHSA-N 2 2 342.487 2.434 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000267591944 256070935 /nfs/dbraw/zinc/07/09/35/256070935.db2.gz JHIRUSCFVFWHMF-AWEZNQCLSA-N 2 2 341.440 2.328 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246500414 160282500 /nfs/dbraw/zinc/28/25/00/160282500.db2.gz HPXRCNPSEIOICV-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246500414 160282502 /nfs/dbraw/zinc/28/25/02/160282502.db2.gz HPXRCNPSEIOICV-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246500414 160282504 /nfs/dbraw/zinc/28/25/04/160282504.db2.gz HPXRCNPSEIOICV-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246500414 160282506 /nfs/dbraw/zinc/28/25/06/160282506.db2.gz HPXRCNPSEIOICV-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364643570 165217754 /nfs/dbraw/zinc/21/77/54/165217754.db2.gz GMRUNLRUALPUIS-CYBMUJFWSA-N 2 2 333.867 2.496 20 30 EEEDLP Cc1c(Cl)cnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364643570 165217760 /nfs/dbraw/zinc/21/77/60/165217760.db2.gz GMRUNLRUALPUIS-CYBMUJFWSA-N 2 2 333.867 2.496 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCC1 ZINC000281113195 267179413 /nfs/dbraw/zinc/17/94/13/267179413.db2.gz ABZQWSKGMISRMX-INIZCTEOSA-N 2 2 340.471 2.123 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000271831570 268065993 /nfs/dbraw/zinc/06/59/93/268065993.db2.gz DYVRXODUMGGDMB-OAHLLOKOSA-N 2 2 327.350 2.035 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865079 276895029 /nfs/dbraw/zinc/89/50/29/276895029.db2.gz XBCMFRZAFFQGAO-UYAOXDASSA-N 3 2 327.472 2.482 20 30 EEEDLP C[NH+]1CCC(CNc2nccc(C#N)c2Cl)([NH+]2CCCCC2)CC1 ZINC000342281031 465307704 /nfs/dbraw/zinc/30/77/04/465307704.db2.gz LYOUKGLKKYFFDE-UHFFFAOYSA-N 2 2 347.894 2.969 20 30 EEEDLP C=C(C)C[N@@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000061758778 462599980 /nfs/dbraw/zinc/59/99/80/462599980.db2.gz UUKUFGFGLMDTLW-UHFFFAOYSA-N 2 2 345.487 2.033 20 30 EEEDLP C=C(C)C[N@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000061758778 462599984 /nfs/dbraw/zinc/59/99/84/462599984.db2.gz UUKUFGFGLMDTLW-UHFFFAOYSA-N 2 2 345.487 2.033 20 30 EEEDLP C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000120752793 463034257 /nfs/dbraw/zinc/03/42/57/463034257.db2.gz PGWXXVIYUIDLAP-GOSISDBHSA-N 2 2 342.487 2.455 20 30 EEEDLP CCCN(CCC)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000268617319 463786281 /nfs/dbraw/zinc/78/62/81/463786281.db2.gz XYDPOJINEYIWAV-UHFFFAOYSA-N 2 2 334.464 2.034 20 30 EEEDLP CC1(C#N)CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000272475401 464624020 /nfs/dbraw/zinc/62/40/20/464624020.db2.gz AJIOTHCSKOZQDA-UHFFFAOYSA-N 2 2 346.500 2.018 20 30 EEEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174455 465558345 /nfs/dbraw/zinc/55/83/45/465558345.db2.gz IELBJABTJCYXFC-HUUCEWRRSA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174455 465558352 /nfs/dbraw/zinc/55/83/52/465558352.db2.gz IELBJABTJCYXFC-HUUCEWRRSA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174455 465558359 /nfs/dbraw/zinc/55/83/59/465558359.db2.gz IELBJABTJCYXFC-HUUCEWRRSA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174455 465558363 /nfs/dbraw/zinc/55/83/63/465558363.db2.gz IELBJABTJCYXFC-HUUCEWRRSA-N 2 2 333.480 2.212 20 30 EEEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)C1 ZINC000366662056 465862859 /nfs/dbraw/zinc/86/28/59/465862859.db2.gz IQCRLRWZKDVJFB-LJQANCHMSA-N 2 2 331.891 2.403 20 30 EEEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)C1 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CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001133407841 1200876272 /nfs/dbraw/zinc/87/62/72/1200876272.db2.gz PRYGCTONHXPZTB-UHFFFAOYSA-N 2 2 344.846 2.247 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000883131005 1202017961 /nfs/dbraw/zinc/01/79/61/1202017961.db2.gz ANLZINGYGULZIC-UHFFFAOYSA-N 2 2 335.879 2.221 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000883131005 1202017964 /nfs/dbraw/zinc/01/79/64/1202017964.db2.gz ANLZINGYGULZIC-UHFFFAOYSA-N 2 2 335.879 2.221 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001275006068 1205230721 /nfs/dbraw/zinc/23/07/21/1205230721.db2.gz WUFJKBGAWUHIEG-ZBFHGGJFSA-N 2 2 332.879 2.279 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001275006068 1205230723 /nfs/dbraw/zinc/23/07/23/1205230723.db2.gz WUFJKBGAWUHIEG-ZBFHGGJFSA-N 2 2 332.879 2.279 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC000957570623 1215220618 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WKDNYHQPVVODBB-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968917475 1221668724 /nfs/dbraw/zinc/66/87/24/1221668724.db2.gz XWDGVVXTCUEMCE-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968917475 1221668725 /nfs/dbraw/zinc/66/87/25/1221668725.db2.gz XWDGVVXTCUEMCE-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1)n1cc[nH+]c1 ZINC001019447879 1229116470 /nfs/dbraw/zinc/11/64/70/1229116470.db2.gz YIRSZYNXULECQR-YJBOKZPZSA-N 2 2 337.427 2.097 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048669 1230262604 /nfs/dbraw/zinc/26/26/04/1230262604.db2.gz IZMZGDGFNLHDFE-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048669 1230262605 /nfs/dbraw/zinc/26/26/05/1230262605.db2.gz IZMZGDGFNLHDFE-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039048669 1230262606 /nfs/dbraw/zinc/26/26/06/1230262606.db2.gz IZMZGDGFNLHDFE-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039048669 1230262607 /nfs/dbraw/zinc/26/26/07/1230262607.db2.gz IZMZGDGFNLHDFE-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001039284203 1230508550 /nfs/dbraw/zinc/50/85/50/1230508550.db2.gz IAGXBGUURCTYRZ-XYTVBORESA-N 2 2 328.460 2.133 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447382 1230615404 /nfs/dbraw/zinc/61/54/04/1230615404.db2.gz JWHLWSBZCDFVCE-SJORKVTESA-N 2 2 328.460 2.095 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447382 1230615407 /nfs/dbraw/zinc/61/54/07/1230615407.db2.gz JWHLWSBZCDFVCE-SJORKVTESA-N 2 2 328.460 2.095 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039464933 1230630371 /nfs/dbraw/zinc/63/03/71/1230630371.db2.gz DSGQUVJSEHYLPQ-AEFFLSMTSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039464933 1230630372 /nfs/dbraw/zinc/63/03/72/1230630372.db2.gz DSGQUVJSEHYLPQ-AEFFLSMTSA-N 2 2 330.476 2.384 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)cc1 ZINC001039476618 1230639972 /nfs/dbraw/zinc/63/99/72/1230639972.db2.gz DRTXCVSTONDNRQ-MOPGFXCFSA-N 2 2 349.438 2.020 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)cc1 ZINC001039476618 1230639975 /nfs/dbraw/zinc/63/99/75/1230639975.db2.gz DRTXCVSTONDNRQ-MOPGFXCFSA-N 2 2 349.438 2.020 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=C)C ZINC001039648234 1230721480 /nfs/dbraw/zinc/72/14/80/1230721480.db2.gz CZAGAOQDIVTARD-OTWHNJEPSA-N 2 2 329.488 2.116 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001039648234 1230721484 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PQGPRIWAQQCCSJ-LJQANCHMSA-N 2 2 328.460 2.070 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935654 1234188411 /nfs/dbraw/zinc/18/84/11/1234188411.db2.gz PQGPRIWAQQCCSJ-LJQANCHMSA-N 2 2 328.460 2.070 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969619 1234252678 /nfs/dbraw/zinc/25/26/78/1234252678.db2.gz VJCRAAXSPBUIEI-QGZVFWFLSA-N 2 2 336.867 2.409 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969619 1234252683 /nfs/dbraw/zinc/25/26/83/1234252683.db2.gz VJCRAAXSPBUIEI-QGZVFWFLSA-N 2 2 336.867 2.409 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982261 1234275072 /nfs/dbraw/zinc/27/50/72/1234275072.db2.gz RULIYZZRRCJICY-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982261 1234275076 /nfs/dbraw/zinc/27/50/76/1234275076.db2.gz RULIYZZRRCJICY-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048561757 1237969345 /nfs/dbraw/zinc/96/93/45/1237969345.db2.gz DBARZCGAGZGFEH-QKPAOTATSA-N 2 2 328.460 2.375 20 30 EEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048561757 1237969348 /nfs/dbraw/zinc/96/93/48/1237969348.db2.gz DBARZCGAGZGFEH-QKPAOTATSA-N 2 2 328.460 2.375 20 30 EEEDLP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)CC1 ZINC001000256261 1240105137 /nfs/dbraw/zinc/10/51/37/1240105137.db2.gz LJRRTSFNWGVOOJ-OAHLLOKOSA-N 2 2 328.460 2.376 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC001049151040 1240129376 /nfs/dbraw/zinc/12/93/76/1240129376.db2.gz DWAWRASVMHZIRJ-HDICACEKSA-N 2 2 336.439 2.452 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC001049151040 1240129380 /nfs/dbraw/zinc/12/93/80/1240129380.db2.gz DWAWRASVMHZIRJ-HDICACEKSA-N 2 2 336.439 2.452 20 30 EEEDLP C#CC[NH+]1CCC(C2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)CC1 ZINC001000306322 1240153452 /nfs/dbraw/zinc/15/34/52/1240153452.db2.gz OMDKTSBZAJFIGR-UHFFFAOYSA-N 2 2 348.450 2.480 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049716796 1241975456 /nfs/dbraw/zinc/97/54/56/1241975456.db2.gz BRJDFDULCAZQLK-VNQPRFMTSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049716796 1241975463 /nfs/dbraw/zinc/97/54/63/1241975463.db2.gz BRJDFDULCAZQLK-VNQPRFMTSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049716796 1241975469 /nfs/dbraw/zinc/97/54/69/1241975469.db2.gz BRJDFDULCAZQLK-VNQPRFMTSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049716796 1241975475 /nfs/dbraw/zinc/97/54/75/1241975475.db2.gz BRJDFDULCAZQLK-VNQPRFMTSA-N 2 2 325.884 2.146 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001049843538 1242388732 /nfs/dbraw/zinc/38/87/32/1242388732.db2.gz KSXXKPHNHIHIRX-MSOLQXFVSA-N 2 2 337.427 2.132 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001049843538 1242388746 /nfs/dbraw/zinc/38/87/46/1242388746.db2.gz KSXXKPHNHIHIRX-MSOLQXFVSA-N 2 2 337.427 2.132 20 30 EEEDLP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCc4sccc4C3)C2)CC1 ZINC001050762832 1244313156 /nfs/dbraw/zinc/31/31/56/1244313156.db2.gz JMEWMLMHFHULNR-UHFFFAOYSA-N 2 2 345.512 2.217 20 30 EEEDLP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCc4sccc4C3)C2)CC1 ZINC001050762832 1244313165 /nfs/dbraw/zinc/31/31/65/1244313165.db2.gz JMEWMLMHFHULNR-UHFFFAOYSA-N 2 2 345.512 2.217 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429947 1245813212 /nfs/dbraw/zinc/81/32/12/1245813212.db2.gz HWWJFESYKASPJA-BEFAXECRSA-N 2 2 330.476 2.434 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 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IUEJICPZZSNGGL-SJORKVTESA-N 2 2 328.460 2.069 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001101573846 1245977770 /nfs/dbraw/zinc/97/77/70/1245977770.db2.gz GJMFTRINYSXJFZ-MRXNPFEDSA-N 2 2 342.487 2.317 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147622 1247523138 /nfs/dbraw/zinc/52/31/38/1247523138.db2.gz VUGPFNZLUSEFLW-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147622 1247523145 /nfs/dbraw/zinc/52/31/45/1247523145.db2.gz VUGPFNZLUSEFLW-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054147622 1247523153 /nfs/dbraw/zinc/52/31/53/1247523153.db2.gz VUGPFNZLUSEFLW-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054147622 1247523157 /nfs/dbraw/zinc/52/31/57/1247523157.db2.gz VUGPFNZLUSEFLW-MDZRGWNJSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212445 1247731545 /nfs/dbraw/zinc/73/15/45/1247731545.db2.gz HBNPLQHQTLIPEI-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212445 1247731554 /nfs/dbraw/zinc/73/15/54/1247731554.db2.gz HBNPLQHQTLIPEI-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212445 1247731566 /nfs/dbraw/zinc/73/15/66/1247731566.db2.gz HBNPLQHQTLIPEI-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212445 1247731579 /nfs/dbraw/zinc/73/15/79/1247731579.db2.gz HBNPLQHQTLIPEI-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001101039378 1259602074 /nfs/dbraw/zinc/60/20/74/1259602074.db2.gz IWALZKVQKDWPGO-VMWRSERWSA-N 2 2 330.476 2.135 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309332 1283979299 /nfs/dbraw/zinc/97/92/99/1283979299.db2.gz BFQBLKVYJURAPS-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309332 1283979303 /nfs/dbraw/zinc/97/93/03/1283979303.db2.gz BFQBLKVYJURAPS-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183076 1289347575 /nfs/dbraw/zinc/34/75/75/1289347575.db2.gz SVKRDFKEBPHJLP-GOSISDBHSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001073696492 1297407819 /nfs/dbraw/zinc/40/78/19/1297407819.db2.gz HZORQGZHPWKZNA-MRXNPFEDSA-N 2 2 342.443 2.121 20 30 EEEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001073696492 1297407826 /nfs/dbraw/zinc/40/78/26/1297407826.db2.gz HZORQGZHPWKZNA-MRXNPFEDSA-N 2 2 342.443 2.121 20 30 EEEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001219271126 1297969536 /nfs/dbraw/zinc/96/95/36/1297969536.db2.gz PVFCCGWDPPBRNJ-SFHVURJKSA-N 2 2 345.406 2.467 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001221657129 1298977376 /nfs/dbraw/zinc/97/73/76/1298977376.db2.gz LGBBQNVBEPQFLZ-FRQCXROJSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001221657129 1298977380 /nfs/dbraw/zinc/97/73/80/1298977380.db2.gz LGBBQNVBEPQFLZ-FRQCXROJSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001221657129 1298977384 /nfs/dbraw/zinc/97/73/84/1298977384.db2.gz LGBBQNVBEPQFLZ-FRQCXROJSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001221657129 1298977393 /nfs/dbraw/zinc/97/73/93/1298977393.db2.gz LGBBQNVBEPQFLZ-FRQCXROJSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350989 1300918646 /nfs/dbraw/zinc/91/86/46/1300918646.db2.gz IGKLGYRHNPZXMR-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350989 1300918649 /nfs/dbraw/zinc/91/86/49/1300918649.db2.gz IGKLGYRHNPZXMR-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001225591089 1301078558 /nfs/dbraw/zinc/07/85/58/1301078558.db2.gz MOSNAEBOIKPQLL-IBGZPJMESA-N 2 2 344.503 2.479 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227128654 1301700843 /nfs/dbraw/zinc/70/08/43/1301700843.db2.gz VUVZWPGEMONEGI-CGTJXYLNSA-N 2 2 330.476 2.429 20 30 EEEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001102986112 1302026977 /nfs/dbraw/zinc/02/69/77/1302026977.db2.gz JLQTWTNSJVXHOD-CRAIPNDOSA-N 2 2 338.455 2.354 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001102986112 1302026980 /nfs/dbraw/zinc/02/69/80/1302026980.db2.gz JLQTWTNSJVXHOD-CRAIPNDOSA-N 2 2 338.455 2.354 20 30 EEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001103011715 1302065723 /nfs/dbraw/zinc/06/57/23/1302065723.db2.gz NZKRKODSGVPQJP-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001103011715 1302065726 /nfs/dbraw/zinc/06/57/26/1302065726.db2.gz NZKRKODSGVPQJP-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001103011715 1302065732 /nfs/dbraw/zinc/06/57/32/1302065732.db2.gz NZKRKODSGVPQJP-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001103011715 1302065738 /nfs/dbraw/zinc/06/57/38/1302065738.db2.gz NZKRKODSGVPQJP-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(Br)C[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228054074 1302078046 /nfs/dbraw/zinc/07/80/46/1302078046.db2.gz NUSYJQMANRMTLB-UHFFFAOYSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228054074 1302078052 /nfs/dbraw/zinc/07/80/52/1302078052.db2.gz NUSYJQMANRMTLB-UHFFFAOYSA-N 2 2 346.313 2.206 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159574 1302353227 /nfs/dbraw/zinc/35/32/27/1302353227.db2.gz PDHCOWWYTPMGGG-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159574 1302353238 /nfs/dbraw/zinc/35/32/38/1302353238.db2.gz PDHCOWWYTPMGGG-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C#CCC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115592177 1305465191 /nfs/dbraw/zinc/46/51/91/1305465191.db2.gz XJZJJAJLIBNMFA-UHFFFAOYSA-N 2 2 329.444 2.065 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001151236779 1316484861 /nfs/dbraw/zinc/48/48/61/1316484861.db2.gz JGAPENJHJKCRSK-UHFFFAOYSA-N 2 2 348.491 2.227 20 30 EEEDLP CC(C)C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)NO ZINC001258141103 1319188283 /nfs/dbraw/zinc/18/82/83/1319188283.db2.gz UEAQSSVCYHCHCT-SFHVURJKSA-N 2 2 333.476 2.203 20 30 EEEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748733 1320256880 /nfs/dbraw/zinc/25/68/80/1320256880.db2.gz MIBHIDMVRLUWOL-UHFFFAOYSA-N 2 2 330.476 2.457 20 30 EEEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748733 1320256885 /nfs/dbraw/zinc/25/68/85/1320256885.db2.gz MIBHIDMVRLUWOL-UHFFFAOYSA-N 2 2 330.476 2.457 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001161553529 1320536109 /nfs/dbraw/zinc/53/61/09/1320536109.db2.gz CYEJCYUKLIZLPR-UHFFFAOYSA-N 2 2 349.438 2.162 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001161553529 1320536111 /nfs/dbraw/zinc/53/61/11/1320536111.db2.gz CYEJCYUKLIZLPR-UHFFFAOYSA-N 2 2 349.438 2.162 20 30 EEEDLP CN(C)/C=[NH+]/c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1C#N ZINC001164213383 1321319827 /nfs/dbraw/zinc/31/98/27/1321319827.db2.gz UELPQSLRVQQMEH-PXLXIMEGSA-N 3 2 342.491 2.218 20 30 EEEDLP C=CCOCC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521761 1323176378 /nfs/dbraw/zinc/17/63/78/1323176378.db2.gz GTZOHZVPHRYIPP-UHFFFAOYSA-N 2 2 342.443 2.207 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001206013660 1323369449 /nfs/dbraw/zinc/36/94/49/1323369449.db2.gz OLIWRCHIJKMUFL-LJQANCHMSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001206013660 1323369456 /nfs/dbraw/zinc/36/94/56/1323369456.db2.gz OLIWRCHIJKMUFL-LJQANCHMSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001207014717 1323790835 /nfs/dbraw/zinc/79/08/35/1323790835.db2.gz FWPQLGZMZPPZPC-ZTFGCOKTSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001207014717 1323790840 /nfs/dbraw/zinc/79/08/40/1323790840.db2.gz FWPQLGZMZPPZPC-ZTFGCOKTSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001207014717 1323790843 /nfs/dbraw/zinc/79/08/43/1323790843.db2.gz FWPQLGZMZPPZPC-ZTFGCOKTSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001207014717 1323790846 /nfs/dbraw/zinc/79/08/46/1323790846.db2.gz FWPQLGZMZPPZPC-ZTFGCOKTSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340491545 1337195111 /nfs/dbraw/zinc/19/51/11/1337195111.db2.gz JHHOPNMPGPHHQK-INIZCTEOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001340491545 1337195113 /nfs/dbraw/zinc/19/51/13/1337195113.db2.gz JHHOPNMPGPHHQK-INIZCTEOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001340491545 1337195114 /nfs/dbraw/zinc/19/51/14/1337195114.db2.gz JHHOPNMPGPHHQK-INIZCTEOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001340491545 1337195116 /nfs/dbraw/zinc/19/51/16/1337195116.db2.gz JHHOPNMPGPHHQK-INIZCTEOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCCO1 ZINC001200803667 1338633230 /nfs/dbraw/zinc/63/32/30/1338633230.db2.gz AFQVZLXFPLEPJM-MRXNPFEDSA-N 2 2 342.443 2.350 20 30 EEEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669328388 1356145684 /nfs/dbraw/zinc/14/56/84/1356145684.db2.gz AOPFBVPMJPEWDE-CYBMUJFWSA-N 2 2 333.395 2.343 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001135130925 1368052213 /nfs/dbraw/zinc/05/22/13/1368052213.db2.gz BNQIXXHFEUDMRM-KGLIPLIRSA-N 2 2 345.472 2.279 20 30 EEEDLP C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001369778482 1374643993 /nfs/dbraw/zinc/64/39/93/1374643993.db2.gz PEOTXQMKONJZKE-AWEZNQCLSA-N 2 2 346.313 2.158 20 30 EEEDLP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001378473464 1380024492 /nfs/dbraw/zinc/02/44/92/1380024492.db2.gz ZZZHYJSRROYPDR-UHFFFAOYSA-N 2 2 332.835 2.432 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001380684264 1381338435 /nfs/dbraw/zinc/33/84/35/1381338435.db2.gz UNTFFYUIZDUYCB-QDMKHBRRSA-N 2 2 336.867 2.372 20 30 EEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001380684264 1381338442 /nfs/dbraw/zinc/33/84/42/1381338442.db2.gz UNTFFYUIZDUYCB-QDMKHBRRSA-N 2 2 336.867 2.372 20 30 EEEDLP CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[NH+](C)C1CCC1 ZINC001392285040 1389951432 /nfs/dbraw/zinc/95/14/32/1389951432.db2.gz SRDLLGMXXURAMC-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[NH+](C)C1CCC1 ZINC001392285040 1389951435 /nfs/dbraw/zinc/95/14/35/1389951435.db2.gz SRDLLGMXXURAMC-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1cc(C#N)ccc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001392285040 1389951439 /nfs/dbraw/zinc/95/14/39/1389951439.db2.gz SRDLLGMXXURAMC-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1cc(C#N)ccc1F)C(=O)C[N@@H+](C)C1CCC1 ZINC001392285040 1389951442 /nfs/dbraw/zinc/95/14/42/1389951442.db2.gz SRDLLGMXXURAMC-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP C=CCOCC[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001752850772 1406485830 /nfs/dbraw/zinc/48/58/30/1406485830.db2.gz LUPMSQXJUYYJAU-UHFFFAOYSA-N 2 2 342.443 2.396 20 30 EEEDLP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC001755901257 1407976557 /nfs/dbraw/zinc/97/65/57/1407976557.db2.gz KLJRFPGPULHRQX-INIZCTEOSA-N 2 2 342.418 2.177 20 30 EEEDLP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001046990745 1410222349 /nfs/dbraw/zinc/22/23/49/1410222349.db2.gz VCIDALQQOMXIPB-ZDUSSCGKSA-N 2 2 338.402 2.021 20 30 EEEDLP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001046990745 1410222353 /nfs/dbraw/zinc/22/23/53/1410222353.db2.gz VCIDALQQOMXIPB-ZDUSSCGKSA-N 2 2 338.402 2.021 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C(C)(C)[C@@H]21 ZINC001087290832 761490166 /nfs/dbraw/zinc/49/01/66/761490166.db2.gz JQNIEPNIXRYINU-ATZDWAIDSA-N 2 2 343.471 2.424 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C(C)(C)[C@@H]21 ZINC001087290832 761490168 /nfs/dbraw/zinc/49/01/68/761490168.db2.gz JQNIEPNIXRYINU-ATZDWAIDSA-N 2 2 343.471 2.424 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028121 782790384 /nfs/dbraw/zinc/79/03/84/782790384.db2.gz WQTXZPZIFYRRMT-CVEARBPZSA-N 2 2 344.846 2.481 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028121 782790390 /nfs/dbraw/zinc/79/03/90/782790390.db2.gz WQTXZPZIFYRRMT-CVEARBPZSA-N 2 2 344.846 2.481 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089541527 770179681 /nfs/dbraw/zinc/17/96/81/770179681.db2.gz LFPOBTYLBMXERK-CQSZACIVSA-N 2 2 338.883 2.322 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089541527 770179687 /nfs/dbraw/zinc/17/96/87/770179687.db2.gz LFPOBTYLBMXERK-CQSZACIVSA-N 2 2 338.883 2.322 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089640087 773639060 /nfs/dbraw/zinc/63/90/60/773639060.db2.gz AERYOOOGBGSKAH-KRWDZBQOSA-N 2 2 338.455 2.496 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089640087 773639064 /nfs/dbraw/zinc/63/90/64/773639064.db2.gz AERYOOOGBGSKAH-KRWDZBQOSA-N 2 2 338.455 2.496 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971865 775447325 /nfs/dbraw/zinc/44/73/25/775447325.db2.gz NKDMMXLIUVPGGI-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971865 775447327 /nfs/dbraw/zinc/44/73/27/775447327.db2.gz NKDMMXLIUVPGGI-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001027971865 775447329 /nfs/dbraw/zinc/44/73/29/775447329.db2.gz NKDMMXLIUVPGGI-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001027971865 775447332 /nfs/dbraw/zinc/44/73/32/775447332.db2.gz NKDMMXLIUVPGGI-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089801857 775828178 /nfs/dbraw/zinc/82/81/78/775828178.db2.gz BFLMOYCTCOXPSM-NXOAAHMSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089801857 775828184 /nfs/dbraw/zinc/82/81/84/775828184.db2.gz BFLMOYCTCOXPSM-NXOAAHMSSA-N 2 2 328.460 2.087 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981354677 777240933 /nfs/dbraw/zinc/24/09/33/777240933.db2.gz RUDKMGGUSLQOAQ-DLBZAZTESA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813788 778240548 /nfs/dbraw/zinc/24/05/48/778240548.db2.gz PYDGWDNEHIWISI-OAHLLOKOSA-N 2 2 348.878 2.437 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813788 778240552 /nfs/dbraw/zinc/24/05/52/778240552.db2.gz PYDGWDNEHIWISI-OAHLLOKOSA-N 2 2 348.878 2.437 20 30 EEEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981953224 778650879 /nfs/dbraw/zinc/65/08/79/778650879.db2.gz JRVLSULXDOLPKH-HNNXBMFYSA-N 2 2 346.500 2.138 20 30 EEEDLP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981953224 778650883 /nfs/dbraw/zinc/65/08/83/778650883.db2.gz JRVLSULXDOLPKH-HNNXBMFYSA-N 2 2 346.500 2.138 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981953224 778650888 /nfs/dbraw/zinc/65/08/88/778650888.db2.gz JRVLSULXDOLPKH-HNNXBMFYSA-N 2 2 346.500 2.138 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981953224 778650892 /nfs/dbraw/zinc/65/08/92/778650892.db2.gz JRVLSULXDOLPKH-HNNXBMFYSA-N 2 2 346.500 2.138 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086737518 783868083 /nfs/dbraw/zinc/86/80/83/783868083.db2.gz NDUCPDIINONEAY-ARFHVFGLSA-N 2 2 330.476 2.274 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086737518 783868096 /nfs/dbraw/zinc/86/80/96/783868096.db2.gz NDUCPDIINONEAY-ARFHVFGLSA-N 2 2 330.476 2.274 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991504932 789158064 /nfs/dbraw/zinc/15/80/64/789158064.db2.gz RKEUZPLIMKGADK-SJLPKXTDSA-N 2 2 332.448 2.039 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991504932 789158071 /nfs/dbraw/zinc/15/80/71/789158071.db2.gz RKEUZPLIMKGADK-SJLPKXTDSA-N 2 2 332.448 2.039 20 30 EEEDLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001006059177 789434170 /nfs/dbraw/zinc/43/41/70/789434170.db2.gz HAEYDIDAFGJKSJ-UHFFFAOYSA-N 2 2 343.456 2.008 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934081 793072183 /nfs/dbraw/zinc/07/21/83/793072183.db2.gz GVXLTAGJFJKTRZ-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992388864 793913018 /nfs/dbraw/zinc/91/30/18/793913018.db2.gz DWVUJUOWHQJHOG-UYAOXDASSA-N 2 2 349.438 2.017 20 30 EEEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992388864 793913021 /nfs/dbraw/zinc/91/30/21/793913021.db2.gz DWVUJUOWHQJHOG-UYAOXDASSA-N 2 2 349.438 2.017 20 30 EEEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992395126 793941287 /nfs/dbraw/zinc/94/12/87/793941287.db2.gz RUTBHYRYIYMNNF-AZUAARDMSA-N 2 2 349.438 2.017 20 30 EEEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992395126 793941293 /nfs/dbraw/zinc/94/12/93/793941293.db2.gz RUTBHYRYIYMNNF-AZUAARDMSA-N 2 2 349.438 2.017 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958434 794479432 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WBIRVZHHILAJHN-UONOGXRCSA-N 2 2 336.867 2.363 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036870485 795593535 /nfs/dbraw/zinc/59/35/35/795593535.db2.gz WBIRVZHHILAJHN-UONOGXRCSA-N 2 2 336.867 2.363 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830905 796952005 /nfs/dbraw/zinc/95/20/05/796952005.db2.gz ZJPOVIAZKFQOEO-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078766518 796957692 /nfs/dbraw/zinc/95/76/92/796957692.db2.gz FFMDVTVPKWLDIC-ZWKOTPCHSA-N 2 2 334.423 2.136 20 30 EEEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001094970197 797145401 /nfs/dbraw/zinc/14/54/01/797145401.db2.gz UQDNYEWVROOOPG-IEZWGBDMSA-N 2 2 334.423 2.088 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994215901 797396129 /nfs/dbraw/zinc/39/61/29/797396129.db2.gz YTTUIWWWYVKUOI-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994215901 797396136 /nfs/dbraw/zinc/39/61/36/797396136.db2.gz YTTUIWWWYVKUOI-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175477015 798117880 /nfs/dbraw/zinc/11/78/80/798117880.db2.gz CZMWCHBZFDIVBA-KRWDZBQOSA-N 2 2 338.455 2.269 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176144198 798347476 /nfs/dbraw/zinc/34/74/76/798347476.db2.gz NPJCPYRQLAOOJH-INIZCTEOSA-N 2 2 339.443 2.169 20 30 EEEDLP C=CCC[NH+]1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001003798348 800216850 /nfs/dbraw/zinc/21/68/50/800216850.db2.gz VTDDDQVQSSBFBX-UHFFFAOYSA-N 2 2 326.444 2.342 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001181518649 800831630 /nfs/dbraw/zinc/83/16/30/800831630.db2.gz XSBDZGIJBROZSO-DNVCBOLYSA-N 2 2 330.476 2.022 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001181896991 800949766 /nfs/dbraw/zinc/94/97/66/800949766.db2.gz VMMMXPOWQOLOEW-DNVCBOLYSA-N 2 2 331.460 2.283 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181947037 800970392 /nfs/dbraw/zinc/97/03/92/800970392.db2.gz JZQIBJAGBJMZAM-MBOZVWFJSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470938 802158765 /nfs/dbraw/zinc/15/87/65/802158765.db2.gz WHUUPWJLSUFUGN-MJGOQNOKSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470938 802158771 /nfs/dbraw/zinc/15/87/71/802158771.db2.gz WHUUPWJLSUFUGN-MJGOQNOKSA-N 2 2 342.487 2.335 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638576 802530086 /nfs/dbraw/zinc/53/00/86/802530086.db2.gz RECXBZHHWQHKSB-HDICACEKSA-N 2 2 342.487 2.120 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638576 802530089 /nfs/dbraw/zinc/53/00/89/802530089.db2.gz RECXBZHHWQHKSB-HDICACEKSA-N 2 2 342.487 2.120 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001113252425 808571120 /nfs/dbraw/zinc/57/11/20/808571120.db2.gz OHQGGRIZDQJAHH-PKOBYXMFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001113252425 808571126 /nfs/dbraw/zinc/57/11/26/808571126.db2.gz OHQGGRIZDQJAHH-PKOBYXMFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621185 810739931 /nfs/dbraw/zinc/73/99/31/810739931.db2.gz HRHFXOHADMMONW-PKOBYXMFSA-N 2 2 338.455 2.421 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621185 810739934 /nfs/dbraw/zinc/73/99/34/810739934.db2.gz HRHFXOHADMMONW-PKOBYXMFSA-N 2 2 338.455 2.421 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000264340332 246373551 /nfs/dbraw/zinc/37/35/51/246373551.db2.gz BYNQVLLQFKIMCI-HNNXBMFYSA-N 2 2 331.464 2.339 20 30 EEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534862441 317953150 /nfs/dbraw/zinc/95/31/50/317953150.db2.gz NIYYCSQFMDSVMS-UHFFFAOYSA-N 2 2 349.438 2.146 20 30 EEEDLP COc1ccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000261986762 463917692 /nfs/dbraw/zinc/91/76/92/463917692.db2.gz KFBACHNYIYOLCH-UHFFFAOYSA-N 2 2 329.404 2.163 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186351220 463981762 /nfs/dbraw/zinc/98/17/62/463981762.db2.gz XIMVLLQCFKAMTQ-MRXNPFEDSA-N 2 2 328.460 2.105 20 30 EEEDLP COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000264110563 464283416 /nfs/dbraw/zinc/28/34/16/464283416.db2.gz OVQLDIOSVQTDBE-MRXNPFEDSA-N 2 2 330.432 2.038 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000271891320 464402115 /nfs/dbraw/zinc/40/21/15/464402115.db2.gz RYOXIXKBCZVGOD-CRAIPNDOSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000271891320 464402123 /nfs/dbraw/zinc/40/21/23/464402123.db2.gz RYOXIXKBCZVGOD-CRAIPNDOSA-N 2 2 328.460 2.152 20 30 EEEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000285740022 464677434 /nfs/dbraw/zinc/67/74/34/464677434.db2.gz YCGNTKOGKMBZEX-PZJWPPBQSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000285740022 464677437 /nfs/dbraw/zinc/67/74/37/464677437.db2.gz YCGNTKOGKMBZEX-PZJWPPBQSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740022 464677440 /nfs/dbraw/zinc/67/74/40/464677440.db2.gz YCGNTKOGKMBZEX-PZJWPPBQSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740022 464677442 /nfs/dbraw/zinc/67/74/42/464677442.db2.gz YCGNTKOGKMBZEX-PZJWPPBQSA-N 2 2 339.483 2.371 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176080434 464694109 /nfs/dbraw/zinc/69/41/09/464694109.db2.gz KVJVQYUIZZJBHL-UHFFFAOYSA-N 2 2 346.500 2.058 20 30 EEEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910785 465470634 /nfs/dbraw/zinc/47/06/34/465470634.db2.gz NNAKVKTVEMKRLH-IAGOWNOFSA-N 2 2 347.507 2.317 20 30 EEEDLP CC(C)C[N@H+]1CCC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910785 465470640 /nfs/dbraw/zinc/47/06/40/465470640.db2.gz NNAKVKTVEMKRLH-IAGOWNOFSA-N 2 2 347.507 2.317 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+][C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000330280467 465596701 /nfs/dbraw/zinc/59/67/01/465596701.db2.gz SLYICTJQBCQZBP-CYBMUJFWSA-N 2 2 342.447 2.027 20 30 EEEDLP C=C(C)Cn1c(C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421303952 466651879 /nfs/dbraw/zinc/65/18/79/466651879.db2.gz RYFDRSVZFCRCCY-UHFFFAOYSA-N 2 2 346.523 2.159 20 30 EEEDLP C=C(C)Cn1c(C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421303952 466651883 /nfs/dbraw/zinc/65/18/83/466651883.db2.gz RYFDRSVZFCRCCY-UHFFFAOYSA-N 2 2 346.523 2.159 20 30 EEEDLP C=CC(C)(C)CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422211945 466669259 /nfs/dbraw/zinc/66/92/59/466669259.db2.gz QBNDASMSASGPFU-UHFFFAOYSA-N 2 2 336.524 2.400 20 30 EEEDLP C=CC(C)(C)CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422211945 466669264 /nfs/dbraw/zinc/66/92/64/466669264.db2.gz QBNDASMSASGPFU-UHFFFAOYSA-N 2 2 336.524 2.400 20 30 EEEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000365765400 466932240 /nfs/dbraw/zinc/93/22/40/466932240.db2.gz NKLVAYUMPVGTRO-GOSISDBHSA-N 2 2 336.395 2.435 20 30 EEEDLP C[C@H]1CN(c2ncc3c(c2C#N)CCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425245205 467090390 /nfs/dbraw/zinc/09/03/90/467090390.db2.gz IVWUWGSDWFKALP-HNNXBMFYSA-N 2 2 339.487 2.047 20 30 EEEDLP C[C@H]1CN(c2ncc3c(c2C#N)CCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425245205 467090391 /nfs/dbraw/zinc/09/03/91/467090391.db2.gz IVWUWGSDWFKALP-HNNXBMFYSA-N 2 2 339.487 2.047 20 30 EEEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449738157 467703852 /nfs/dbraw/zinc/70/38/52/467703852.db2.gz ZHBIHRVXDVSICR-UHFFFAOYSA-N 2 2 333.407 2.205 20 30 EEEDLP N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000492865636 467777997 /nfs/dbraw/zinc/77/79/97/467777997.db2.gz PDWPJQPHHVBTIS-VOTSOKGWSA-N 2 2 335.411 2.097 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000566627910 468155878 /nfs/dbraw/zinc/15/58/78/468155878.db2.gz AYYHVFSIDUAWJJ-SFHVURJKSA-N 2 2 342.487 2.358 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000571875005 468852372 /nfs/dbraw/zinc/85/23/72/468852372.db2.gz HIWKFMYBHMXCEX-ATZDWAIDSA-N 2 2 330.472 2.227 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000571875005 468852376 /nfs/dbraw/zinc/85/23/76/468852376.db2.gz HIWKFMYBHMXCEX-ATZDWAIDSA-N 2 2 330.472 2.227 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000106066253 526606656 /nfs/dbraw/zinc/60/66/56/526606656.db2.gz GVWZUFVGHSGRBM-INIZCTEOSA-N 2 2 345.491 2.138 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000106066253 526606659 /nfs/dbraw/zinc/60/66/59/526606659.db2.gz GVWZUFVGHSGRBM-INIZCTEOSA-N 2 2 345.491 2.138 20 30 EEEDLP C#CC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000192222334 526800298 /nfs/dbraw/zinc/80/02/98/526800298.db2.gz BMQORPRUUKFVBA-KRWDZBQOSA-N 2 2 333.863 2.158 20 30 EEEDLP C#CC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000192222334 526800306 /nfs/dbraw/zinc/80/03/06/526800306.db2.gz BMQORPRUUKFVBA-KRWDZBQOSA-N 2 2 333.863 2.158 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718045 676757745 /nfs/dbraw/zinc/75/77/45/676757745.db2.gz CJIRUOCUXXSJDP-KZNAEPCWSA-N 2 2 349.438 2.118 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718045 676757747 /nfs/dbraw/zinc/75/77/47/676757747.db2.gz CJIRUOCUXXSJDP-KZNAEPCWSA-N 2 2 349.438 2.118 20 30 EEEDLP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718000 676757764 /nfs/dbraw/zinc/75/77/64/676757764.db2.gz AMESIMWWFWRGGA-RCCFBDPRSA-N 2 2 349.438 2.118 20 30 EEEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718000 676757766 /nfs/dbraw/zinc/75/77/66/676757766.db2.gz AMESIMWWFWRGGA-RCCFBDPRSA-N 2 2 349.438 2.118 20 30 EEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982540993 681599863 /nfs/dbraw/zinc/59/98/63/681599863.db2.gz BQIGKBINTDDJGR-ZOCIIQOWSA-N 2 2 328.460 2.186 20 30 EEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982540993 681599867 /nfs/dbraw/zinc/59/98/67/681599867.db2.gz BQIGKBINTDDJGR-ZOCIIQOWSA-N 2 2 328.460 2.186 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025583472 683037807 /nfs/dbraw/zinc/03/78/07/683037807.db2.gz ZVZNYDVOCJVZMT-FUHWJXTLSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025583472 683037809 /nfs/dbraw/zinc/03/78/09/683037809.db2.gz ZVZNYDVOCJVZMT-FUHWJXTLSA-N 2 2 336.439 2.336 20 30 EEEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000895378725 684562056 /nfs/dbraw/zinc/56/20/56/684562056.db2.gz SHQHKBKVOMVKSS-PBHICJAKSA-N 2 2 326.448 2.153 20 30 EEEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000895378725 684562058 /nfs/dbraw/zinc/56/20/58/684562058.db2.gz SHQHKBKVOMVKSS-PBHICJAKSA-N 2 2 326.448 2.153 20 30 EEEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000895378728 684562112 /nfs/dbraw/zinc/56/21/12/684562112.db2.gz SHQHKBKVOMVKSS-RHSMWYFYSA-N 2 2 326.448 2.153 20 30 EEEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000895378728 684562116 /nfs/dbraw/zinc/56/21/16/684562116.db2.gz SHQHKBKVOMVKSS-RHSMWYFYSA-N 2 2 326.448 2.153 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)[C@@H]1C ZINC001088631132 1188019953 /nfs/dbraw/zinc/01/99/53/1188019953.db2.gz SZLBNUYCKNLVNA-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H]1C ZINC001088631132 1188019955 /nfs/dbraw/zinc/01/99/55/1188019955.db2.gz SZLBNUYCKNLVNA-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H]1C ZINC001088631132 1188019957 /nfs/dbraw/zinc/01/99/57/1188019957.db2.gz SZLBNUYCKNLVNA-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H]1C ZINC001088631132 1188019959 /nfs/dbraw/zinc/01/99/59/1188019959.db2.gz SZLBNUYCKNLVNA-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034014557 1195634839 /nfs/dbraw/zinc/63/48/39/1195634839.db2.gz HZKHDXDEFOTMHP-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034014557 1195634843 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ZINC001277998884 1305641388 /nfs/dbraw/zinc/64/13/88/1305641388.db2.gz SLDGEYANBDEMDX-FXAWDEMLSA-N 2 2 344.503 2.203 20 30 EEEDLP C[C@H](CO)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998884 1305641396 /nfs/dbraw/zinc/64/13/96/1305641396.db2.gz SLDGEYANBDEMDX-FXAWDEMLSA-N 2 2 344.503 2.203 20 30 EEEDLP C[C@H](CO)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998884 1305641407 /nfs/dbraw/zinc/64/14/07/1305641407.db2.gz SLDGEYANBDEMDX-FXAWDEMLSA-N 2 2 344.503 2.203 20 30 EEEDLP C[C@H](CO)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998884 1305641414 /nfs/dbraw/zinc/64/14/14/1305641414.db2.gz SLDGEYANBDEMDX-FXAWDEMLSA-N 2 2 344.503 2.203 20 30 EEEDLP N#C[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246955548 1310478115 /nfs/dbraw/zinc/47/81/15/1310478115.db2.gz NSZGOFIGGOMKMM-HOCLYGCPSA-N 2 2 334.414 2.163 20 30 EEEDLP N#C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246955548 1310478124 /nfs/dbraw/zinc/47/81/24/1310478124.db2.gz NSZGOFIGGOMKMM-HOCLYGCPSA-N 2 2 334.414 2.163 20 30 EEEDLP COC(=O)C1(C#N)CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138552181 1314629620 /nfs/dbraw/zinc/62/96/20/1314629620.db2.gz YPGDLCLYRJGVOT-UHFFFAOYSA-N 2 2 338.411 2.460 20 30 EEEDLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001157265823 1318532483 /nfs/dbraw/zinc/53/24/83/1318532483.db2.gz YPZSVTDNNMPJNG-UHFFFAOYSA-N 2 2 344.846 2.143 20 30 EEEDLP CC#CC[N@H+]1CC=C(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001161627500 1320564100 /nfs/dbraw/zinc/56/41/00/1320564100.db2.gz LEUVIFKBYFIXBA-UHFFFAOYSA-N 2 2 349.438 2.043 20 30 EEEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001161627500 1320564102 /nfs/dbraw/zinc/56/41/02/1320564102.db2.gz LEUVIFKBYFIXBA-UHFFFAOYSA-N 2 2 349.438 2.043 20 30 EEEDLP C[NH+](C)C1(CNc2cc(C#N)cc(C(F)(F)F)n2)CC[NH+](C)CC1 ZINC001164206779 1321316419 /nfs/dbraw/zinc/31/64/19/1321316419.db2.gz CKOYHNYRKHMHEN-UHFFFAOYSA-N 2 2 341.381 2.410 20 30 EEEDLP C[NH+](C)C1(CNc2ncc(C(F)(F)F)cc2C#N)CC[NH+](C)CC1 ZINC001164206745 1321316677 /nfs/dbraw/zinc/31/66/77/1321316677.db2.gz AVJMNOXGZKAYND-UHFFFAOYSA-N 2 2 341.381 2.410 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165834866 1321595010 /nfs/dbraw/zinc/59/50/10/1321595010.db2.gz FHOIDWNXBUZIER-OAHLLOKOSA-N 2 2 330.476 2.275 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165834866 1321595014 /nfs/dbraw/zinc/59/50/14/1321595014.db2.gz FHOIDWNXBUZIER-OAHLLOKOSA-N 2 2 330.476 2.275 20 30 EEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205552650 1323190003 /nfs/dbraw/zinc/19/00/03/1323190003.db2.gz JUWJHXZFXWZZIZ-KRWDZBQOSA-N 2 2 330.476 2.240 20 30 EEEDLP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001316606762 1324582654 /nfs/dbraw/zinc/58/26/54/1324582654.db2.gz PLERFXRSJJYOIS-RBUKOAKNSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001316606762 1324582656 /nfs/dbraw/zinc/58/26/56/1324582656.db2.gz PLERFXRSJJYOIS-RBUKOAKNSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001316606762 1324582659 /nfs/dbraw/zinc/58/26/59/1324582659.db2.gz PLERFXRSJJYOIS-RBUKOAKNSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001316606762 1324582662 /nfs/dbraw/zinc/58/26/62/1324582662.db2.gz PLERFXRSJJYOIS-RBUKOAKNSA-N 2 2 327.472 2.235 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCOC3(C)C)cc2F)CC1 ZINC001328092299 1334394505 /nfs/dbraw/zinc/39/45/05/1334394505.db2.gz YPXTZLUNWQKNDT-KRWDZBQOSA-N 2 2 334.439 2.069 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340296250 1337153847 /nfs/dbraw/zinc/15/38/47/1337153847.db2.gz BTOWSFXYBYLRMH-UHFFFAOYSA-N 2 2 346.523 2.417 20 30 EEEDLP Cc1oc(NC(=O)C[NH+]2CCC([C@H]3[NH2+]CC3(C)C)CC2)c(C#N)c1C ZINC001579927686 1344433423 /nfs/dbraw/zinc/43/34/23/1344433423.db2.gz ZIHXGOBNMBJJKS-QGZVFWFLSA-N 2 2 344.459 2.417 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699670 1369386175 /nfs/dbraw/zinc/38/61/75/1369386175.db2.gz ZLBREIAUBSUBQA-ZJPYXAASSA-N 2 2 328.460 2.215 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699670 1369386180 /nfs/dbraw/zinc/38/61/80/1369386180.db2.gz ZLBREIAUBSUBQA-ZJPYXAASSA-N 2 2 328.460 2.215 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170690 1369746045 /nfs/dbraw/zinc/74/60/45/1369746045.db2.gz ADCWMTCMOYQBIH-YLJYHZDGSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170690 1369746050 /nfs/dbraw/zinc/74/60/50/1369746050.db2.gz ADCWMTCMOYQBIH-YLJYHZDGSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170690 1369746056 /nfs/dbraw/zinc/74/60/56/1369746056.db2.gz ADCWMTCMOYQBIH-YLJYHZDGSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170690 1369746062 /nfs/dbraw/zinc/74/60/62/1369746062.db2.gz ADCWMTCMOYQBIH-YLJYHZDGSA-N 2 2 342.487 2.221 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001391624806 1389479535 /nfs/dbraw/zinc/47/95/35/1389479535.db2.gz BVBGMQIEKDZFEY-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001391624806 1389479539 /nfs/dbraw/zinc/47/95/39/1389479539.db2.gz BVBGMQIEKDZFEY-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001391624806 1389479542 /nfs/dbraw/zinc/47/95/42/1389479542.db2.gz BVBGMQIEKDZFEY-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001391624806 1389479548 /nfs/dbraw/zinc/47/95/48/1389479548.db2.gz BVBGMQIEKDZFEY-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001391846795 1389655898 /nfs/dbraw/zinc/65/58/98/1389655898.db2.gz IQRCRKZIVZGTFB-UHFFFAOYSA-N 2 2 338.883 2.324 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001399497942 1395165470 /nfs/dbraw/zinc/16/54/70/1395165470.db2.gz LJJOWVMCCSNFHZ-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001399497942 1395165479 /nfs/dbraw/zinc/16/54/79/1395165479.db2.gz LJJOWVMCCSNFHZ-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001399497942 1395165489 /nfs/dbraw/zinc/16/54/89/1395165489.db2.gz LJJOWVMCCSNFHZ-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001399497942 1395165497 /nfs/dbraw/zinc/16/54/97/1395165497.db2.gz LJJOWVMCCSNFHZ-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001753967730 1406783648 /nfs/dbraw/zinc/78/36/48/1406783648.db2.gz YXXRXYMTDFDTGK-IUODEOHRSA-N 2 2 339.871 2.027 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001753967730 1406783654 /nfs/dbraw/zinc/78/36/54/1406783654.db2.gz YXXRXYMTDFDTGK-IUODEOHRSA-N 2 2 339.871 2.027 20 30 EEEDLP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001755679372 1407725861 /nfs/dbraw/zinc/72/58/61/1407725861.db2.gz WMHCLNCMKAMROE-HOTGVXAUSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461438 760932419 /nfs/dbraw/zinc/93/24/19/760932419.db2.gz HIQMKEKCEAPSHA-QGZVFWFLSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461438 760932423 /nfs/dbraw/zinc/93/24/23/760932423.db2.gz HIQMKEKCEAPSHA-QGZVFWFLSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087315571 761603226 /nfs/dbraw/zinc/60/32/26/761603226.db2.gz DZLZNAAYRGHVSO-ZTFGCOKTSA-N 2 2 330.476 2.442 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087315571 761603229 /nfs/dbraw/zinc/60/32/29/761603229.db2.gz DZLZNAAYRGHVSO-ZTFGCOKTSA-N 2 2 330.476 2.442 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001167720577 765054555 /nfs/dbraw/zinc/05/45/55/765054555.db2.gz ZGMWTZWTFMCKTH-UHFFFAOYSA-N 2 2 339.443 2.333 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775417 765267401 /nfs/dbraw/zinc/26/74/01/765267401.db2.gz FOLZKXLYQBFZBA-UMVBOHGHSA-N 2 2 338.883 2.415 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775417 765267406 /nfs/dbraw/zinc/26/74/06/765267406.db2.gz FOLZKXLYQBFZBA-UMVBOHGHSA-N 2 2 338.883 2.415 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419393 768948068 /nfs/dbraw/zinc/94/80/68/768948068.db2.gz FNELCKGDAOTEKN-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419393 768948072 /nfs/dbraw/zinc/94/80/72/768948072.db2.gz FNELCKGDAOTEKN-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420765 768954621 /nfs/dbraw/zinc/95/46/21/768954621.db2.gz OPFUSPJCEVXCGJ-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420765 768954625 /nfs/dbraw/zinc/95/46/25/768954625.db2.gz OPFUSPJCEVXCGJ-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980207732 774092548 /nfs/dbraw/zinc/09/25/48/774092548.db2.gz KIYSPIAVVUIWKM-ULQDDVLXSA-N 2 2 330.476 2.146 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980207732 774092549 /nfs/dbraw/zinc/09/25/49/774092549.db2.gz KIYSPIAVVUIWKM-ULQDDVLXSA-N 2 2 330.476 2.146 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027943068 774775769 /nfs/dbraw/zinc/77/57/69/774775769.db2.gz JUNYQISFONJDJC-MOPGFXCFSA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027943068 774775775 /nfs/dbraw/zinc/77/57/75/774775775.db2.gz JUNYQISFONJDJC-MOPGFXCFSA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027943068 774775779 /nfs/dbraw/zinc/77/57/79/774775779.db2.gz JUNYQISFONJDJC-MOPGFXCFSA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027943068 774775782 /nfs/dbraw/zinc/77/57/82/774775782.db2.gz JUNYQISFONJDJC-MOPGFXCFSA-N 2 2 343.515 2.245 20 30 EEEDLP N#Cc1ccc(-c2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)cc1 ZINC001211755676 780864812 /nfs/dbraw/zinc/86/48/12/780864812.db2.gz YZDHGSFGNRVWJV-IRXDYDNUSA-N 2 2 331.379 2.289 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710479 784995067 /nfs/dbraw/zinc/99/50/67/784995067.db2.gz LVKRBZKTOUSZQX-JKSUJKDBSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710479 784995073 /nfs/dbraw/zinc/99/50/73/784995073.db2.gz LVKRBZKTOUSZQX-JKSUJKDBSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)CC2 ZINC001035858273 785299870 /nfs/dbraw/zinc/29/98/70/785299870.db2.gz RLPDAPSNMONBJH-GOSISDBHSA-N 2 2 342.487 2.185 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995976698 785883583 /nfs/dbraw/zinc/88/35/83/785883583.db2.gz DMZXRAGUMQQIDA-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995976698 785883589 /nfs/dbraw/zinc/88/35/89/785883589.db2.gz DMZXRAGUMQQIDA-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190576 786106380 /nfs/dbraw/zinc/10/63/80/786106380.db2.gz LSPUAVVJEUTYLO-ROUUACIJSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190576 786106382 /nfs/dbraw/zinc/10/63/82/786106382.db2.gz LSPUAVVJEUTYLO-ROUUACIJSA-N 2 2 349.519 2.033 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001171068406 788308117 /nfs/dbraw/zinc/30/81/17/788308117.db2.gz LSXBSUOVWAJBKE-ZDUSSCGKSA-N 2 2 340.855 2.440 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992388858 793913346 /nfs/dbraw/zinc/91/33/46/793913346.db2.gz DWVUJUOWHQJHOG-QUCCMNQESA-N 2 2 349.438 2.017 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992388858 793913350 /nfs/dbraw/zinc/91/33/50/793913350.db2.gz DWVUJUOWHQJHOG-QUCCMNQESA-N 2 2 349.438 2.017 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)c1 ZINC001078734050 796898439 /nfs/dbraw/zinc/89/84/39/796898439.db2.gz PQJZTEQJVUIOKX-ZWKOTPCHSA-N 2 2 349.438 2.041 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C23CCC3)c1 ZINC001078761891 796986365 /nfs/dbraw/zinc/98/63/65/796986365.db2.gz SCVTUJRZMGSTQF-DLBZAZTESA-N 2 2 349.438 2.041 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442607 797095548 /nfs/dbraw/zinc/09/55/48/797095548.db2.gz RKLCMMOFPBWRGC-FGTMMUONSA-N 2 2 348.491 2.252 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442607 797095554 /nfs/dbraw/zinc/09/55/54/797095554.db2.gz RKLCMMOFPBWRGC-FGTMMUONSA-N 2 2 348.491 2.252 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001084361752 798166480 /nfs/dbraw/zinc/16/64/80/798166480.db2.gz XCLIPMZRPVSSHQ-SJLPKXTDSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001084361752 798166482 /nfs/dbraw/zinc/16/64/82/798166482.db2.gz XCLIPMZRPVSSHQ-SJLPKXTDSA-N 2 2 342.487 2.261 20 30 EEEDLP CCCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157570 798780358 /nfs/dbraw/zinc/78/03/58/798780358.db2.gz SUTYQNGWRJCZFR-MSOLQXFVSA-N 2 2 348.491 2.155 20 30 EEEDLP CCCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157570 798780360 /nfs/dbraw/zinc/78/03/60/798780360.db2.gz SUTYQNGWRJCZFR-MSOLQXFVSA-N 2 2 348.491 2.155 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345920 800386011 /nfs/dbraw/zinc/38/60/11/800386011.db2.gz XCOUJFRPFNLJKI-QZTJIDSGSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422503 803537078 /nfs/dbraw/zinc/53/70/78/803537078.db2.gz VAPGUIFDLTVUHR-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422503 803537081 /nfs/dbraw/zinc/53/70/81/803537081.db2.gz VAPGUIFDLTVUHR-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001108733734 804420154 /nfs/dbraw/zinc/42/01/54/804420154.db2.gz ZIZIRCRWVCSSBL-HQRMLTQVSA-N 2 2 348.450 2.478 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)c1 ZINC001109208933 805120635 /nfs/dbraw/zinc/12/06/35/805120635.db2.gz HAYKRYJKGBWJPL-SQNIBIBYSA-N 2 2 349.438 2.136 20 30 EEEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)c1 ZINC001109208933 805120638 /nfs/dbraw/zinc/12/06/38/805120638.db2.gz HAYKRYJKGBWJPL-SQNIBIBYSA-N 2 2 349.438 2.136 20 30 EEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109467004 805511046 /nfs/dbraw/zinc/51/10/46/805511046.db2.gz HSHHUAKNWJEZPD-IKGGRYGDSA-N 2 2 348.878 2.382 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109467004 805511052 /nfs/dbraw/zinc/51/10/52/805511052.db2.gz HSHHUAKNWJEZPD-IKGGRYGDSA-N 2 2 348.878 2.382 20 30 EEEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595556 809095994 /nfs/dbraw/zinc/09/59/94/809095994.db2.gz IGZVKJJZCXOEPU-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595556 809096002 /nfs/dbraw/zinc/09/60/02/809096002.db2.gz IGZVKJJZCXOEPU-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086595556 809096009 /nfs/dbraw/zinc/09/60/09/809096009.db2.gz IGZVKJJZCXOEPU-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086595556 809096017 /nfs/dbraw/zinc/09/60/17/809096017.db2.gz IGZVKJJZCXOEPU-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC001437882895 1090458504 /nfs/dbraw/zinc/45/85/04/1090458504.db2.gz YDMRJABJKBNODG-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC001437882895 1090458509 /nfs/dbraw/zinc/45/85/09/1090458509.db2.gz YDMRJABJKBNODG-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001437882895 1090458510 /nfs/dbraw/zinc/45/85/10/1090458510.db2.gz YDMRJABJKBNODG-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001437882895 1090458516 /nfs/dbraw/zinc/45/85/16/1090458516.db2.gz YDMRJABJKBNODG-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001443147656 1097578575 /nfs/dbraw/zinc/57/85/75/1097578575.db2.gz XXVJDCMYSVDRLF-MRXNPFEDSA-N 2 2 332.835 2.391 20 30 EEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001495923141 1101768247 /nfs/dbraw/zinc/76/82/47/1101768247.db2.gz BWFUCQGMGRKCHZ-AWEZNQCLSA-N 2 2 336.867 2.217 20 30 EEEDLP C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001447339896 1102477707 /nfs/dbraw/zinc/47/77/07/1102477707.db2.gz IWLBUHZLFBOSGY-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001447339896 1102477711 /nfs/dbraw/zinc/47/77/11/1102477711.db2.gz IWLBUHZLFBOSGY-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001447339896 1102477724 /nfs/dbraw/zinc/47/77/24/1102477724.db2.gz IWLBUHZLFBOSGY-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000267221962 256039078 /nfs/dbraw/zinc/03/90/78/256039078.db2.gz SURANQPMRBUTDI-UHFFFAOYSA-N 3 2 341.484 2.317 20 30 EEEDLP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000369114186 166193695 /nfs/dbraw/zinc/19/36/95/166193695.db2.gz ZVWWZYLFKSWFDK-APWZRJJASA-N 2 2 342.487 2.025 20 30 EEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000297636158 465264866 /nfs/dbraw/zinc/26/48/66/465264866.db2.gz YRRWAHYIZWMMFG-MRXNPFEDSA-N 2 2 331.464 2.095 20 30 EEEDLP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000297636158 465264869 /nfs/dbraw/zinc/26/48/69/465264869.db2.gz YRRWAHYIZWMMFG-MRXNPFEDSA-N 2 2 331.464 2.095 20 30 EEEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287001792 463768707 /nfs/dbraw/zinc/76/87/07/463768707.db2.gz FCIPOHIOJFLJEI-YOEHRIQHSA-N 2 2 336.480 2.016 20 30 EEEDLP C#CC[NH+]1CCC(c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)CC1 ZINC000277814101 463932599 /nfs/dbraw/zinc/93/25/99/463932599.db2.gz HEYPSWIMCHDZEU-UHFFFAOYSA-N 2 2 334.383 2.130 20 30 EEEDLP Cc1cc[nH+]cc1CCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000289158628 464068929 /nfs/dbraw/zinc/06/89/29/464068929.db2.gz DKYBWLVCIIFHNB-INIZCTEOSA-N 2 2 336.443 2.195 20 30 EEEDLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000289158628 464068933 /nfs/dbraw/zinc/06/89/33/464068933.db2.gz DKYBWLVCIIFHNB-INIZCTEOSA-N 2 2 336.443 2.195 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281243760 464384179 /nfs/dbraw/zinc/38/41/79/464384179.db2.gz GIEQRARYEZFRDP-UHOSZYNNSA-N 2 2 327.472 2.274 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281243760 464384183 /nfs/dbraw/zinc/38/41/83/464384183.db2.gz GIEQRARYEZFRDP-UHOSZYNNSA-N 2 2 327.472 2.274 20 30 EEEDLP Cc1noc(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000271904013 464408296 /nfs/dbraw/zinc/40/82/96/464408296.db2.gz WCQZQLXZUHAQNN-UHFFFAOYSA-N 2 2 339.443 2.437 20 30 EEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203547 464737213 /nfs/dbraw/zinc/73/72/13/464737213.db2.gz LNIHODBJPBMHBR-QZTJIDSGSA-N 3 2 327.476 2.266 20 30 EEEDLP CC(C)(CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+]1CCOCC1 ZINC000267213341 464922843 /nfs/dbraw/zinc/92/28/43/464922843.db2.gz GXWYHVJXUHMWCH-UHFFFAOYSA-N 2 2 330.476 2.403 20 30 EEEDLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000329482450 465348763 /nfs/dbraw/zinc/34/87/63/465348763.db2.gz PXBHTZTZGSEESO-QGZVFWFLSA-N 2 2 346.475 2.286 20 30 EEEDLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000329482450 465348766 /nfs/dbraw/zinc/34/87/66/465348766.db2.gz PXBHTZTZGSEESO-QGZVFWFLSA-N 2 2 346.475 2.286 20 30 EEEDLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)c1 ZINC000329712766 465412351 /nfs/dbraw/zinc/41/23/51/465412351.db2.gz QMOOBJOISJCMOL-INIZCTEOSA-N 2 2 343.475 2.076 20 30 EEEDLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CC2)c1 ZINC000329712766 465412362 /nfs/dbraw/zinc/41/23/62/465412362.db2.gz QMOOBJOISJCMOL-INIZCTEOSA-N 2 2 343.475 2.076 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000298644650 465458265 /nfs/dbraw/zinc/45/82/65/465458265.db2.gz ANKULBPDNSTNKV-IAGOWNOFSA-N 2 2 333.480 2.269 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000332750121 466560281 /nfs/dbraw/zinc/56/02/81/466560281.db2.gz ZHBFBDQTINPQQZ-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000332750121 466560295 /nfs/dbraw/zinc/56/02/95/466560295.db2.gz ZHBFBDQTINPQQZ-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000332750121 466560300 /nfs/dbraw/zinc/56/03/00/466560300.db2.gz ZHBFBDQTINPQQZ-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000332750121 466560311 /nfs/dbraw/zinc/56/03/11/466560311.db2.gz ZHBFBDQTINPQQZ-WMZOPIPTSA-N 2 2 332.492 2.135 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422637982 466679677 /nfs/dbraw/zinc/67/96/77/466679677.db2.gz PTHUIMIHKLRDQF-OAHLLOKOSA-N 2 2 333.501 2.479 20 30 EEEDLP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364694060 466712180 /nfs/dbraw/zinc/71/21/80/466712180.db2.gz GLZRKGRNUKYSPO-YTQUADARSA-N 2 2 334.508 2.452 20 30 EEEDLP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364694060 466712183 /nfs/dbraw/zinc/71/21/83/466712183.db2.gz GLZRKGRNUKYSPO-YTQUADARSA-N 2 2 334.508 2.452 20 30 EEEDLP C=CCC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364694060 466712186 /nfs/dbraw/zinc/71/21/86/466712186.db2.gz GLZRKGRNUKYSPO-YTQUADARSA-N 2 2 334.508 2.452 20 30 EEEDLP C=CCC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364694060 466712188 /nfs/dbraw/zinc/71/21/88/466712188.db2.gz GLZRKGRNUKYSPO-YTQUADARSA-N 2 2 334.508 2.452 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000374714389 466722704 /nfs/dbraw/zinc/72/27/04/466722704.db2.gz HAZSJIPSSVYKEC-DOTOQJQBSA-N 2 2 328.522 2.220 20 30 EEEDLP C[C@@H]1CN(Cc2cccc(F)c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000428301339 467220176 /nfs/dbraw/zinc/22/01/76/467220176.db2.gz PCVCBFUPBYXESH-OAHLLOKOSA-N 2 2 330.451 2.298 20 30 EEEDLP C[C@@H]1CN(Cc2cccc(F)c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000428301339 467220180 /nfs/dbraw/zinc/22/01/80/467220180.db2.gz PCVCBFUPBYXESH-OAHLLOKOSA-N 2 2 330.451 2.298 20 30 EEEDLP C=CCn1cccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000488814117 468106616 /nfs/dbraw/zinc/10/66/16/468106616.db2.gz IVFFEQPPGJVEOQ-JWTNVVGKSA-N 2 2 342.487 2.057 20 30 EEEDLP C=CCn1cccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000488814117 468106620 /nfs/dbraw/zinc/10/66/20/468106620.db2.gz IVFFEQPPGJVEOQ-JWTNVVGKSA-N 2 2 342.487 2.057 20 30 EEEDLP C[NH+]1CCC(C#N)(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000591815809 468525814 /nfs/dbraw/zinc/52/58/14/468525814.db2.gz ZFYHZNJXCHLRNW-INIZCTEOSA-N 2 2 337.427 2.036 20 30 EEEDLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439381 468587991 /nfs/dbraw/zinc/58/79/91/468587991.db2.gz QFQWQWHIPVBFHM-KRWDZBQOSA-N 2 2 344.459 2.177 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(C#N)cn3)CCC[NH+]2C)cn1 ZINC000570981589 468722627 /nfs/dbraw/zinc/72/26/27/468722627.db2.gz RLKXDJQROMGZJL-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(C#N)cn3)CCC[NH+]2C)cn1 ZINC000570981589 468722632 /nfs/dbraw/zinc/72/26/32/468722632.db2.gz RLKXDJQROMGZJL-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)cn3)CCC[N@@H+]2C)cn1 ZINC000570981589 468722633 /nfs/dbraw/zinc/72/26/33/468722633.db2.gz RLKXDJQROMGZJL-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)cn3)CCC[N@H+]2C)cn1 ZINC000570981589 468722639 /nfs/dbraw/zinc/72/26/39/468722639.db2.gz RLKXDJQROMGZJL-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP C(#CC[N@@H+]1CCOC2(CCCC2)C1)C[NH+]1CCOC2(CCCC2)C1 ZINC000560159890 468770377 /nfs/dbraw/zinc/77/03/77/468770377.db2.gz WBGLCOOVLLJGFO-UHFFFAOYSA-N 2 2 332.488 2.280 20 30 EEEDLP C(#CC[N@H+]1CCOC2(CCCC2)C1)C[NH+]1CCOC2(CCCC2)C1 ZINC000560159890 468770382 /nfs/dbraw/zinc/77/03/82/468770382.db2.gz WBGLCOOVLLJGFO-UHFFFAOYSA-N 2 2 332.488 2.280 20 30 EEEDLP Cc1[nH+]cn(-c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)c1C ZINC000584716421 468919155 /nfs/dbraw/zinc/91/91/55/468919155.db2.gz OBTMVDDYNDQIHI-SFHVURJKSA-N 2 2 327.432 2.107 20 30 EEEDLP Cc1[nH+]cn(-c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)c1C ZINC000584716421 468919159 /nfs/dbraw/zinc/91/91/59/468919159.db2.gz OBTMVDDYNDQIHI-SFHVURJKSA-N 2 2 327.432 2.107 20 30 EEEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598723245 468975243 /nfs/dbraw/zinc/97/52/43/468975243.db2.gz FSNBQPPZBNMFQW-QAPCUYQASA-N 2 2 330.476 2.497 20 30 EEEDLP C[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862117 469126745 /nfs/dbraw/zinc/12/67/45/469126745.db2.gz LBIMBODHRNIDIM-YOEHRIQHSA-N 2 2 348.878 2.485 20 30 EEEDLP C=CCCn1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)nn1 ZINC000656770471 471837274 /nfs/dbraw/zinc/83/72/74/471837274.db2.gz CLOVQMVOVWRWTR-QGZVFWFLSA-N 2 2 341.463 2.002 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740345 681401833 /nfs/dbraw/zinc/40/18/33/681401833.db2.gz QNYMFCNAQDFZAR-QGZVFWFLSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740345 681401838 /nfs/dbraw/zinc/40/18/38/681401838.db2.gz QNYMFCNAQDFZAR-QGZVFWFLSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755215 682103669 /nfs/dbraw/zinc/10/36/69/682103669.db2.gz ISQNINNDBPYWPE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755215 682103670 /nfs/dbraw/zinc/10/36/70/682103670.db2.gz ISQNINNDBPYWPE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001028755215 682103673 /nfs/dbraw/zinc/10/36/73/682103673.db2.gz ISQNINNDBPYWPE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001028755215 682103675 /nfs/dbraw/zinc/10/36/75/682103675.db2.gz ISQNINNDBPYWPE-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027443000 688180257 /nfs/dbraw/zinc/18/02/57/688180257.db2.gz HWODAIIBXAHREL-LSDHHAIUSA-N 2 2 336.867 2.436 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027443000 688180258 /nfs/dbraw/zinc/18/02/58/688180258.db2.gz HWODAIIBXAHREL-LSDHHAIUSA-N 2 2 336.867 2.436 20 30 EEEDLP CC[NH+]=C(NCC1CCOCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179226341 691045664 /nfs/dbraw/zinc/04/56/64/691045664.db2.gz IPFPQECUWRYMDT-RDJZCZTQSA-N 2 2 333.480 2.158 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978364130 693529390 /nfs/dbraw/zinc/52/93/90/693529390.db2.gz DQMHVRSFIGIUIP-LUKYLMHMSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978364130 693529394 /nfs/dbraw/zinc/52/93/94/693529394.db2.gz DQMHVRSFIGIUIP-LUKYLMHMSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978364130 693529396 /nfs/dbraw/zinc/52/93/96/693529396.db2.gz DQMHVRSFIGIUIP-LUKYLMHMSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978364130 693529400 /nfs/dbraw/zinc/52/94/00/693529400.db2.gz DQMHVRSFIGIUIP-LUKYLMHMSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107025377 1192712524 /nfs/dbraw/zinc/71/25/24/1192712524.db2.gz QZERUASSRHOHNN-NVXWUHKLSA-N 2 2 347.528 2.366 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107025377 1192712528 /nfs/dbraw/zinc/71/25/28/1192712528.db2.gz QZERUASSRHOHNN-NVXWUHKLSA-N 2 2 347.528 2.366 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123481 1192897512 /nfs/dbraw/zinc/89/75/12/1192897512.db2.gz UTLFGCUIQWXYBU-NVXWUHKLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123481 1192897515 /nfs/dbraw/zinc/89/75/15/1192897515.db2.gz UTLFGCUIQWXYBU-NVXWUHKLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001505824542 1187659434 /nfs/dbraw/zinc/65/94/34/1187659434.db2.gz UECUWOFHRSOXMF-UHFFFAOYSA-N 2 2 326.872 2.179 20 30 EEEDLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)cc1 ZINC001485897759 1193643835 /nfs/dbraw/zinc/64/38/35/1193643835.db2.gz AWKSXIIMXJPZQC-HNNXBMFYSA-N 2 2 347.422 2.456 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001484067631 1191187802 /nfs/dbraw/zinc/18/78/02/1191187802.db2.gz LBDYKOACLBDMAN-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001484067631 1191187803 /nfs/dbraw/zinc/18/78/03/1191187803.db2.gz LBDYKOACLBDMAN-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001484067631 1191187805 /nfs/dbraw/zinc/18/78/05/1191187805.db2.gz LBDYKOACLBDMAN-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001484067631 1191187807 /nfs/dbraw/zinc/18/78/07/1191187807.db2.gz LBDYKOACLBDMAN-LJQANCHMSA-N 2 2 346.450 2.120 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415558 1194535446 /nfs/dbraw/zinc/53/54/46/1194535446.db2.gz JHOZUHAAPXHENG-YOEHRIQHSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415558 1194535449 /nfs/dbraw/zinc/53/54/49/1194535449.db2.gz JHOZUHAAPXHENG-YOEHRIQHSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415558 1194535453 /nfs/dbraw/zinc/53/54/53/1194535453.db2.gz JHOZUHAAPXHENG-YOEHRIQHSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415558 1194535459 /nfs/dbraw/zinc/53/54/59/1194535459.db2.gz JHOZUHAAPXHENG-YOEHRIQHSA-N 2 2 345.890 2.484 20 30 EEEDLP C=CCC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034218016 1195957788 /nfs/dbraw/zinc/95/77/88/1195957788.db2.gz XULNKBQUESCAFJ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034218016 1195957791 /nfs/dbraw/zinc/95/77/91/1195957791.db2.gz XULNKBQUESCAFJ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034218016 1195957795 /nfs/dbraw/zinc/95/77/95/1195957795.db2.gz XULNKBQUESCAFJ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034218016 1195957798 /nfs/dbraw/zinc/95/77/98/1195957798.db2.gz XULNKBQUESCAFJ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132141154 1199374721 /nfs/dbraw/zinc/37/47/21/1199374721.db2.gz 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20 30 EEEDLP C=CCCC(=O)NCC[NH+]1CCC(Nc2cc(C)[nH+]c(CC)n2)CC1 ZINC001111313957 1210206535 /nfs/dbraw/zinc/20/65/35/1210206535.db2.gz CIRNNLVPSIMVFD-UHFFFAOYSA-N 2 2 345.491 2.306 20 30 EEEDLP CC(C)[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+]1CCOCC1 ZINC000303787749 1213905038 /nfs/dbraw/zinc/90/50/38/1213905038.db2.gz SSZVZDSJUWJIJM-SFHVURJKSA-N 2 2 332.492 2.051 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC000957570624 1215220532 /nfs/dbraw/zinc/22/05/32/1215220532.db2.gz FOPAEVFTMFPIOI-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961424330 1217184984 /nfs/dbraw/zinc/18/49/84/1217184984.db2.gz TYESUYFZLKXUPW-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961424330 1217184985 /nfs/dbraw/zinc/18/49/85/1217184985.db2.gz TYESUYFZLKXUPW-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP 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C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049698740 1241910211 /nfs/dbraw/zinc/91/02/11/1241910211.db2.gz QCTUWYTVVXLTKV-HRCADAONSA-N 2 2 327.900 2.390 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049698740 1241910218 /nfs/dbraw/zinc/91/02/18/1241910218.db2.gz QCTUWYTVVXLTKV-HRCADAONSA-N 2 2 327.900 2.390 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001001539687 1242454486 /nfs/dbraw/zinc/45/44/86/1242454486.db2.gz PYOQPEXNNIMMOV-OAHLLOKOSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050081158 1242802668 /nfs/dbraw/zinc/80/26/68/1242802668.db2.gz PTIRMRARWYHKLD-YQVWRLOYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050081158 1242802682 /nfs/dbraw/zinc/80/26/82/1242802682.db2.gz PTIRMRARWYHKLD-YQVWRLOYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001050118475 1242915891 /nfs/dbraw/zinc/91/58/91/1242915891.db2.gz CQHAPKSYGVXEED-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050118475 1242915900 /nfs/dbraw/zinc/91/59/00/1242915900.db2.gz CQHAPKSYGVXEED-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050118475 1242915910 /nfs/dbraw/zinc/91/59/10/1242915910.db2.gz CQHAPKSYGVXEED-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050118475 1242915922 /nfs/dbraw/zinc/91/59/22/1242915922.db2.gz CQHAPKSYGVXEED-HRCADAONSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052502141 1247439280 /nfs/dbraw/zinc/43/92/80/1247439280.db2.gz ATRIFEFSHFWLLV-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052502141 1247439285 /nfs/dbraw/zinc/43/92/85/1247439285.db2.gz ATRIFEFSHFWLLV-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054172983 1247605468 /nfs/dbraw/zinc/60/54/68/1247605468.db2.gz DURKPGJQCDXDPC-KRWDZBQOSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054172983 1247605478 /nfs/dbraw/zinc/60/54/78/1247605478.db2.gz DURKPGJQCDXDPC-KRWDZBQOSA-N 2 2 336.867 2.340 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200100 1247698208 /nfs/dbraw/zinc/69/82/08/1247698208.db2.gz QIGGPGVTUXJERV-GPMSIDNRSA-N 2 2 328.460 2.024 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200100 1247698220 /nfs/dbraw/zinc/69/82/20/1247698220.db2.gz QIGGPGVTUXJERV-GPMSIDNRSA-N 2 2 328.460 2.024 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]Cc3ccccc3C#N)ccn12 ZINC001491456031 1259098960 /nfs/dbraw/zinc/09/89/60/1259098960.db2.gz LEZZLTZECQFAKW-CQSZACIVSA-N 2 2 347.422 2.423 20 30 EEEDLP C#CCCC[NH+]1CCC2(CCC(=O)N(CCn3cc[nH+]c3)C2)CC1 ZINC001273542140 1279572933 /nfs/dbraw/zinc/57/29/33/1279572933.db2.gz PGCCZWHOOPEGFE-UHFFFAOYSA-N 2 2 328.460 2.001 20 30 EEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018975 1281177657 /nfs/dbraw/zinc/17/76/57/1281177657.db2.gz HZKMYRYUIMXSGY-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018975 1281177661 /nfs/dbraw/zinc/17/76/61/1281177661.db2.gz HZKMYRYUIMXSGY-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018975 1281177663 /nfs/dbraw/zinc/17/76/63/1281177663.db2.gz HZKMYRYUIMXSGY-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018975 1281177666 /nfs/dbraw/zinc/17/76/66/1281177666.db2.gz HZKMYRYUIMXSGY-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192007134 1281759273 /nfs/dbraw/zinc/75/92/73/1281759273.db2.gz MEIIUKVNKQZBNC-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192007134 1281759283 /nfs/dbraw/zinc/75/92/83/1281759283.db2.gz MEIIUKVNKQZBNC-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192007135 1281760446 /nfs/dbraw/zinc/76/04/46/1281760446.db2.gz MEIIUKVNKQZBNC-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192007135 1281760448 /nfs/dbraw/zinc/76/04/48/1281760448.db2.gz MEIIUKVNKQZBNC-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309335 1283979169 /nfs/dbraw/zinc/97/91/69/1283979169.db2.gz BFQBLKVYJURAPS-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309335 1283979176 /nfs/dbraw/zinc/97/91/76/1283979176.db2.gz BFQBLKVYJURAPS-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP CC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197705610 1284763654 /nfs/dbraw/zinc/76/36/54/1284763654.db2.gz BCSNMPCUDPNFJZ-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197705610 1284763664 /nfs/dbraw/zinc/76/36/64/1284763664.db2.gz BCSNMPCUDPNFJZ-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197705610 1284763674 /nfs/dbraw/zinc/76/36/74/1284763674.db2.gz BCSNMPCUDPNFJZ-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001197705610 1284763686 /nfs/dbraw/zinc/76/36/86/1284763686.db2.gz BCSNMPCUDPNFJZ-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP C=CC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1OC ZINC001198924469 1285419902 /nfs/dbraw/zinc/41/99/02/1285419902.db2.gz IXZAXPGVKWBQIC-RDJZCZTQSA-N 2 2 342.443 2.476 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099019819 1298809860 /nfs/dbraw/zinc/80/98/60/1298809860.db2.gz KJFDHSWUGJNIJD-DOXZYTNZSA-N 2 2 328.460 2.376 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099019819 1298809872 /nfs/dbraw/zinc/80/98/72/1298809872.db2.gz KJFDHSWUGJNIJD-DOXZYTNZSA-N 2 2 328.460 2.376 20 30 EEEDLP N#Cc1cc[nH]c1C[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001276840678 1299876888 /nfs/dbraw/zinc/87/68/88/1299876888.db2.gz STSLHVJUSKZZGA-MOPGFXCFSA-N 2 2 338.459 2.308 20 30 EEEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001225590648 1301076941 /nfs/dbraw/zinc/07/69/41/1301076941.db2.gz CKOYKXBJVXTBGJ-GOSISDBHSA-N 2 2 330.476 2.089 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227165617 1301717865 /nfs/dbraw/zinc/71/78/65/1301717865.db2.gz NUJZBQMOZMMUGG-BRWVUGGUSA-N 2 2 330.476 2.429 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138646 1302298402 /nfs/dbraw/zinc/29/84/02/1302298402.db2.gz WTOHZYUFMSHFRZ-HZPDHXFCSA-N 2 2 331.460 2.283 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138646 1302298409 /nfs/dbraw/zinc/29/84/09/1302298409.db2.gz WTOHZYUFMSHFRZ-HZPDHXFCSA-N 2 2 331.460 2.283 20 30 EEEDLP C=C(Cl)C[N@@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835348 1303489213 /nfs/dbraw/zinc/48/92/13/1303489213.db2.gz BPAIIQMBNSLEJH-UHFFFAOYSA-N 2 2 338.883 2.094 20 30 EEEDLP C=C(Cl)C[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835348 1303489218 /nfs/dbraw/zinc/48/92/18/1303489218.db2.gz BPAIIQMBNSLEJH-UHFFFAOYSA-N 2 2 338.883 2.094 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC001232083322 1303994321 /nfs/dbraw/zinc/99/43/21/1303994321.db2.gz YQLMRBYPDMHZET-UHFFFAOYSA-N 2 2 328.504 2.490 20 30 EEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001112423853 1304541729 /nfs/dbraw/zinc/54/17/29/1304541729.db2.gz IIYKBALOWUMWMT-PXNSSMCTSA-N 2 2 343.471 2.427 20 30 EEEDLP N#CCC[NH+]1CCC2(CCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001277936889 1305188489 /nfs/dbraw/zinc/18/84/89/1305188489.db2.gz SQDXWLZXNRXYAN-SFHVURJKSA-N 2 2 344.503 2.089 20 30 EEEDLP N#Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360937 1309313155 /nfs/dbraw/zinc/31/31/55/1309313155.db2.gz QADIPMWYWXKCSW-NRFANRHFSA-N 3 2 332.451 2.445 20 30 EEEDLP N#Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360937 1309313161 /nfs/dbraw/zinc/31/31/61/1309313161.db2.gz QADIPMWYWXKCSW-NRFANRHFSA-N 3 2 332.451 2.445 20 30 EEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001121318323 1309979368 /nfs/dbraw/zinc/97/93/68/1309979368.db2.gz FDERCAGBSXJLEJ-AKJOHPPZSA-N 2 2 342.487 2.429 20 30 EEEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246032147 1310216294 /nfs/dbraw/zinc/21/62/94/1310216294.db2.gz LFMCUVDHOGWATQ-MJGOQNOKSA-N 2 2 339.524 2.042 20 30 EEEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246032147 1310216297 /nfs/dbraw/zinc/21/62/97/1310216297.db2.gz LFMCUVDHOGWATQ-MJGOQNOKSA-N 2 2 339.524 2.042 20 30 EEEDLP C=CCn1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cn1 ZINC001139769877 1314768473 /nfs/dbraw/zinc/76/84/73/1314768473.db2.gz TYGUKSDPEXBAGG-UXHICEINSA-N 2 2 344.503 2.249 20 30 EEEDLP C=CCn1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cn1 ZINC001139769877 1314768478 /nfs/dbraw/zinc/76/84/78/1314768478.db2.gz TYGUKSDPEXBAGG-UXHICEINSA-N 2 2 344.503 2.249 20 30 EEEDLP C=CCn1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cn1 ZINC001139769877 1314768481 /nfs/dbraw/zinc/76/84/81/1314768481.db2.gz TYGUKSDPEXBAGG-UXHICEINSA-N 2 2 344.503 2.249 20 30 EEEDLP C=CCn1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cn1 ZINC001139769877 1314768483 /nfs/dbraw/zinc/76/84/83/1314768483.db2.gz TYGUKSDPEXBAGG-UXHICEINSA-N 2 2 344.503 2.249 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380216 1316249198 /nfs/dbraw/zinc/24/91/98/1316249198.db2.gz PQSMOAYDQKKHQH-IRXDYDNUSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380216 1316249203 /nfs/dbraw/zinc/24/92/03/1316249203.db2.gz PQSMOAYDQKKHQH-IRXDYDNUSA-N 2 2 334.464 2.008 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033848 1316941453 /nfs/dbraw/zinc/94/14/53/1316941453.db2.gz OQGRLAYCKPTXOD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033848 1316941455 /nfs/dbraw/zinc/94/14/55/1316941455.db2.gz OQGRLAYCKPTXOD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033848 1316941456 /nfs/dbraw/zinc/94/14/56/1316941456.db2.gz OQGRLAYCKPTXOD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033848 1316941459 /nfs/dbraw/zinc/94/14/59/1316941459.db2.gz OQGRLAYCKPTXOD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070192 1316949220 /nfs/dbraw/zinc/94/92/20/1316949220.db2.gz SLPPDJGSLLKKMK-CYBMUJFWSA-N 2 2 348.329 2.452 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070192 1316949223 /nfs/dbraw/zinc/94/92/23/1316949223.db2.gz SLPPDJGSLLKKMK-CYBMUJFWSA-N 2 2 348.329 2.452 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154070192 1316949225 /nfs/dbraw/zinc/94/92/25/1316949225.db2.gz SLPPDJGSLLKKMK-CYBMUJFWSA-N 2 2 348.329 2.452 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154070192 1316949226 /nfs/dbraw/zinc/94/92/26/1316949226.db2.gz SLPPDJGSLLKKMK-CYBMUJFWSA-N 2 2 348.329 2.452 20 30 EEEDLP C=C1C[C@@H]2CC([NH+]3CCN(CC[NH+]4CCOCC4)CC3)C[C@H](C1)C2 ZINC001257893021 1319099650 /nfs/dbraw/zinc/09/96/50/1319099650.db2.gz KKUSHKIKXWKIKP-YOFSQIOKSA-N 2 2 333.520 2.071 20 30 EEEDLP Cc1[nH+]c2c(n1-c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC[NH2+]CC2 ZINC001165357203 1321508306 /nfs/dbraw/zinc/50/83/06/1321508306.db2.gz VJRYEMUTRKNLNB-UHFFFAOYSA-N 2 2 348.366 2.197 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001209213685 1324857157 /nfs/dbraw/zinc/85/71/57/1324857157.db2.gz UPCMDHUOUUDZSW-PKOBYXMFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001209213685 1324857162 /nfs/dbraw/zinc/85/71/62/1324857162.db2.gz UPCMDHUOUUDZSW-PKOBYXMFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001340422374 1337180734 /nfs/dbraw/zinc/18/07/34/1337180734.db2.gz SLOUYPJECMLDBJ-IRXDYDNUSA-N 2 2 346.523 2.369 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340422374 1337180737 /nfs/dbraw/zinc/18/07/37/1337180737.db2.gz SLOUYPJECMLDBJ-IRXDYDNUSA-N 2 2 346.523 2.369 20 30 EEEDLP C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341451216 1337291831 /nfs/dbraw/zinc/29/18/31/1337291831.db2.gz APSCJUBHZPQTLW-SJLPKXTDSA-N 2 2 334.508 2.295 20 30 EEEDLP C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341451216 1337291833 /nfs/dbraw/zinc/29/18/33/1337291833.db2.gz APSCJUBHZPQTLW-SJLPKXTDSA-N 2 2 334.508 2.295 20 30 EEEDLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001401334122 1397167772 /nfs/dbraw/zinc/16/77/72/1397167772.db2.gz HUJUNXQVWMVLTN-SFHVURJKSA-N 2 2 339.443 2.075 20 30 EEEDLP O=C(NC1CC(C[NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001755213160 1407225642 /nfs/dbraw/zinc/22/56/42/1407225642.db2.gz VWGCNXNQBLKBKD-CSODTCANSA-N 2 2 348.450 2.049 20 30 EEEDLP O=C(NC1CC(C[NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001755213160 1407225647 /nfs/dbraw/zinc/22/56/47/1407225647.db2.gz VWGCNXNQBLKBKD-CSODTCANSA-N 2 2 348.450 2.049 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC001755707343 1407759847 /nfs/dbraw/zinc/75/98/47/1407759847.db2.gz SAUYVUBUOSVBKB-BPQIPLTHSA-N 2 2 343.471 2.426 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167009 757437724 /nfs/dbraw/zinc/43/77/24/757437724.db2.gz BXBITNPHUIUHDP-ZDUSSCGKSA-N 2 2 336.867 2.458 20 30 EEEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345618 759607453 /nfs/dbraw/zinc/60/74/53/759607453.db2.gz LCCCAMXPWXKXLK-NVXWUHKLSA-N 2 2 330.476 2.024 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C(C)(C)[C@H]21 ZINC001087290834 761490408 /nfs/dbraw/zinc/49/04/08/761490408.db2.gz JQNIEPNIXRYINU-LZQZEXGQSA-N 2 2 343.471 2.424 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C(C)(C)[C@H]21 ZINC001087290834 761490414 /nfs/dbraw/zinc/49/04/14/761490414.db2.gz JQNIEPNIXRYINU-LZQZEXGQSA-N 2 2 343.471 2.424 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]cn1C ZINC001087312198 761580307 /nfs/dbraw/zinc/58/03/07/761580307.db2.gz APAXGJVPUJOKCA-BPQIPLTHSA-N 2 2 330.476 2.144 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]cn1C ZINC001087312198 761580310 /nfs/dbraw/zinc/58/03/10/761580310.db2.gz APAXGJVPUJOKCA-BPQIPLTHSA-N 2 2 330.476 2.144 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087316416 761608975 /nfs/dbraw/zinc/60/89/75/761608975.db2.gz RFKFOCVMRBKFHG-ZTFGCOKTSA-N 2 2 330.476 2.442 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087316416 761608976 /nfs/dbraw/zinc/60/89/76/761608976.db2.gz RFKFOCVMRBKFHG-ZTFGCOKTSA-N 2 2 330.476 2.442 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089413483 768890885 /nfs/dbraw/zinc/89/08/85/768890885.db2.gz XKUSURSGCGWMIY-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089413483 768890898 /nfs/dbraw/zinc/89/08/98/768890898.db2.gz XKUSURSGCGWMIY-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089413483 768890911 /nfs/dbraw/zinc/89/09/11/768890911.db2.gz XKUSURSGCGWMIY-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089413483 768890925 /nfs/dbraw/zinc/89/09/25/768890925.db2.gz XKUSURSGCGWMIY-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416049 768927528 /nfs/dbraw/zinc/92/75/28/768927528.db2.gz GBUASDZNOQTJGI-INIZCTEOSA-N 2 2 330.476 2.167 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416049 768927537 /nfs/dbraw/zinc/92/75/37/768927537.db2.gz GBUASDZNOQTJGI-INIZCTEOSA-N 2 2 330.476 2.167 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868741 783004870 /nfs/dbraw/zinc/00/48/70/783004870.db2.gz FOWZJKZOZAVJJB-HPBDAGMYSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089868741 783004882 /nfs/dbraw/zinc/00/48/82/783004882.db2.gz FOWZJKZOZAVJJB-HPBDAGMYSA-N 2 2 328.460 2.087 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972182 773644723 /nfs/dbraw/zinc/64/47/23/773644723.db2.gz AGGVRSMCRGHUIM-USXIJHARSA-N 2 2 336.439 2.417 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972182 773644727 /nfs/dbraw/zinc/64/47/27/773644727.db2.gz AGGVRSMCRGHUIM-USXIJHARSA-N 2 2 336.439 2.417 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027943938 774779837 /nfs/dbraw/zinc/77/98/37/774779837.db2.gz PWMACOZTCZQZBW-MSOLQXFVSA-N 2 2 345.512 2.235 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001027943938 774779844 /nfs/dbraw/zinc/77/98/44/774779844.db2.gz PWMACOZTCZQZBW-MSOLQXFVSA-N 2 2 345.512 2.235 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027943938 774779847 /nfs/dbraw/zinc/77/98/47/774779847.db2.gz PWMACOZTCZQZBW-MSOLQXFVSA-N 2 2 345.512 2.235 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027943938 774779852 /nfs/dbraw/zinc/77/98/52/774779852.db2.gz PWMACOZTCZQZBW-MSOLQXFVSA-N 2 2 345.512 2.235 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000981354732 777242249 /nfs/dbraw/zinc/24/22/49/777242249.db2.gz SGHHBJHIAHWJMA-IRXDYDNUSA-N 2 2 337.427 2.041 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981456539 777444508 /nfs/dbraw/zinc/44/45/08/777444508.db2.gz CLBGFHUQQPOFOV-KRWDZBQOSA-N 2 2 346.500 2.138 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981456539 777444510 /nfs/dbraw/zinc/44/45/10/777444510.db2.gz CLBGFHUQQPOFOV-KRWDZBQOSA-N 2 2 346.500 2.138 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981456539 777444513 /nfs/dbraw/zinc/44/45/13/777444513.db2.gz CLBGFHUQQPOFOV-KRWDZBQOSA-N 2 2 346.500 2.138 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981456539 777444514 /nfs/dbraw/zinc/44/45/14/777444514.db2.gz CLBGFHUQQPOFOV-KRWDZBQOSA-N 2 2 346.500 2.138 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089839243 777494692 /nfs/dbraw/zinc/49/46/92/777494692.db2.gz RJBGOWSLALBTRE-NXOAAHMSSA-N 2 2 336.439 2.303 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089839243 777494700 /nfs/dbraw/zinc/49/47/00/777494700.db2.gz RJBGOWSLALBTRE-NXOAAHMSSA-N 2 2 336.439 2.303 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(=C)Cl)C[C@]2(C)C1 ZINC000982299191 779624958 /nfs/dbraw/zinc/62/49/58/779624958.db2.gz YOYOXAPPWJMFBM-YTQUADARSA-N 2 2 349.906 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=C)Cl)C[C@]2(C)C1 ZINC000982299191 779624960 /nfs/dbraw/zinc/62/49/60/779624960.db2.gz YOYOXAPPWJMFBM-YTQUADARSA-N 2 2 349.906 2.007 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC(=C)Cl)C[C@]2(C)C1 ZINC000982299191 779624963 /nfs/dbraw/zinc/62/49/63/779624963.db2.gz YOYOXAPPWJMFBM-YTQUADARSA-N 2 2 349.906 2.007 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC(=C)Cl)C[C@]2(C)C1 ZINC000982299191 779624966 /nfs/dbraw/zinc/62/49/66/779624966.db2.gz YOYOXAPPWJMFBM-YTQUADARSA-N 2 2 349.906 2.007 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803884 783482150 /nfs/dbraw/zinc/48/21/50/783482150.db2.gz ZPMQJCYGIICMEE-KURKYZTESA-N 2 2 328.460 2.028 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803884 783482156 /nfs/dbraw/zinc/48/21/56/783482156.db2.gz ZPMQJCYGIICMEE-KURKYZTESA-N 2 2 328.460 2.028 20 30 EEEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135852169 784604173 /nfs/dbraw/zinc/60/41/73/784604173.db2.gz BVLRISQGXQSHCS-CABCVRRESA-N 2 2 327.432 2.330 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035733124 785038848 /nfs/dbraw/zinc/03/88/48/785038848.db2.gz VDZLADYJYGOINB-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035733124 785038855 /nfs/dbraw/zinc/03/88/55/785038855.db2.gz VDZLADYJYGOINB-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=CCn1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nn1 ZINC000818224638 785224280 /nfs/dbraw/zinc/22/42/80/785224280.db2.gz NTKRVKAMMUPYJH-UHFFFAOYSA-N 2 2 340.475 2.289 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035844866 785276657 /nfs/dbraw/zinc/27/66/57/785276657.db2.gz RMVNKOWSUMEFGL-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001105734214 789307201 /nfs/dbraw/zinc/30/72/01/789307201.db2.gz GDZBLNAIEYVZNG-UHFFFAOYSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001105734096 789307368 /nfs/dbraw/zinc/30/73/68/789307368.db2.gz YZZWMBZOBFCIHL-UHFFFAOYSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997304268 789612832 /nfs/dbraw/zinc/61/28/32/789612832.db2.gz RAQTVNGFWGOTNN-DJIMGWMZSA-N 2 2 330.476 2.316 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045021 791881501 /nfs/dbraw/zinc/88/15/01/791881501.db2.gz INFVEDUSUKKOHF-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045021 791881503 /nfs/dbraw/zinc/88/15/03/791881503.db2.gz INFVEDUSUKKOHF-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920834 792984825 /nfs/dbraw/zinc/98/48/25/792984825.db2.gz ZQGWFXOYDZVIOT-INIZCTEOSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109968342 806296336 /nfs/dbraw/zinc/29/63/36/806296336.db2.gz BBDJLMQAFHFFKL-XWSJACJDSA-N 2 2 325.456 2.034 20 30 EEEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109968342 806296342 /nfs/dbraw/zinc/29/63/42/806296342.db2.gz BBDJLMQAFHFFKL-XWSJACJDSA-N 2 2 325.456 2.034 20 30 EEEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968342 806296348 /nfs/dbraw/zinc/29/63/48/806296348.db2.gz BBDJLMQAFHFFKL-XWSJACJDSA-N 2 2 325.456 2.034 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079200646 794448570 /nfs/dbraw/zinc/44/85/70/794448570.db2.gz CVJBCVBCLDPOGR-ZWKOTPCHSA-N 2 2 342.418 2.252 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212425838 795244628 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BDQWGVPVPPYXGC-MLGOLLRUSA-N 2 2 345.834 2.070 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080099259 795594637 /nfs/dbraw/zinc/59/46/37/795594637.db2.gz BDQWGVPVPPYXGC-MLGOLLRUSA-N 2 2 345.834 2.070 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655737 796058955 /nfs/dbraw/zinc/05/89/55/796058955.db2.gz AUBCQXXMNYOVBZ-MRVWCRGKSA-N 2 2 336.867 2.266 20 30 EEEDLP C[C@@H](CCCC#N)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001172498340 797009521 /nfs/dbraw/zinc/00/95/21/797009521.db2.gz LUHQGUFUQGOPGK-INIZCTEOSA-N 2 2 328.464 2.281 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176001004 798313293 /nfs/dbraw/zinc/31/32/93/798313293.db2.gz XUKCLVMKCUJPTH-HNNXBMFYSA-N 2 2 327.432 2.332 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001032837117 799441129 /nfs/dbraw/zinc/44/11/29/799441129.db2.gz ADQHRPYOSSSFND-MDZRGWNJSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001032837117 799441133 /nfs/dbraw/zinc/44/11/33/799441133.db2.gz ADQHRPYOSSSFND-MDZRGWNJSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001032837117 799441138 /nfs/dbraw/zinc/44/11/38/799441138.db2.gz ADQHRPYOSSSFND-MDZRGWNJSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001032837117 799441140 /nfs/dbraw/zinc/44/11/40/799441140.db2.gz ADQHRPYOSSSFND-MDZRGWNJSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C)c1 ZINC001085646610 800966307 /nfs/dbraw/zinc/96/63/07/800966307.db2.gz KBKVMJGGVJQQKS-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C)c1 ZINC001085646610 800966311 /nfs/dbraw/zinc/96/63/11/800966311.db2.gz KBKVMJGGVJQQKS-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1cccc(C)c1 ZINC001085646610 800966315 /nfs/dbraw/zinc/96/63/15/800966315.db2.gz KBKVMJGGVJQQKS-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1cccc(C)c1 ZINC001085646610 800966320 /nfs/dbraw/zinc/96/63/20/800966320.db2.gz KBKVMJGGVJQQKS-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181947570 800970271 /nfs/dbraw/zinc/97/02/71/800970271.db2.gz POMRSOVJJWDDNQ-GPMSIDNRSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001181951944 800973357 /nfs/dbraw/zinc/97/33/57/800973357.db2.gz MVGAIHJGONMIGP-MBOZVWFJSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470942 802158509 /nfs/dbraw/zinc/15/85/09/802158509.db2.gz WHUUPWJLSUFUGN-PKOBYXMFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470942 802158515 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RKOCMOBFHVHZCU-FGTMMUONSA-N 2 2 347.890 2.275 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623684 810913594 /nfs/dbraw/zinc/91/35/94/810913594.db2.gz RKOCMOBFHVHZCU-FGTMMUONSA-N 2 2 347.890 2.275 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623684 810913601 /nfs/dbraw/zinc/91/36/01/810913601.db2.gz RKOCMOBFHVHZCU-FGTMMUONSA-N 2 2 347.890 2.275 20 30 EEEDLP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086624934 810998939 /nfs/dbraw/zinc/99/89/39/810998939.db2.gz BRAKHNVHMYBVNB-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001086624934 810998945 /nfs/dbraw/zinc/99/89/45/810998945.db2.gz BRAKHNVHMYBVNB-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001086624934 810998950 /nfs/dbraw/zinc/99/89/50/810998950.db2.gz BRAKHNVHMYBVNB-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001086624934 810998954 /nfs/dbraw/zinc/99/89/54/810998954.db2.gz BRAKHNVHMYBVNB-XUVXKRRUSA-N 2 2 339.483 2.078 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001438269143 1090751860 /nfs/dbraw/zinc/75/18/60/1090751860.db2.gz FWTDROSHBOELNQ-IBGZPJMESA-N 2 2 342.487 2.323 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001438269143 1090751862 /nfs/dbraw/zinc/75/18/62/1090751862.db2.gz FWTDROSHBOELNQ-IBGZPJMESA-N 2 2 342.487 2.323 20 30 EEEDLP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001438269143 1090751865 /nfs/dbraw/zinc/75/18/65/1090751865.db2.gz FWTDROSHBOELNQ-IBGZPJMESA-N 2 2 342.487 2.323 20 30 EEEDLP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001438269143 1090751868 /nfs/dbraw/zinc/75/18/68/1090751868.db2.gz FWTDROSHBOELNQ-IBGZPJMESA-N 2 2 342.487 2.323 20 30 EEEDLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)s1 ZINC001480485931 1100295588 /nfs/dbraw/zinc/29/55/88/1100295588.db2.gz GQDIIHCEXBDLDA-NSHDSACASA-N 2 2 339.424 2.404 20 30 EEEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176956745 529778707 /nfs/dbraw/zinc/77/87/07/529778707.db2.gz VCZVJQFCEQNAOB-UHFFFAOYSA-N 2 2 327.457 2.056 20 30 EEEDLP C[NH+](Cc1cccc(C#N)c1)CC(O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000181770971 529993097 /nfs/dbraw/zinc/99/30/97/529993097.db2.gz CUZQQCZIADVPIU-UHFFFAOYSA-N 2 2 348.450 2.355 20 30 EEEDLP C[NH+](Cc1cccc(C#N)c1)CC(O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000181770971 529993099 /nfs/dbraw/zinc/99/30/99/529993099.db2.gz CUZQQCZIADVPIU-UHFFFAOYSA-N 2 2 348.450 2.355 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977444 464342575 /nfs/dbraw/zinc/34/25/75/464342575.db2.gz BLVSUVFHQPGEPR-MJGOQNOKSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977444 464342582 /nfs/dbraw/zinc/34/25/82/464342582.db2.gz BLVSUVFHQPGEPR-MJGOQNOKSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977444 464342591 /nfs/dbraw/zinc/34/25/91/464342591.db2.gz BLVSUVFHQPGEPR-MJGOQNOKSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977444 464342600 /nfs/dbraw/zinc/34/26/00/464342600.db2.gz BLVSUVFHQPGEPR-MJGOQNOKSA-N 2 2 342.487 2.201 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000328883511 465156975 /nfs/dbraw/zinc/15/69/75/465156975.db2.gz XWSQGLZYKVYLMX-HNNXBMFYSA-N 2 2 333.480 2.388 20 30 EEEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000329060906 465221313 /nfs/dbraw/zinc/22/13/13/465221313.db2.gz URMMRGGHLOQEPJ-HNNXBMFYSA-N 2 2 333.480 2.097 20 30 EEEDLP C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000337177222 465229709 /nfs/dbraw/zinc/22/97/09/465229709.db2.gz JHMOVFIWZGARKD-RBUKOAKNSA-N 2 2 348.535 2.045 20 30 EEEDLP C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000337177222 465229715 /nfs/dbraw/zinc/22/97/15/465229715.db2.gz JHMOVFIWZGARKD-RBUKOAKNSA-N 2 2 348.535 2.045 20 30 EEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000297721273 465268260 /nfs/dbraw/zinc/26/82/60/465268260.db2.gz BKIGRSRNDKUQRL-KRWDZBQOSA-N 2 2 340.471 2.099 20 30 EEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000297721273 465268267 /nfs/dbraw/zinc/26/82/67/465268267.db2.gz BKIGRSRNDKUQRL-KRWDZBQOSA-N 2 2 340.471 2.099 20 30 EEEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329276525 465286635 /nfs/dbraw/zinc/28/66/35/465286635.db2.gz LFQMVEMXWBSCDX-WBVHZDCISA-N 2 2 333.480 2.302 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](c2ccccc2)C1 ZINC000087561075 462611204 /nfs/dbraw/zinc/61/12/04/462611204.db2.gz WFACXYNKLVLMKK-INIZCTEOSA-N 2 2 340.475 2.051 20 30 EEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000076003694 462783492 /nfs/dbraw/zinc/78/34/92/462783492.db2.gz HATOJFPAUFZPFF-IRXDYDNUSA-N 2 2 334.508 2.381 20 30 EEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000076003694 462783495 /nfs/dbraw/zinc/78/34/95/462783495.db2.gz HATOJFPAUFZPFF-IRXDYDNUSA-N 2 2 334.508 2.381 20 30 EEEDLP CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000069739054 463312932 /nfs/dbraw/zinc/31/29/32/463312932.db2.gz CWRNDGCEGDOQHF-INIZCTEOSA-N 2 2 343.431 2.071 20 30 EEEDLP CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000069739054 463312937 /nfs/dbraw/zinc/31/29/37/463312937.db2.gz CWRNDGCEGDOQHF-INIZCTEOSA-N 2 2 343.431 2.071 20 30 EEEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000261659890 463818984 /nfs/dbraw/zinc/81/89/84/463818984.db2.gz FUVPIFLUHMMNNW-BRWVUGGUSA-N 2 2 330.476 2.301 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000298618578 465451983 /nfs/dbraw/zinc/45/19/83/465451983.db2.gz OMHFVZYHYUYXRX-QGZVFWFLSA-N 2 2 333.480 2.271 20 30 EEEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000271805007 464384544 /nfs/dbraw/zinc/38/45/44/464384544.db2.gz MBRYTRUEJCGUEY-UHFFFAOYSA-N 2 2 345.443 2.096 20 30 EEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963262 464473642 /nfs/dbraw/zinc/47/36/42/464473642.db2.gz KJEMMBDHSIBTKJ-KRWDZBQOSA-N 2 2 334.508 2.335 20 30 EEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963262 464473649 /nfs/dbraw/zinc/47/36/49/464473649.db2.gz KJEMMBDHSIBTKJ-KRWDZBQOSA-N 2 2 334.508 2.335 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963262 464473653 /nfs/dbraw/zinc/47/36/53/464473653.db2.gz KJEMMBDHSIBTKJ-KRWDZBQOSA-N 2 2 334.508 2.335 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963262 464473660 /nfs/dbraw/zinc/47/36/60/464473660.db2.gz KJEMMBDHSIBTKJ-KRWDZBQOSA-N 2 2 334.508 2.335 20 30 EEEDLP COc1ccc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000266999957 464900752 /nfs/dbraw/zinc/90/07/52/464900752.db2.gz GQYAZSNATGYUDG-UHFFFAOYSA-N 2 2 343.427 2.473 20 30 EEEDLP CC(C)Cc1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000267034507 464910892 /nfs/dbraw/zinc/91/08/92/464910892.db2.gz WWCMNCICOXTZNP-UHFFFAOYSA-N 2 2 331.420 2.167 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370150612 466777988 /nfs/dbraw/zinc/77/79/88/466777988.db2.gz SDQOUDWHDOFEJT-APWZRJJASA-N 2 2 342.487 2.025 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370150612 466777996 /nfs/dbraw/zinc/77/79/96/466777996.db2.gz SDQOUDWHDOFEJT-APWZRJJASA-N 2 2 342.487 2.025 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411322003 466807367 /nfs/dbraw/zinc/80/73/67/466807367.db2.gz IAXODXBIIAUVRN-KRWDZBQOSA-N 2 2 332.492 2.089 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411322003 466807372 /nfs/dbraw/zinc/80/73/72/466807372.db2.gz IAXODXBIIAUVRN-KRWDZBQOSA-N 2 2 332.492 2.089 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483421459 468007920 /nfs/dbraw/zinc/00/79/20/468007920.db2.gz UDLKWPCAUKQEOQ-RBUKOAKNSA-N 2 2 348.535 2.378 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483421459 468007923 /nfs/dbraw/zinc/00/79/23/468007923.db2.gz UDLKWPCAUKQEOQ-RBUKOAKNSA-N 2 2 348.535 2.378 20 30 EEEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000591770637 468517991 /nfs/dbraw/zinc/51/79/91/468517991.db2.gz WPFZHJSIYMEDRR-GOSISDBHSA-N 2 2 327.403 2.280 20 30 EEEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000591770637 468517997 /nfs/dbraw/zinc/51/79/97/468517997.db2.gz WPFZHJSIYMEDRR-GOSISDBHSA-N 2 2 327.403 2.280 20 30 EEEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3ccc(C#N)cc3)c2)CC1 ZINC000601802924 469032129 /nfs/dbraw/zinc/03/21/29/469032129.db2.gz DOGQRDRPVVMUGJ-UHFFFAOYSA-N 2 2 349.438 2.276 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988877 469131637 /nfs/dbraw/zinc/13/16/37/469131637.db2.gz SKFBSZYGXQSXCC-IRXDYDNUSA-N 2 2 340.427 2.095 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988877 469131654 /nfs/dbraw/zinc/13/16/54/469131654.db2.gz SKFBSZYGXQSXCC-IRXDYDNUSA-N 2 2 340.427 2.095 20 30 EEEDLP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)CC1 ZINC000563065279 469158685 /nfs/dbraw/zinc/15/86/85/469158685.db2.gz ZEAGRMGRESWAFR-AWEZNQCLSA-N 2 2 335.477 2.335 20 30 EEEDLP C=CCC1([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCCC1 ZINC000625936012 469439966 /nfs/dbraw/zinc/43/99/66/469439966.db2.gz WTQDVXPMCBILLH-UHFFFAOYSA-N 2 2 337.508 2.082 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157789 469898505 /nfs/dbraw/zinc/89/85/05/469898505.db2.gz XBJVIDKDUNAOQY-HZPDHXFCSA-N 2 2 329.448 2.251 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157789 469898506 /nfs/dbraw/zinc/89/85/06/469898506.db2.gz XBJVIDKDUNAOQY-HZPDHXFCSA-N 2 2 329.448 2.251 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC000668683636 472225337 /nfs/dbraw/zinc/22/53/37/472225337.db2.gz ZRBSIVHFUWEVIX-ZACQAIPSSA-N 2 2 330.476 2.338 20 30 EEEDLP C[NH+]=C(NCc1nc(C)cs1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160123905 526390584 /nfs/dbraw/zinc/39/05/84/526390584.db2.gz CIADZQBTVNYLOG-TZMCWYRMSA-N 2 2 332.477 2.307 20 30 EEEDLP C=C(C[NH+](C)C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000764576406 577739133 /nfs/dbraw/zinc/73/91/33/577739133.db2.gz MPMLPXNTJHUDCM-UHFFFAOYSA-N 2 2 330.476 2.264 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001023124224 679134363 /nfs/dbraw/zinc/13/43/63/679134363.db2.gz CQPPYFQGLZGRBZ-OKILXGFUSA-N 2 2 339.892 2.096 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001023124224 679134364 /nfs/dbraw/zinc/13/43/64/679134364.db2.gz CQPPYFQGLZGRBZ-OKILXGFUSA-N 2 2 339.892 2.096 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516781 680022115 /nfs/dbraw/zinc/02/21/15/680022115.db2.gz NPKKWZDGFSXFPS-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516781 680022122 /nfs/dbraw/zinc/02/21/22/680022122.db2.gz NPKKWZDGFSXFPS-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516781 680022124 /nfs/dbraw/zinc/02/21/24/680022124.db2.gz NPKKWZDGFSXFPS-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516781 680022132 /nfs/dbraw/zinc/02/21/32/680022132.db2.gz NPKKWZDGFSXFPS-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024738517 681404544 /nfs/dbraw/zinc/40/45/44/681404544.db2.gz UBXJOYALLRJQKD-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024738517 681404546 /nfs/dbraw/zinc/40/45/46/681404546.db2.gz UBXJOYALLRJQKD-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029342319 684042090 /nfs/dbraw/zinc/04/20/90/684042090.db2.gz JHNGDAGWVXDMEP-ZCNNSNEGSA-N 2 2 341.499 2.260 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029342319 684042095 /nfs/dbraw/zinc/04/20/95/684042095.db2.gz JHNGDAGWVXDMEP-ZCNNSNEGSA-N 2 2 341.499 2.260 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029342319 684042099 /nfs/dbraw/zinc/04/20/99/684042099.db2.gz JHNGDAGWVXDMEP-ZCNNSNEGSA-N 2 2 341.499 2.260 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029342319 684042105 /nfs/dbraw/zinc/04/21/05/684042105.db2.gz 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332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164332 464552843 /nfs/dbraw/zinc/55/28/43/464552843.db2.gz IIRMXTHLIACSDX-IRXDYDNUSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265518370 464589529 /nfs/dbraw/zinc/58/95/29/464589529.db2.gz SMLNGHGKMXPDOM-AWEZNQCLSA-N 2 2 329.448 2.320 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984927 464670999 /nfs/dbraw/zinc/67/09/99/464670999.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984927 464671005 /nfs/dbraw/zinc/67/10/05/464671005.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@@H+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000294984927 464671014 /nfs/dbraw/zinc/67/10/14/464671014.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000294984927 464671020 /nfs/dbraw/zinc/67/10/20/464671020.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000294984927 464671023 /nfs/dbraw/zinc/67/10/23/464671023.db2.gz KWQDYKKLXZEWLP-RBUKOAKNSA-N 2 2 349.906 2.256 20 30 EEEDLP C[C@H](C#N)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182833599 464738752 /nfs/dbraw/zinc/73/87/52/464738752.db2.gz NGEXILDDTBVTDC-BPQIPLTHSA-N 2 2 349.523 2.125 20 30 EEEDLP C[C@H](C#N)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182833599 464738757 /nfs/dbraw/zinc/73/87/57/464738757.db2.gz NGEXILDDTBVTDC-BPQIPLTHSA-N 2 2 349.523 2.125 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357094874 465769301 /nfs/dbraw/zinc/76/93/01/465769301.db2.gz ZBFKFERXGCYHAH-ARFHVFGLSA-N 2 2 333.501 2.193 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357094874 465769316 /nfs/dbraw/zinc/76/93/16/465769316.db2.gz ZBFKFERXGCYHAH-ARFHVFGLSA-N 2 2 333.501 2.193 20 30 EEEDLP Cc1c(C#N)cccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338122588 465833434 /nfs/dbraw/zinc/83/34/34/465833434.db2.gz YEYSGHJVTRHQHG-HNNXBMFYSA-N 2 2 340.471 2.107 20 30 EEEDLP Cc1c(C#N)cccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338122588 465833440 /nfs/dbraw/zinc/83/34/40/465833440.db2.gz YEYSGHJVTRHQHG-HNNXBMFYSA-N 2 2 340.471 2.107 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000345809518 465905058 /nfs/dbraw/zinc/90/50/58/465905058.db2.gz DTBPQUPZJIGZMP-ROUUACIJSA-N 2 2 349.523 2.269 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000345809518 465905064 /nfs/dbraw/zinc/90/50/64/465905064.db2.gz DTBPQUPZJIGZMP-ROUUACIJSA-N 2 2 349.523 2.269 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)CCC#N)CC2)CC1 ZINC000376696849 466925514 /nfs/dbraw/zinc/92/55/14/466925514.db2.gz QSXXDFDYBHSRHK-UHFFFAOYSA-N 2 2 349.523 2.174 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424293796 467023646 /nfs/dbraw/zinc/02/36/46/467023646.db2.gz JJFSVEQNIHELOR-YSIASYRMSA-N 2 2 337.471 2.464 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424293796 467023652 /nfs/dbraw/zinc/02/36/52/467023652.db2.gz JJFSVEQNIHELOR-YSIASYRMSA-N 2 2 337.471 2.464 20 30 EEEDLP Cc1[nH+]c2cc(CNC(=O)[C@H]([NH3+])CCCC#N)ccc2n1C1CC1 ZINC000566194624 468147482 /nfs/dbraw/zinc/14/74/82/468147482.db2.gz CESQONPYLAVZFL-OAHLLOKOSA-N 2 2 325.416 2.317 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)CCO1 ZINC000562987258 469124717 /nfs/dbraw/zinc/12/47/17/469124717.db2.gz WXVBCYOMTWWXBT-VQIMIIECSA-N 2 2 326.444 2.440 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)CCO1 ZINC000562987258 469124723 /nfs/dbraw/zinc/12/47/23/469124723.db2.gz WXVBCYOMTWWXBT-VQIMIIECSA-N 2 2 326.444 2.440 20 30 EEEDLP CN(c1nc(C#N)c(Cl)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596126452 469167882 /nfs/dbraw/zinc/16/78/82/469167882.db2.gz STHYLNJHPGVOJM-GFCCVEGCSA-N 2 2 339.896 2.273 20 30 EEEDLP CN(c1nc(C#N)c(Cl)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596126452 469167887 /nfs/dbraw/zinc/16/78/87/469167887.db2.gz STHYLNJHPGVOJM-GFCCVEGCSA-N 2 2 339.896 2.273 20 30 EEEDLP CC[NH+]=C(NCCc1nccs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160082315 528808238 /nfs/dbraw/zinc/80/82/38/528808238.db2.gz ICTLLFPKDNBVOV-GJZGRUSLSA-N 2 2 346.504 2.431 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000730106052 576716316 /nfs/dbraw/zinc/71/63/16/576716316.db2.gz RKWROZBPMKPUQT-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000730106052 576716319 /nfs/dbraw/zinc/71/63/19/576716319.db2.gz RKWROZBPMKPUQT-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000730106052 576716321 /nfs/dbraw/zinc/71/63/21/576716321.db2.gz RKWROZBPMKPUQT-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000730106052 576716323 /nfs/dbraw/zinc/71/63/23/576716323.db2.gz RKWROZBPMKPUQT-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccccc2[N+](=O)[O-])cc1 ZINC000747838900 577951178 /nfs/dbraw/zinc/95/11/78/577951178.db2.gz QWMNSHAVTSXWJZ-UHFFFAOYSA-N 2 2 328.372 2.494 20 30 EEEDLP C#CCC[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000740736511 578106413 /nfs/dbraw/zinc/10/64/13/578106413.db2.gz XIQDWMXESIUSDC-UHFFFAOYSA-N 2 2 336.439 2.149 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970001234 675374932 /nfs/dbraw/zinc/37/49/32/675374932.db2.gz PCXVCOPVKDHOCR-UKRRQHHQSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970001234 675374934 /nfs/dbraw/zinc/37/49/34/675374934.db2.gz PCXVCOPVKDHOCR-UKRRQHHQSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724088 676382808 /nfs/dbraw/zinc/38/28/08/676382808.db2.gz IZDPWNOBEFSYND-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724088 676382810 /nfs/dbraw/zinc/38/28/10/676382810.db2.gz IZDPWNOBEFSYND-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189298 678372399 /nfs/dbraw/zinc/37/23/99/678372399.db2.gz OZQQRTPEFOSCON-AWEZNQCLSA-N 2 2 325.840 2.240 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189298 678372401 /nfs/dbraw/zinc/37/24/01/678372401.db2.gz OZQQRTPEFOSCON-AWEZNQCLSA-N 2 2 325.840 2.240 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001023380643 679280189 /nfs/dbraw/zinc/28/01/89/679280189.db2.gz DSMASTCFPHKGNU-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001023380643 679280190 /nfs/dbraw/zinc/28/01/90/679280190.db2.gz DSMASTCFPHKGNU-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380643 679280191 /nfs/dbraw/zinc/28/01/91/679280191.db2.gz DSMASTCFPHKGNU-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380643 679280192 /nfs/dbraw/zinc/28/01/92/679280192.db2.gz DSMASTCFPHKGNU-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906899 682460972 /nfs/dbraw/zinc/46/09/72/682460972.db2.gz YFQZRKHFMLIAOW-MRXNPFEDSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906899 682460973 /nfs/dbraw/zinc/46/09/73/682460973.db2.gz YFQZRKHFMLIAOW-MRXNPFEDSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001026517507 684712636 /nfs/dbraw/zinc/71/26/36/684712636.db2.gz KKSUGIFKTLGJIJ-NFOMZHRRSA-N 2 2 336.867 2.215 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001027421059 688059362 /nfs/dbraw/zinc/05/93/62/688059362.db2.gz ILPMJLNXQWYKDO-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001027421059 688059366 /nfs/dbraw/zinc/05/93/66/688059366.db2.gz ILPMJLNXQWYKDO-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC000987188240 689459752 /nfs/dbraw/zinc/45/97/52/689459752.db2.gz YPORORFSNXDFEU-DOTOQJQBSA-N 2 2 326.444 2.340 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989486158 691967092 /nfs/dbraw/zinc/96/70/92/691967092.db2.gz IVPOZTXLAYAYES-JKSUJKDBSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989486158 691967095 /nfs/dbraw/zinc/96/70/95/691967095.db2.gz IVPOZTXLAYAYES-JKSUJKDBSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001027600781 693418392 /nfs/dbraw/zinc/41/83/92/693418392.db2.gz MBYUUYUGEXNOSE-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001027600781 693418394 /nfs/dbraw/zinc/41/83/94/693418394.db2.gz MBYUUYUGEXNOSE-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943256702 1192145051 /nfs/dbraw/zinc/14/50/51/1192145051.db2.gz TVDBFRZASZUYPL-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943256702 1192145053 /nfs/dbraw/zinc/14/50/53/1192145053.db2.gz TVDBFRZASZUYPL-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001089888118 1192776063 /nfs/dbraw/zinc/77/60/63/1192776063.db2.gz CDOPVFDBSBTFIR-VGWMRTNUSA-N 2 2 328.460 2.042 20 30 EEEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001089888118 1192776066 /nfs/dbraw/zinc/77/60/66/1192776066.db2.gz CDOPVFDBSBTFIR-VGWMRTNUSA-N 2 2 328.460 2.042 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001088353139 1186653800 /nfs/dbraw/zinc/65/38/00/1186653800.db2.gz RHAHVGMOAUGZFJ-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001088353139 1186653801 /nfs/dbraw/zinc/65/38/01/1186653801.db2.gz RHAHVGMOAUGZFJ-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001105473333 1188023948 /nfs/dbraw/zinc/02/39/48/1188023948.db2.gz VWDRIVYPJFYBKG-UHFFFAOYSA-N 2 2 346.475 2.048 20 30 EEEDLP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001105473333 1188023951 /nfs/dbraw/zinc/02/39/51/1188023951.db2.gz 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CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104196 1323850705 /nfs/dbraw/zinc/85/07/05/1323850705.db2.gz NKITVGQOVFPCQS-IBGZPJMESA-N 2 2 330.476 2.220 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676893 1324617348 /nfs/dbraw/zinc/61/73/48/1324617348.db2.gz RKLLZXHZZDJUTL-CRAIPNDOSA-N 2 2 349.906 2.350 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676893 1324617356 /nfs/dbraw/zinc/61/73/56/1324617356.db2.gz RKLLZXHZZDJUTL-CRAIPNDOSA-N 2 2 349.906 2.350 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676893 1324617364 /nfs/dbraw/zinc/61/73/64/1324617364.db2.gz RKLLZXHZZDJUTL-CRAIPNDOSA-N 2 2 349.906 2.350 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676893 1324617372 /nfs/dbraw/zinc/61/73/72/1324617372.db2.gz RKLLZXHZZDJUTL-CRAIPNDOSA-N 2 2 349.906 2.350 20 30 EEEDLP C#CCCC[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209268002 1324877594 /nfs/dbraw/zinc/87/75/94/1324877594.db2.gz PFRGKMCFYJTGQE-INIZCTEOSA-N 2 2 335.492 2.463 20 30 EEEDLP C#CCCC[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001209268002 1324877601 /nfs/dbraw/zinc/87/76/01/1324877601.db2.gz PFRGKMCFYJTGQE-INIZCTEOSA-N 2 2 335.492 2.463 20 30 EEEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001320052258 1332816377 /nfs/dbraw/zinc/81/63/77/1332816377.db2.gz KCFBSEFVBRMMJX-KRWDZBQOSA-N 2 2 328.460 2.467 20 30 EEEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001320052258 1332816379 /nfs/dbraw/zinc/81/63/79/1332816379.db2.gz KCFBSEFVBRMMJX-KRWDZBQOSA-N 2 2 328.460 2.467 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001506618989 1342285455 /nfs/dbraw/zinc/28/54/55/1342285455.db2.gz HPEGHBLIXQBAGS-CQSZACIVSA-N 2 2 327.900 2.440 20 30 EEEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc(OCC#N)c1 ZINC001647230107 1353199495 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NEULXOANFKAISE-INIZCTEOSA-N 2 2 349.906 2.350 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001425245756 1401527625 /nfs/dbraw/zinc/52/76/25/1401527625.db2.gz NEULXOANFKAISE-INIZCTEOSA-N 2 2 349.906 2.350 20 30 EEEDLP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001755442359 1407455131 /nfs/dbraw/zinc/45/51/31/1407455131.db2.gz QPLNAUGEKPRLNA-NVXWUHKLSA-N 2 2 342.443 2.038 20 30 EEEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755563770 1407635125 /nfs/dbraw/zinc/63/51/25/1407635125.db2.gz NYIOAQPEWYRCFH-IBGZPJMESA-N 2 2 336.439 2.336 20 30 EEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024443780 761382337 /nfs/dbraw/zinc/38/23/37/761382337.db2.gz PHHISILNJIENJY-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695034 774444024 /nfs/dbraw/zinc/44/40/24/774444024.db2.gz AOSHUIHAFZZYHW-ARFHVFGLSA-N 2 2 330.476 2.316 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695034 774444025 /nfs/dbraw/zinc/44/40/25/774444025.db2.gz AOSHUIHAFZZYHW-ARFHVFGLSA-N 2 2 330.476 2.316 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089805067 775934630 /nfs/dbraw/zinc/93/46/30/775934630.db2.gz ZNQPZOQYALHUMQ-MHORFTMASA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089805067 775934643 /nfs/dbraw/zinc/93/46/43/775934643.db2.gz ZNQPZOQYALHUMQ-MHORFTMASA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089844807 777846694 /nfs/dbraw/zinc/84/66/94/777846694.db2.gz DQIOHZBAQZMGCG-NXOAAHMSSA-N 2 2 348.878 2.195 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089844807 777846708 /nfs/dbraw/zinc/84/67/08/777846708.db2.gz DQIOHZBAQZMGCG-NXOAAHMSSA-N 2 2 348.878 2.195 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707385 779203963 /nfs/dbraw/zinc/20/39/63/779203963.db2.gz QBDXVUKCMVJZFK-RBUKOAKNSA-N 2 2 338.455 2.123 20 30 EEEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035201237 784041809 /nfs/dbraw/zinc/04/18/09/784041809.db2.gz SUUBCHXDDUUQRV-UHFFFAOYSA-N 2 2 342.487 2.264 20 30 EEEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035201237 784041819 /nfs/dbraw/zinc/04/18/19/784041819.db2.gz SUUBCHXDDUUQRV-UHFFFAOYSA-N 2 2 342.487 2.264 20 30 EEEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709457 784992953 /nfs/dbraw/zinc/99/29/53/784992953.db2.gz WRMUPYLDQUETEZ-KRWDZBQOSA-N 2 2 342.487 2.344 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035728571 785030783 /nfs/dbraw/zinc/03/07/83/785030783.db2.gz LVPLMGNJAVGRQZ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 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NLBBGDWPMGEJGR-RDTXWAMCSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991450722 788821955 /nfs/dbraw/zinc/82/19/55/788821955.db2.gz YCQHCZZLKQZIDT-FRQCXROJSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991450722 788821965 /nfs/dbraw/zinc/82/19/65/788821965.db2.gz YCQHCZZLKQZIDT-FRQCXROJSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991477190 789034225 /nfs/dbraw/zinc/03/42/25/789034225.db2.gz XGFPAYCMHKKSAH-VDZJLULYSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991477190 789034232 /nfs/dbraw/zinc/03/42/32/789034232.db2.gz XGFPAYCMHKKSAH-VDZJLULYSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001147780680 791952562 /nfs/dbraw/zinc/95/25/62/791952562.db2.gz OZAMLZRRNGNNPE-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001147780680 791952566 /nfs/dbraw/zinc/95/25/66/791952566.db2.gz OZAMLZRRNGNNPE-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110016265 806392953 /nfs/dbraw/zinc/39/29/53/806392953.db2.gz GKQPHWUJMVOYAZ-QYZOEREBSA-N 2 2 340.471 2.122 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110016265 806392965 /nfs/dbraw/zinc/39/29/65/806392965.db2.gz GKQPHWUJMVOYAZ-QYZOEREBSA-N 2 2 340.471 2.122 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110016265 806392974 /nfs/dbraw/zinc/39/29/74/806392974.db2.gz GKQPHWUJMVOYAZ-QYZOEREBSA-N 2 2 340.471 2.122 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110016265 806392981 /nfs/dbraw/zinc/39/29/81/806392981.db2.gz GKQPHWUJMVOYAZ-QYZOEREBSA-N 2 2 340.471 2.122 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001079878161 795311706 /nfs/dbraw/zinc/31/17/06/795311706.db2.gz JJKGOSIMEWYYFW-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001079878161 795311714 /nfs/dbraw/zinc/31/17/14/795311714.db2.gz JJKGOSIMEWYYFW-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079878161 795311724 /nfs/dbraw/zinc/31/17/24/795311724.db2.gz JJKGOSIMEWYYFW-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079878161 795311730 /nfs/dbraw/zinc/31/17/30/795311730.db2.gz JJKGOSIMEWYYFW-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078657169 796777751 /nfs/dbraw/zinc/77/77/51/796777751.db2.gz QFOAFKHZWIPKRD-SJORKVTESA-N 2 2 329.444 2.226 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820340 797026708 /nfs/dbraw/zinc/02/67/08/797026708.db2.gz WOMJPXQECFDSTI-SJORKVTESA-N 2 2 345.512 2.309 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820340 797026715 /nfs/dbraw/zinc/02/67/15/797026715.db2.gz WOMJPXQECFDSTI-SJORKVTESA-N 2 2 345.512 2.309 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001176829347 798589306 /nfs/dbraw/zinc/58/93/06/798589306.db2.gz LKNVRVCQGQYCAB-MRXNPFEDSA-N 2 2 339.443 2.220 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178879708 799670220 /nfs/dbraw/zinc/67/02/20/799670220.db2.gz FIPWNDSXSIWFFZ-MRXNPFEDSA-N 2 2 330.476 2.113 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178879708 799670224 /nfs/dbraw/zinc/67/02/24/799670224.db2.gz FIPWNDSXSIWFFZ-MRXNPFEDSA-N 2 2 330.476 2.113 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541887 802335266 /nfs/dbraw/zinc/33/52/66/802335266.db2.gz LNYKYGQEPNCDMR-AEFFLSMTSA-N 2 2 340.471 2.166 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541887 802335275 /nfs/dbraw/zinc/33/52/75/802335275.db2.gz LNYKYGQEPNCDMR-AEFFLSMTSA-N 2 2 340.471 2.166 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004585808 802425726 /nfs/dbraw/zinc/42/57/26/802425726.db2.gz LMRAMOQVXLXEGZ-OAHLLOKOSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004585808 802425731 /nfs/dbraw/zinc/42/57/31/802425731.db2.gz LMRAMOQVXLXEGZ-OAHLLOKOSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645819 802558546 /nfs/dbraw/zinc/55/85/46/802558546.db2.gz ZDINLKDRQNMTLI-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645819 802558550 /nfs/dbraw/zinc/55/85/50/802558550.db2.gz ZDINLKDRQNMTLI-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182204 802992560 /nfs/dbraw/zinc/99/25/60/802992560.db2.gz MYKZBGHVSJEAHW-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182204 802992563 /nfs/dbraw/zinc/99/25/63/802992563.db2.gz MYKZBGHVSJEAHW-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422609 803537053 /nfs/dbraw/zinc/53/70/53/803537053.db2.gz XLYYOSRBVYDCKF-AZUAARDMSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422609 803537055 /nfs/dbraw/zinc/53/70/55/803537055.db2.gz XLYYOSRBVYDCKF-AZUAARDMSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529460 809149911 /nfs/dbraw/zinc/14/99/11/809149911.db2.gz RFGVZOZMXIDBIN-LJQANCHMSA-N 2 2 345.487 2.026 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529460 809149914 /nfs/dbraw/zinc/14/99/14/809149914.db2.gz RFGVZOZMXIDBIN-LJQANCHMSA-N 2 2 345.487 2.026 20 30 EEEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528482 243124559 /nfs/dbraw/zinc/12/45/59/243124559.db2.gz QPWIXMKAFCGCTN-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528482 243124562 /nfs/dbraw/zinc/12/45/62/243124562.db2.gz QPWIXMKAFCGCTN-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528482 243124565 /nfs/dbraw/zinc/12/45/65/243124565.db2.gz QPWIXMKAFCGCTN-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528482 243124568 /nfs/dbraw/zinc/12/45/68/243124568.db2.gz QPWIXMKAFCGCTN-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000267591946 256070774 /nfs/dbraw/zinc/07/07/74/256070774.db2.gz JHIRUSCFVFWHMF-CQSZACIVSA-N 2 2 341.440 2.328 20 30 EEEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842904 221194588 /nfs/dbraw/zinc/19/45/88/221194588.db2.gz GLCYFKSDHQCOPY-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842904 221194590 /nfs/dbraw/zinc/19/45/90/221194590.db2.gz GLCYFKSDHQCOPY-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842904 221194594 /nfs/dbraw/zinc/19/45/94/221194594.db2.gz GLCYFKSDHQCOPY-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842904 221194596 /nfs/dbraw/zinc/19/45/96/221194596.db2.gz GLCYFKSDHQCOPY-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP C#C[C@@H](CCC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491566424 533242956 /nfs/dbraw/zinc/24/29/56/533242956.db2.gz GEUJJOJWNKZSCY-KRWDZBQOSA-N 2 2 334.508 2.038 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346514490 161378557 /nfs/dbraw/zinc/37/85/57/161378557.db2.gz VEELVFMALQKKHX-RDTXWAMCSA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346514490 161378558 /nfs/dbraw/zinc/37/85/58/161378558.db2.gz VEELVFMALQKKHX-RDTXWAMCSA-N 2 2 336.395 2.434 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000577121387 320233772 /nfs/dbraw/zinc/23/37/72/320233772.db2.gz LONBHIYLZAMUFL-AEFFLSMTSA-N 2 2 349.438 2.277 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000577121387 320233774 /nfs/dbraw/zinc/23/37/74/320233774.db2.gz LONBHIYLZAMUFL-AEFFLSMTSA-N 2 2 349.438 2.277 20 30 EEEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328784010 465128632 /nfs/dbraw/zinc/12/86/32/465128632.db2.gz GQSIHDHPZZBRFZ-CRAIPNDOSA-N 2 2 347.507 2.405 20 30 EEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797490 465131913 /nfs/dbraw/zinc/13/19/13/465131913.db2.gz VUMJWBNKKVQBHV-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797490 465131915 /nfs/dbraw/zinc/13/19/15/465131915.db2.gz VUMJWBNKKVQBHV-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797490 465131919 /nfs/dbraw/zinc/13/19/19/465131919.db2.gz VUMJWBNKKVQBHV-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797490 465131922 /nfs/dbraw/zinc/13/19/22/465131922.db2.gz VUMJWBNKKVQBHV-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000521442716 468314668 /nfs/dbraw/zinc/31/46/68/468314668.db2.gz ONHVCRYHIJEOHF-IBGZPJMESA-N 2 2 328.460 2.246 20 30 EEEDLP COCCNC(=[NH2+])NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000066243014 462865971 /nfs/dbraw/zinc/86/59/71/462865971.db2.gz GHLLIAGWJHEFMX-CQSZACIVSA-N 2 2 342.846 2.167 20 30 EEEDLP C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000491325649 468350950 /nfs/dbraw/zinc/35/09/50/468350950.db2.gz FNIQZPLUZMPGEP-OAHLLOKOSA-N 2 2 331.485 2.127 20 30 EEEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000491325649 468350954 /nfs/dbraw/zinc/35/09/54/468350954.db2.gz FNIQZPLUZMPGEP-OAHLLOKOSA-N 2 2 331.485 2.127 20 30 EEEDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268369715 463720163 /nfs/dbraw/zinc/72/01/63/463720163.db2.gz HMAZILJTRSLRFN-HHXXYDBFSA-N 2 2 340.427 2.078 20 30 EEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268369715 463720165 /nfs/dbraw/zinc/72/01/65/463720165.db2.gz HMAZILJTRSLRFN-HHXXYDBFSA-N 2 2 340.427 2.078 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]Cc2c(Br)c(C)nn2C)CC1 ZINC000279128172 464041583 /nfs/dbraw/zinc/04/15/83/464041583.db2.gz MKPGRQFPWYATIU-UHFFFAOYSA-N 2 2 327.270 2.231 20 30 EEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000579675388 468391660 /nfs/dbraw/zinc/39/16/60/468391660.db2.gz KJCFEBMQXHCRGD-FCEWJHQRSA-N 2 2 329.444 2.337 20 30 EEEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000264100373 464284286 /nfs/dbraw/zinc/28/42/86/464284286.db2.gz MSOLKUVMXURDRO-SFHVURJKSA-N 2 2 331.508 2.248 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285614 464566729 /nfs/dbraw/zinc/56/67/29/464566729.db2.gz AKYARZXITZQGCO-SJORKVTESA-N 2 2 328.460 2.205 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285614 464566734 /nfs/dbraw/zinc/56/67/34/464566734.db2.gz AKYARZXITZQGCO-SJORKVTESA-N 2 2 328.460 2.205 20 30 EEEDLP N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000348330751 465554387 /nfs/dbraw/zinc/55/43/87/465554387.db2.gz PRKAXAPXLFFNII-QGZVFWFLSA-N 2 2 329.835 2.419 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353504506 465939255 /nfs/dbraw/zinc/93/92/55/465939255.db2.gz RGNIINVRYMDCCG-HNNXBMFYSA-N 2 2 341.455 2.301 20 30 EEEDLP N#CCCCOc1cccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000353921437 466258782 /nfs/dbraw/zinc/25/87/82/466258782.db2.gz HBPBIADWSBKNDM-UHFFFAOYSA-N 2 2 339.443 2.410 20 30 EEEDLP C=CCn1cccc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028135 466665663 /nfs/dbraw/zinc/66/56/63/466665663.db2.gz XHKAVXXYJJGWLF-UHFFFAOYSA-N 2 2 344.503 2.306 20 30 EEEDLP C=CCn1cccc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028135 466665667 /nfs/dbraw/zinc/66/56/67/466665667.db2.gz XHKAVXXYJJGWLF-UHFFFAOYSA-N 2 2 344.503 2.306 20 30 EEEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424059793 466967324 /nfs/dbraw/zinc/96/73/24/466967324.db2.gz GPDAUPLMLOCOCA-CABCVRRESA-N 2 2 345.834 2.300 20 30 EEEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566120723 468144045 /nfs/dbraw/zinc/14/40/45/468144045.db2.gz PHUDZIKYFNDTRK-BWPNAZKDSA-N 2 2 332.488 2.234 20 30 EEEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566120723 468144048 /nfs/dbraw/zinc/14/40/48/468144048.db2.gz PHUDZIKYFNDTRK-BWPNAZKDSA-N 2 2 332.488 2.234 20 30 EEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000598699641 468962694 /nfs/dbraw/zinc/96/26/94/468962694.db2.gz HDOGTUUBKZUKOK-OAHLLOKOSA-N 2 2 325.522 2.238 20 30 EEEDLP C[C@H](CCC#N)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000602525541 469349846 /nfs/dbraw/zinc/34/98/46/469349846.db2.gz ACZZAMWWOVIZDA-QGZVFWFLSA-N 2 2 331.460 2.427 20 30 EEEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000738335977 578010042 /nfs/dbraw/zinc/01/00/42/578010042.db2.gz XBDYTPSQSPAYCA-AEFFLSMTSA-N 2 2 328.460 2.001 20 30 EEEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000738335977 578010043 /nfs/dbraw/zinc/01/00/43/578010043.db2.gz XBDYTPSQSPAYCA-AEFFLSMTSA-N 2 2 328.460 2.001 20 30 EEEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCC#N)CC[NH+]1Cc1ccccc1 ZINC000738335977 578010044 /nfs/dbraw/zinc/01/00/44/578010044.db2.gz XBDYTPSQSPAYCA-AEFFLSMTSA-N 2 2 328.460 2.001 20 30 EEEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCC#N)CC[NH+]1Cc1ccccc1 ZINC000738335977 578010045 /nfs/dbraw/zinc/01/00/45/578010045.db2.gz XBDYTPSQSPAYCA-AEFFLSMTSA-N 2 2 328.460 2.001 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cccc(Cl)c3)cn2)CC1 ZINC000755471000 577261069 /nfs/dbraw/zinc/26/10/69/577261069.db2.gz ALLKXNPPZRKZPM-UHFFFAOYSA-N 2 2 330.823 2.328 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)CC1 ZINC000775434941 577437277 /nfs/dbraw/zinc/43/72/77/577437277.db2.gz QYVLGYFDMQBWFN-LJQANCHMSA-N 2 2 347.890 2.404 20 30 EEEDLP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000759196949 577638869 /nfs/dbraw/zinc/63/88/69/577638869.db2.gz PEHUSWHDNCBOJV-UHFFFAOYSA-N 2 2 339.484 2.032 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428331 676711391 /nfs/dbraw/zinc/71/13/91/676711391.db2.gz HVOLQLKOKCBWPN-CVEARBPZSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428331 676711394 /nfs/dbraw/zinc/71/13/94/676711394.db2.gz HVOLQLKOKCBWPN-CVEARBPZSA-N 2 2 325.884 2.146 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001023380654 679280205 /nfs/dbraw/zinc/28/02/05/679280205.db2.gz DVKKSIAOIZAQEK-YJBOKZPZSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001023380654 679280206 /nfs/dbraw/zinc/28/02/06/679280206.db2.gz DVKKSIAOIZAQEK-YJBOKZPZSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380654 679280207 /nfs/dbraw/zinc/28/02/07/679280207.db2.gz DVKKSIAOIZAQEK-YJBOKZPZSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380654 679280209 /nfs/dbraw/zinc/28/02/09/679280209.db2.gz DVKKSIAOIZAQEK-YJBOKZPZSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414560 679298025 /nfs/dbraw/zinc/29/80/25/679298025.db2.gz WDADNOMIENMEHW-LSDHHAIUSA-N 2 2 336.867 2.341 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414560 679298026 /nfs/dbraw/zinc/29/80/26/679298026.db2.gz WDADNOMIENMEHW-LSDHHAIUSA-N 2 2 336.867 2.341 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539226 681875655 /nfs/dbraw/zinc/87/56/55/681875655.db2.gz QYUYGENZGLCTTB-AWEZNQCLSA-N 2 2 332.835 2.447 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539226 681875660 /nfs/dbraw/zinc/87/56/60/681875660.db2.gz QYUYGENZGLCTTB-AWEZNQCLSA-N 2 2 332.835 2.447 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001025595587 683066578 /nfs/dbraw/zinc/06/65/78/683066578.db2.gz PPQKGHUNTXNBHS-HZPDHXFCSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001025595587 683066581 /nfs/dbraw/zinc/06/65/81/683066581.db2.gz PPQKGHUNTXNBHS-HZPDHXFCSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867402 685642968 /nfs/dbraw/zinc/64/29/68/685642968.db2.gz FLXVATDKVGJQSS-HOTGVXAUSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867402 685642970 /nfs/dbraw/zinc/64/29/70/685642970.db2.gz FLXVATDKVGJQSS-HOTGVXAUSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]12 ZINC001026293492 684210021 /nfs/dbraw/zinc/21/00/21/684210021.db2.gz FPKWODZDMMFWNV-DJIMGWMZSA-N 2 2 329.444 2.035 20 30 EEEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])NCCc2ccccc2)C[C@@H](C)O1 ZINC000303775395 686900085 /nfs/dbraw/zinc/90/00/85/686900085.db2.gz GUYVBVIRDOXBNX-HZPDHXFCSA-N 2 2 332.492 2.021 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000987308726 689618366 /nfs/dbraw/zinc/61/83/66/689618366.db2.gz DVGJSYXNHYYVJR-GOEBONIOSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089891825 1193044338 /nfs/dbraw/zinc/04/43/38/1193044338.db2.gz AQRXLIWVJNGMBB-ZMMAXQRCSA-N 2 2 342.487 2.396 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089891825 1193044340 /nfs/dbraw/zinc/04/43/40/1193044340.db2.gz AQRXLIWVJNGMBB-ZMMAXQRCSA-N 2 2 342.487 2.396 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@H]1C ZINC001481959974 1183041004 /nfs/dbraw/zinc/04/10/04/1183041004.db2.gz DYVSPRYDNZIVDV-DYVFJYSZSA-N 2 2 338.883 2.370 20 30 EEEDLP C=C(Br)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702544113 1196008673 /nfs/dbraw/zinc/00/86/73/1196008673.db2.gz HXKWYCCUQRKTCE-HNNXBMFYSA-N 2 2 325.250 2.122 20 30 EEEDLP C=C(Br)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702544113 1196008678 /nfs/dbraw/zinc/00/86/78/1196008678.db2.gz HXKWYCCUQRKTCE-HNNXBMFYSA-N 2 2 325.250 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088666626 1188072656 /nfs/dbraw/zinc/07/26/56/1188072656.db2.gz MILIMXYBYSCUKL-AYOQOUSVSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088666626 1188072657 /nfs/dbraw/zinc/07/26/57/1188072657.db2.gz MILIMXYBYSCUKL-AYOQOUSVSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088666626 1188072663 /nfs/dbraw/zinc/07/26/63/1188072663.db2.gz MILIMXYBYSCUKL-AYOQOUSVSA-N 2 2 340.471 2.122 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)CCC1 ZINC001105577767 1188191812 /nfs/dbraw/zinc/19/18/12/1188191812.db2.gz ZSELWDWAFNSKSN-GOSISDBHSA-N 2 2 342.487 2.127 20 30 EEEDLP CCCCCCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001272478240 1190843935 /nfs/dbraw/zinc/84/39/35/1190843935.db2.gz GVKZAMHMRZVYRJ-ZWKOTPCHSA-N 2 2 345.478 2.483 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034250128 1195984127 /nfs/dbraw/zinc/98/41/27/1195984127.db2.gz PJABDLHSKDOARG-UXHICEINSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034250128 1195984130 /nfs/dbraw/zinc/98/41/30/1195984130.db2.gz PJABDLHSKDOARG-UXHICEINSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034250128 1195984133 /nfs/dbraw/zinc/98/41/33/1195984133.db2.gz PJABDLHSKDOARG-UXHICEINSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034250128 1195984136 /nfs/dbraw/zinc/98/41/36/1195984136.db2.gz PJABDLHSKDOARG-UXHICEINSA-N 2 2 339.483 2.255 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234708 1199414100 /nfs/dbraw/zinc/41/41/00/1199414100.db2.gz JEFZSVONPBDMBQ-IAGOWNOFSA-N 2 2 338.455 2.267 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544968 1199646323 /nfs/dbraw/zinc/64/63/23/1199646323.db2.gz KLPACXGYTJHXKW-STQMWFEESA-N 2 2 345.472 2.349 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544968 1199646325 /nfs/dbraw/zinc/64/63/25/1199646325.db2.gz KLPACXGYTJHXKW-STQMWFEESA-N 2 2 345.472 2.349 20 30 EEEDLP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCn1cc[nH+]c1 ZINC001133401890 1200857376 /nfs/dbraw/zinc/85/73/76/1200857376.db2.gz SNERLJCBGOTSAH-UHFFFAOYSA-N 2 2 344.846 2.178 20 30 EEEDLP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001275968850 1205608097 /nfs/dbraw/zinc/60/80/97/1205608097.db2.gz PWDILDWKENKWLV-UHFFFAOYSA-N 2 2 326.488 2.408 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000948923403 1209455089 /nfs/dbraw/zinc/45/50/89/1209455089.db2.gz IJMLWTZZPVNIMF-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000948923403 1209455090 /nfs/dbraw/zinc/45/50/90/1209455090.db2.gz IJMLWTZZPVNIMF-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000948923403 1209455092 /nfs/dbraw/zinc/45/50/92/1209455092.db2.gz IJMLWTZZPVNIMF-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000948923403 1209455093 /nfs/dbraw/zinc/45/50/93/1209455093.db2.gz IJMLWTZZPVNIMF-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586316 1215231123 /nfs/dbraw/zinc/23/11/23/1215231123.db2.gz GVJKPPPGRCOJPW-UHFFFAOYSA-N 2 2 328.460 2.001 20 30 EEEDLP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)CC1 ZINC000957603773 1215248915 /nfs/dbraw/zinc/24/89/15/1215248915.db2.gz YIKLTFKQFJFAJI-MRXNPFEDSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000960329045 1216497720 /nfs/dbraw/zinc/49/77/20/1216497720.db2.gz IDONLZFZIKEXCK-SJLPKXTDSA-N 2 2 344.846 2.316 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961416703 1217181823 /nfs/dbraw/zinc/18/18/23/1217181823.db2.gz VCJDEJZPQVCQHW-QGZVFWFLSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961416703 1217181824 /nfs/dbraw/zinc/18/18/24/1217181824.db2.gz VCJDEJZPQVCQHW-QGZVFWFLSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001019599831 1229206408 /nfs/dbraw/zinc/20/64/08/1229206408.db2.gz QWQTVRHCHGRXDU-HNNXBMFYSA-N 2 2 330.819 2.429 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038258094 1229707881 /nfs/dbraw/zinc/70/78/81/1229707881.db2.gz CYUJHZOTTPNLHT-OALUTQOASA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038258094 1229707883 /nfs/dbraw/zinc/70/78/83/1229707883.db2.gz 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/nfs/dbraw/zinc/22/84/10/1303228410.db2.gz XJEKFKQTZBNIGM-UKRRQHHQSA-N 2 2 338.883 2.179 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688118 1303229113 /nfs/dbraw/zinc/22/91/13/1303229113.db2.gz KTYAVTNHHQXGRS-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688118 1303229121 /nfs/dbraw/zinc/22/91/21/1303229121.db2.gz KTYAVTNHHQXGRS-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001114970252 1304573461 /nfs/dbraw/zinc/57/34/61/1304573461.db2.gz MCVUPYJCFBTLBM-DZFIZOCASA-N 2 2 338.455 2.198 20 30 EEEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001114970252 1304573462 /nfs/dbraw/zinc/57/34/62/1304573462.db2.gz MCVUPYJCFBTLBM-DZFIZOCASA-N 2 2 338.455 2.198 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)CCCCC1 ZINC001120213562 1309387261 /nfs/dbraw/zinc/38/72/61/1309387261.db2.gz JZYFZPGTIGOYJO-KRWDZBQOSA-N 2 2 330.476 2.279 20 30 EEEDLP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380020 1316249146 /nfs/dbraw/zinc/24/91/46/1316249146.db2.gz OAEUSRHQQVVLGR-QGZVFWFLSA-N 2 2 336.480 2.130 20 30 EEEDLP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380020 1316249149 /nfs/dbraw/zinc/24/91/49/1316249149.db2.gz OAEUSRHQQVVLGR-QGZVFWFLSA-N 2 2 336.480 2.130 20 30 EEEDLP CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386410 1316664384 /nfs/dbraw/zinc/66/43/84/1316664384.db2.gz HSMIGEQEIMZRQE-KDOFPFPSSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386410 1316664387 /nfs/dbraw/zinc/66/43/87/1316664387.db2.gz HSMIGEQEIMZRQE-KDOFPFPSSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[NH+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386410 1316664388 /nfs/dbraw/zinc/66/43/88/1316664388.db2.gz HSMIGEQEIMZRQE-KDOFPFPSSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[NH+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386410 1316664390 /nfs/dbraw/zinc/66/43/90/1316664390.db2.gz HSMIGEQEIMZRQE-KDOFPFPSSA-N 2 2 346.450 2.118 20 30 EEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153487 1318440793 /nfs/dbraw/zinc/44/07/93/1318440793.db2.gz KTDFTSWAQBKHNU-AEFFLSMTSA-N 2 2 332.492 2.477 20 30 EEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153487 1318440803 /nfs/dbraw/zinc/44/08/03/1318440803.db2.gz KTDFTSWAQBKHNU-AEFFLSMTSA-N 2 2 332.492 2.477 20 30 EEEDLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001366662879 1373994838 /nfs/dbraw/zinc/99/48/38/1373994838.db2.gz FBULQMQQTRWJNG-WMZOPIPTSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001366662879 1373994840 /nfs/dbraw/zinc/99/48/40/1373994840.db2.gz FBULQMQQTRWJNG-WMZOPIPTSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001376067409 1378275150 /nfs/dbraw/zinc/27/51/50/1378275150.db2.gz FBTGCXWCQBBJFD-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001376067409 1378275155 /nfs/dbraw/zinc/27/51/55/1378275155.db2.gz FBTGCXWCQBBJFD-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001376067409 1378275159 /nfs/dbraw/zinc/27/51/59/1378275159.db2.gz FBTGCXWCQBBJFD-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001376067409 1378275170 /nfs/dbraw/zinc/27/51/70/1378275170.db2.gz FBTGCXWCQBBJFD-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001377965299 1379602376 /nfs/dbraw/zinc/60/23/76/1379602376.db2.gz LBKZRCAYDZQRPY-UHFFFAOYSA-N 2 2 339.443 2.098 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001378198397 1379778227 /nfs/dbraw/zinc/77/82/27/1379778227.db2.gz ZOXFSXSDSDFHGU-ZIAGYGMSSA-N 2 2 346.313 2.014 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001378198397 1379778231 /nfs/dbraw/zinc/77/82/31/1379778231.db2.gz ZOXFSXSDSDFHGU-ZIAGYGMSSA-N 2 2 346.313 2.014 20 30 EEEDLP C#CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001752805250 1406424474 /nfs/dbraw/zinc/42/44/74/1406424474.db2.gz NPCVROKFWGTGTG-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CCC1 ZINC001398234085 1391956619 /nfs/dbraw/zinc/95/66/19/1391956619.db2.gz OGWIPFJMPKTBTL-AWEZNQCLSA-N 2 2 346.500 2.185 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001753332790 1406730243 /nfs/dbraw/zinc/73/02/43/1406730243.db2.gz VCQDTGCKTMLBID-INIZCTEOSA-N 2 2 330.476 2.166 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001753332790 1406730250 /nfs/dbraw/zinc/73/02/50/1406730250.db2.gz VCQDTGCKTMLBID-INIZCTEOSA-N 2 2 330.476 2.166 20 30 EEEDLP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001422464892 1399935373 /nfs/dbraw/zinc/93/53/73/1399935373.db2.gz GNVOYSGTMWLZBI-UHFFFAOYSA-N 2 2 339.443 2.098 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104314296 759355819 /nfs/dbraw/zinc/35/58/19/759355819.db2.gz OAEVJCKRUJWLGV-NMFUWQPSSA-N 2 2 336.867 2.340 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420531 768952656 /nfs/dbraw/zinc/95/26/56/768952656.db2.gz NNUOBTMOYJFVSU-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420531 768952660 /nfs/dbraw/zinc/95/26/60/768952660.db2.gz NNUOBTMOYJFVSU-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089487686 769773390 /nfs/dbraw/zinc/77/33/90/769773390.db2.gz MOMWATWGJGHZCX-HUUCEWRRSA-N 2 2 328.460 2.070 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089487686 769773400 /nfs/dbraw/zinc/77/34/00/769773400.db2.gz MOMWATWGJGHZCX-HUUCEWRRSA-N 2 2 328.460 2.070 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089659315 774033489 /nfs/dbraw/zinc/03/34/89/774033489.db2.gz XHYCWQHUZLMDRW-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089659315 774033493 /nfs/dbraw/zinc/03/34/93/774033493.db2.gz XHYCWQHUZLMDRW-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001089802383 775829436 /nfs/dbraw/zinc/82/94/36/775829436.db2.gz FJVWNVQSZSQRNI-VGWMRTNUSA-N 2 2 348.878 2.264 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000981408116 777333941 /nfs/dbraw/zinc/33/39/41/777333941.db2.gz AKBPMVWLTHKOCE-DLBZAZTESA-N 2 2 337.427 2.041 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135576080 784024750 /nfs/dbraw/zinc/02/47/50/784024750.db2.gz QHDATARZFMRUDD-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035201338 784043149 /nfs/dbraw/zinc/04/31/49/784043149.db2.gz HPAUSXAYHXLECA-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035201338 784043161 /nfs/dbraw/zinc/04/31/61/784043161.db2.gz HPAUSXAYHXLECA-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680542 784224925 /nfs/dbraw/zinc/22/49/25/784224925.db2.gz XDTWBOLZNZWCCA-CVEARBPZSA-N 2 2 326.444 2.081 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135773941 784400831 /nfs/dbraw/zinc/40/08/31/784400831.db2.gz CSBWKDFLWGAOGY-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775008 784403368 /nfs/dbraw/zinc/40/33/68/784403368.db2.gz RVWKYDTVNAYULD-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001035759082 785070539 /nfs/dbraw/zinc/07/05/39/785070539.db2.gz QITULFRDCLKRPL-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035839393 785265344 /nfs/dbraw/zinc/26/53/44/785265344.db2.gz SIEICHOBOXTQIS-OAHLLOKOSA-N 2 2 325.884 2.005 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035839393 785265350 /nfs/dbraw/zinc/26/53/50/785265350.db2.gz SIEICHOBOXTQIS-OAHLLOKOSA-N 2 2 325.884 2.005 20 30 EEEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035858608 785301182 /nfs/dbraw/zinc/30/11/82/785301182.db2.gz WSOAPKXCAMTNRH-IBGZPJMESA-N 2 2 339.483 2.237 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)[NH+](C)C ZINC001109733632 805911517 /nfs/dbraw/zinc/91/15/17/805911517.db2.gz ZNXQQEKPMORJNJ-ZCPGHIKRSA-N 2 2 346.500 2.181 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)[NH+](C)C ZINC001109733632 805911525 /nfs/dbraw/zinc/91/15/25/805911525.db2.gz ZNXQQEKPMORJNJ-ZCPGHIKRSA-N 2 2 346.500 2.181 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991475102 789022458 /nfs/dbraw/zinc/02/24/58/789022458.db2.gz SEDDFZYVPXPUTH-GPMSIDNRSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991475102 789022468 /nfs/dbraw/zinc/02/24/68/789022468.db2.gz SEDDFZYVPXPUTH-GPMSIDNRSA-N 2 2 328.460 2.135 20 30 EEEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766710 791932279 /nfs/dbraw/zinc/93/22/79/791932279.db2.gz FSEYEKRITAONRI-KRWDZBQOSA-N 2 2 328.460 2.028 20 30 EEEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766710 791932283 /nfs/dbraw/zinc/93/22/83/791932283.db2.gz FSEYEKRITAONRI-KRWDZBQOSA-N 2 2 328.460 2.028 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934640 793073708 /nfs/dbraw/zinc/07/37/08/793073708.db2.gz WFEDPOZOCVVFPW-KRWDZBQOSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092200791 793665531 /nfs/dbraw/zinc/66/55/31/793665531.db2.gz PSWKARYQOHSVIM-BEFAXECRSA-N 2 2 330.476 2.434 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092200791 793665535 /nfs/dbraw/zinc/66/55/35/793665535.db2.gz PSWKARYQOHSVIM-BEFAXECRSA-N 2 2 330.476 2.434 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296202 793812068 /nfs/dbraw/zinc/81/20/68/793812068.db2.gz GIUKKJHUHPDEGJ-APWZRJJASA-N 2 2 345.512 2.073 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296202 793812075 /nfs/dbraw/zinc/81/20/75/793812075.db2.gz GIUKKJHUHPDEGJ-APWZRJJASA-N 2 2 345.512 2.073 20 30 EEEDLP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296202 793812086 /nfs/dbraw/zinc/81/20/86/793812086.db2.gz GIUKKJHUHPDEGJ-APWZRJJASA-N 2 2 345.512 2.073 20 30 EEEDLP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@]2(C)C1 ZINC001092296202 793812096 /nfs/dbraw/zinc/81/20/96/793812096.db2.gz GIUKKJHUHPDEGJ-APWZRJJASA-N 2 2 345.512 2.073 20 30 EEEDLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC000992533561 794535550 /nfs/dbraw/zinc/53/55/50/794535550.db2.gz NZGUXXRQPHJBHF-FPOVZHCZSA-N 2 2 348.450 2.048 20 30 EEEDLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC000992533561 794535555 /nfs/dbraw/zinc/53/55/55/794535555.db2.gz NZGUXXRQPHJBHF-FPOVZHCZSA-N 2 2 348.450 2.048 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999534019 794603987 /nfs/dbraw/zinc/60/39/87/794603987.db2.gz CAZKFQAIZXJLKN-KBPBESRZSA-N 2 2 336.867 2.156 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999534019 794603991 /nfs/dbraw/zinc/60/39/91/794603991.db2.gz CAZKFQAIZXJLKN-KBPBESRZSA-N 2 2 336.867 2.156 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993339058 796426463 /nfs/dbraw/zinc/42/64/63/796426463.db2.gz QVFGDNRAHIKZIQ-RDJZCZTQSA-N 2 2 330.476 2.307 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761882 796986076 /nfs/dbraw/zinc/98/60/76/796986076.db2.gz RUGNFNIFBPAWJI-SJORKVTESA-N 2 2 349.438 2.041 20 30 EEEDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990762 797180869 /nfs/dbraw/zinc/18/08/69/797180869.db2.gz ROHYWDBHJPKDJE-HOTGVXAUSA-N 2 2 347.463 2.497 20 30 EEEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990762 797180874 /nfs/dbraw/zinc/18/08/74/797180874.db2.gz ROHYWDBHJPKDJE-HOTGVXAUSA-N 2 2 347.463 2.497 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001095032109 797254669 /nfs/dbraw/zinc/25/46/69/797254669.db2.gz LUKBIYPYBYYXHM-ZOBUZTSGSA-N 2 2 337.427 2.036 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590516 806729623 /nfs/dbraw/zinc/72/96/23/806729623.db2.gz YVJTUDKTINIQOG-HKUYNNGSSA-N 2 2 330.476 2.458 20 30 EEEDLP CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830005 801761101 /nfs/dbraw/zinc/76/11/01/801761101.db2.gz SZJSWTZSXNXTJO-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830005 801761108 /nfs/dbraw/zinc/76/11/08/801761108.db2.gz SZJSWTZSXNXTJO-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004458752 802124654 /nfs/dbraw/zinc/12/46/54/802124654.db2.gz QOHKGHBEMBGKJA-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004458752 802124662 /nfs/dbraw/zinc/12/46/62/802124662.db2.gz QOHKGHBEMBGKJA-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004458752 802124665 /nfs/dbraw/zinc/12/46/65/802124665.db2.gz QOHKGHBEMBGKJA-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004458752 802124672 /nfs/dbraw/zinc/12/46/72/802124672.db2.gz QOHKGHBEMBGKJA-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004484248 802209962 /nfs/dbraw/zinc/20/99/62/802209962.db2.gz YSKRHEZMXCMYQW-RBUKOAKNSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004484248 802209969 /nfs/dbraw/zinc/20/99/69/802209969.db2.gz YSKRHEZMXCMYQW-RBUKOAKNSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004484248 802209974 /nfs/dbraw/zinc/20/99/74/802209974.db2.gz YSKRHEZMXCMYQW-RBUKOAKNSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004484248 802209980 /nfs/dbraw/zinc/20/99/80/802209980.db2.gz YSKRHEZMXCMYQW-RBUKOAKNSA-N 2 2 346.519 2.333 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595418 802447739 /nfs/dbraw/zinc/44/77/39/802447739.db2.gz GYSLDCBRDQOAHP-GOSISDBHSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595418 802447742 /nfs/dbraw/zinc/44/77/42/802447742.db2.gz GYSLDCBRDQOAHP-GOSISDBHSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001185307224 802453024 /nfs/dbraw/zinc/45/30/24/802453024.db2.gz PGYNXJPJSSKIOW-IAGOWNOFSA-N 2 2 340.471 2.445 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001494917816 1104553773 /nfs/dbraw/zinc/55/37/73/1104553773.db2.gz OEWHKGCDMYLSJE-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001494917816 1104553787 /nfs/dbraw/zinc/55/37/87/1104553787.db2.gz OEWHKGCDMYLSJE-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001494917816 1104553793 /nfs/dbraw/zinc/55/37/93/1104553793.db2.gz OEWHKGCDMYLSJE-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001494917816 1104553803 /nfs/dbraw/zinc/55/38/03/1104553803.db2.gz OEWHKGCDMYLSJE-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001437525556 1089951077 /nfs/dbraw/zinc/95/10/77/1089951077.db2.gz LFQCQIZUVJATHC-OAHLLOKOSA-N 2 2 348.516 2.432 20 30 EEEDLP C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001437525556 1089951085 /nfs/dbraw/zinc/95/10/85/1089951085.db2.gz LFQCQIZUVJATHC-OAHLLOKOSA-N 2 2 348.516 2.432 20 30 EEEDLP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001438136570 1090660276 /nfs/dbraw/zinc/66/02/76/1090660276.db2.gz HUIIXTBWDITEJI-IBGZPJMESA-N 2 2 342.487 2.227 20 30 EEEDLP CC[C@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001438136573 1090660374 /nfs/dbraw/zinc/66/03/74/1090660374.db2.gz HUIIXTBWDITEJI-LJQANCHMSA-N 2 2 342.487 2.227 20 30 EEEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001439258804 1091910497 /nfs/dbraw/zinc/91/04/97/1091910497.db2.gz CWTDBLVDNUIEOJ-HNNXBMFYSA-N 2 2 339.443 2.173 20 30 EEEDLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328773297 539761124 /nfs/dbraw/zinc/76/11/24/539761124.db2.gz BNRUDNYREOQOIK-MRXNPFEDSA-N 2 2 327.432 2.309 20 30 EEEDLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332371030 267025781 /nfs/dbraw/zinc/02/57/81/267025781.db2.gz ZMOGIIYATCIBAC-IAGOWNOFSA-N 2 2 340.471 2.075 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000271831568 268065444 /nfs/dbraw/zinc/06/54/44/268065444.db2.gz DYVRXODUMGGDMB-HNNXBMFYSA-N 2 2 327.350 2.035 20 30 EEEDLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274613458 269040884 /nfs/dbraw/zinc/04/08/84/269040884.db2.gz PKCOOMAVTXDLRA-MRXNPFEDSA-N 2 2 342.487 2.369 20 30 EEEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1OC ZINC000274923157 269075268 /nfs/dbraw/zinc/07/52/68/269075268.db2.gz MSPDVGAKNMKBNL-ZCNNSNEGSA-N 2 2 343.471 2.305 20 30 EEEDLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000328608039 465068047 /nfs/dbraw/zinc/06/80/47/465068047.db2.gz LRLWLRAFJATHOZ-JYJNAYRXSA-N 2 2 333.480 2.479 20 30 EEEDLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000328608039 465068053 /nfs/dbraw/zinc/06/80/53/465068053.db2.gz LRLWLRAFJATHOZ-JYJNAYRXSA-N 2 2 333.480 2.479 20 30 EEEDLP C#CC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000490935259 468270932 /nfs/dbraw/zinc/27/09/32/468270932.db2.gz LXKIRHJUHCPRIZ-MJGOQNOKSA-N 2 2 348.450 2.316 20 30 EEEDLP C#CC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCc2ccccc21 ZINC000490935259 468270937 /nfs/dbraw/zinc/27/09/37/468270937.db2.gz LXKIRHJUHCPRIZ-MJGOQNOKSA-N 2 2 348.450 2.316 20 30 EEEDLP C#CC[N@@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000490935261 468271278 /nfs/dbraw/zinc/27/12/78/468271278.db2.gz LXKIRHJUHCPRIZ-PKOBYXMFSA-N 2 2 348.450 2.316 20 30 EEEDLP C#CC[N@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000490935261 468271282 /nfs/dbraw/zinc/27/12/82/468271282.db2.gz LXKIRHJUHCPRIZ-PKOBYXMFSA-N 2 2 348.450 2.316 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201186 462950492 /nfs/dbraw/zinc/95/04/92/462950492.db2.gz AIURDHADTAHDPI-UHFFFAOYSA-N 2 2 343.475 2.242 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201186 462950495 /nfs/dbraw/zinc/95/04/95/462950495.db2.gz AIURDHADTAHDPI-UHFFFAOYSA-N 2 2 343.475 2.242 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000277385929 463913771 /nfs/dbraw/zinc/91/37/71/463913771.db2.gz IQLUPXZTGDQVDT-QGZVFWFLSA-N 2 2 345.491 2.280 20 30 EEEDLP C=C(CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000287691217 463970523 /nfs/dbraw/zinc/97/05/23/463970523.db2.gz JUJOPVRJXOBHDC-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289301843 464073317 /nfs/dbraw/zinc/07/33/17/464073317.db2.gz ADGILCIDCSJKLF-OAHLLOKOSA-N 2 2 344.459 2.241 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000298644652 465458486 /nfs/dbraw/zinc/45/84/86/465458486.db2.gz ANKULBPDNSTNKV-IRXDYDNUSA-N 2 2 333.480 2.269 20 30 EEEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N(C)CCC#N ZINC000284827864 464356847 /nfs/dbraw/zinc/35/68/47/464356847.db2.gz BAFUOPWUKAPVRI-IBGZPJMESA-N 2 2 344.503 2.495 20 30 EEEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N(C)CCC#N ZINC000284827864 464356853 /nfs/dbraw/zinc/35/68/53/464356853.db2.gz BAFUOPWUKAPVRI-IBGZPJMESA-N 2 2 344.503 2.495 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)C[C@@H](C)O1 ZINC000329894972 465465552 /nfs/dbraw/zinc/46/55/52/465465552.db2.gz KIPGXEZGXVDXGX-IIDMSEBBSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)C[C@@H](C)O1 ZINC000329894972 465465558 /nfs/dbraw/zinc/46/55/58/465465558.db2.gz KIPGXEZGXVDXGX-IIDMSEBBSA-N 2 2 347.459 2.214 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180934107 464423108 /nfs/dbraw/zinc/42/31/08/464423108.db2.gz WFGAGUPFQFHYCL-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180934107 464423116 /nfs/dbraw/zinc/42/31/16/464423116.db2.gz WFGAGUPFQFHYCL-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP COc1ccc(C#N)cc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180934107 464423124 /nfs/dbraw/zinc/42/31/24/464423124.db2.gz WFGAGUPFQFHYCL-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP COc1ccc(C#N)cc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180934107 464423129 /nfs/dbraw/zinc/42/31/29/464423129.db2.gz WFGAGUPFQFHYCL-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963292 464473923 /nfs/dbraw/zinc/47/39/23/464473923.db2.gz KJEMMBDHSIBTKJ-QGZVFWFLSA-N 2 2 334.508 2.335 20 30 EEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963292 464473931 /nfs/dbraw/zinc/47/39/31/464473931.db2.gz KJEMMBDHSIBTKJ-QGZVFWFLSA-N 2 2 334.508 2.335 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963292 464473935 /nfs/dbraw/zinc/47/39/35/464473935.db2.gz KJEMMBDHSIBTKJ-QGZVFWFLSA-N 2 2 334.508 2.335 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174963292 464473942 /nfs/dbraw/zinc/47/39/42/464473942.db2.gz KJEMMBDHSIBTKJ-QGZVFWFLSA-N 2 2 334.508 2.335 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000176946526 464891052 /nfs/dbraw/zinc/89/10/52/464891052.db2.gz HNSXMOIOUNPILH-INIZCTEOSA-N 2 2 327.453 2.129 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000176946526 464891055 /nfs/dbraw/zinc/89/10/55/464891055.db2.gz HNSXMOIOUNPILH-INIZCTEOSA-N 2 2 327.453 2.129 20 30 EEEDLP CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267471138 464933211 /nfs/dbraw/zinc/93/32/11/464933211.db2.gz VXWDRUGXKOVVOI-HNNXBMFYSA-N 2 2 348.491 2.470 20 30 EEEDLP C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000330197909 465565435 /nfs/dbraw/zinc/56/54/35/465565435.db2.gz SLRJKRLATTUAMY-VKJFTORMSA-N 2 2 333.480 2.212 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000330237639 465582020 /nfs/dbraw/zinc/58/20/20/465582020.db2.gz APTIPFBPDCYRJK-HZPDHXFCSA-N 2 2 331.464 2.062 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000330246651 465585042 /nfs/dbraw/zinc/58/50/42/465585042.db2.gz FHOPJXUULQRVNA-CVEARBPZSA-N 2 2 347.459 2.199 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000330246651 465585050 /nfs/dbraw/zinc/58/50/50/465585050.db2.gz FHOPJXUULQRVNA-CVEARBPZSA-N 2 2 347.459 2.199 20 30 EEEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000346004446 465921298 /nfs/dbraw/zinc/92/12/98/465921298.db2.gz YRBIURLGQDIJGI-UHFFFAOYSA-N 2 2 334.508 2.477 20 30 EEEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000346004446 465921305 /nfs/dbraw/zinc/92/13/05/465921305.db2.gz YRBIURLGQDIJGI-UHFFFAOYSA-N 2 2 334.508 2.477 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000363031829 466184992 /nfs/dbraw/zinc/18/49/92/466184992.db2.gz TWCZATVYLRUVRE-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000363031829 466185003 /nfs/dbraw/zinc/18/50/03/466185003.db2.gz TWCZATVYLRUVRE-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000591571029 468485351 /nfs/dbraw/zinc/48/53/51/468485351.db2.gz WQXAYWILVXGQRL-HYVNUMGLSA-N 2 2 346.450 2.023 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000365667679 466902109 /nfs/dbraw/zinc/90/21/09/466902109.db2.gz RINRXCKZOWCZMF-MRXNPFEDSA-N 2 2 337.427 2.500 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000365667679 466902113 /nfs/dbraw/zinc/90/21/13/466902113.db2.gz RINRXCKZOWCZMF-MRXNPFEDSA-N 2 2 337.427 2.500 20 30 EEEDLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)C1 ZINC000424139536 466988410 /nfs/dbraw/zinc/98/84/10/466988410.db2.gz RHDAVIRXLITYNH-GXTWGEPZSA-N 2 2 335.477 2.335 20 30 EEEDLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)C1 ZINC000424139536 466988415 /nfs/dbraw/zinc/98/84/15/466988415.db2.gz RHDAVIRXLITYNH-GXTWGEPZSA-N 2 2 335.477 2.335 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038441 467197066 /nfs/dbraw/zinc/19/70/66/467197066.db2.gz NUQMHLNJWLUEFM-ZMSDIMECSA-N 2 2 333.501 2.335 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038441 467197071 /nfs/dbraw/zinc/19/70/71/467197071.db2.gz NUQMHLNJWLUEFM-ZMSDIMECSA-N 2 2 333.501 2.335 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000572099112 468884629 /nfs/dbraw/zinc/88/46/29/468884629.db2.gz MLYVXQMYDZTYAR-HNNXBMFYSA-N 2 2 343.475 2.159 20 30 EEEDLP C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199915 469238353 /nfs/dbraw/zinc/23/83/53/469238353.db2.gz BNSXCBOJNWNYKG-KRWDZBQOSA-N 2 2 343.471 2.150 20 30 EEEDLP C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199915 469238355 /nfs/dbraw/zinc/23/83/55/469238355.db2.gz BNSXCBOJNWNYKG-KRWDZBQOSA-N 2 2 343.471 2.150 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000563823384 469246576 /nfs/dbraw/zinc/24/65/76/469246576.db2.gz RTBAVQYACSEWCF-ZDUSSCGKSA-N 2 2 344.381 2.223 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1C#N ZINC000574025200 469247469 /nfs/dbraw/zinc/24/74/69/469247469.db2.gz BYUZEWQHCUUTDI-AWEZNQCLSA-N 2 2 326.444 2.492 20 30 EEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602530172 469351232 /nfs/dbraw/zinc/35/12/32/469351232.db2.gz DZUWCCITVJGXML-QGZVFWFLSA-N 3 2 348.535 2.234 20 30 EEEDLP C=CCc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc(OC)c1O ZINC000668793414 472271069 /nfs/dbraw/zinc/27/10/69/472271069.db2.gz APWDZDAQGXFRDR-UHFFFAOYSA-N 2 2 342.443 2.185 20 30 EEEDLP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160046878 526379694 /nfs/dbraw/zinc/37/96/94/526379694.db2.gz HIGDOZQYTVFCLW-MLGOLLRUSA-N 2 2 330.436 2.146 20 30 EEEDLP CC(C)NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181464989 529124860 /nfs/dbraw/zinc/12/48/60/529124860.db2.gz KUCBTWNTULDWDS-UHFFFAOYSA-N 2 2 328.460 2.027 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H](CC)Cc2ccccc2)CC1 ZINC000759417112 577642467 /nfs/dbraw/zinc/64/24/67/577642467.db2.gz RGVNMADAYDSOTA-HXUWFJFHSA-N 2 2 341.499 2.107 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H](CC)Cc2ccccc2)CC1 ZINC000759417112 577642468 /nfs/dbraw/zinc/64/24/68/577642468.db2.gz RGVNMADAYDSOTA-HXUWFJFHSA-N 2 2 341.499 2.107 20 30 EEEDLP N#CCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532318 577945905 /nfs/dbraw/zinc/94/59/05/577945905.db2.gz WJJZNZRQWOZNFV-FQEVSTJZSA-N 2 2 340.471 2.004 20 30 EEEDLP N#CCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532318 577945906 /nfs/dbraw/zinc/94/59/06/577945906.db2.gz WJJZNZRQWOZNFV-FQEVSTJZSA-N 2 2 340.471 2.004 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747532318 577945907 /nfs/dbraw/zinc/94/59/07/577945907.db2.gz WJJZNZRQWOZNFV-FQEVSTJZSA-N 2 2 340.471 2.004 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747532318 577945908 /nfs/dbraw/zinc/94/59/08/577945908.db2.gz WJJZNZRQWOZNFV-FQEVSTJZSA-N 2 2 340.471 2.004 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H](CC)c2ccccc2)CC1 ZINC000748814461 577967302 /nfs/dbraw/zinc/96/73/02/577967302.db2.gz BLTGKCUJRUKHJK-IBGZPJMESA-N 2 2 327.472 2.237 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H](CC)c2ccccc2)CC1 ZINC000748814461 577967303 /nfs/dbraw/zinc/96/73/03/577967303.db2.gz BLTGKCUJRUKHJK-IBGZPJMESA-N 2 2 327.472 2.237 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000971923489 677849325 /nfs/dbraw/zinc/84/93/25/677849325.db2.gz VEQLLHAKTALVCK-HNNXBMFYSA-N 2 2 345.834 2.166 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000971923489 677849326 /nfs/dbraw/zinc/84/93/26/677849326.db2.gz VEQLLHAKTALVCK-HNNXBMFYSA-N 2 2 345.834 2.166 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC001022692906 678241987 /nfs/dbraw/zinc/24/19/87/678241987.db2.gz RTYGIVPEBRCUQZ-BBWFWOEESA-N 2 2 349.438 2.138 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024366990 679883820 /nfs/dbraw/zinc/88/38/20/679883820.db2.gz WSQGWVODUNESDG-PMACEKPBSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024366990 679883821 /nfs/dbraw/zinc/88/38/21/679883821.db2.gz WSQGWVODUNESDG-PMACEKPBSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024366990 679883822 /nfs/dbraw/zinc/88/38/22/679883822.db2.gz WSQGWVODUNESDG-PMACEKPBSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024366990 679883823 /nfs/dbraw/zinc/88/38/23/679883823.db2.gz WSQGWVODUNESDG-PMACEKPBSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974753716 685403405 /nfs/dbraw/zinc/40/34/05/685403405.db2.gz QVILTOVHXKYWFT-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974753716 685403408 /nfs/dbraw/zinc/40/34/08/685403408.db2.gz QVILTOVHXKYWFT-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982773552 682171448 /nfs/dbraw/zinc/17/14/48/682171448.db2.gz USKUILQIUKEKKC-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982773552 682171453 /nfs/dbraw/zinc/17/14/53/682171453.db2.gz USKUILQIUKEKKC-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]21 ZINC000992733945 683319912 /nfs/dbraw/zinc/31/99/12/683319912.db2.gz ZYOGZBQNOUYQCA-DJIMGWMZSA-N 2 2 329.444 2.035 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000987308729 689618355 /nfs/dbraw/zinc/61/83/55/689618355.db2.gz DVGJSYXNHYYVJR-HOCLYGCPSA-N 2 2 325.416 2.036 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001481690019 1182214840 /nfs/dbraw/zinc/21/48/40/1182214840.db2.gz ZNLAWQKZZSQCAP-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001481690019 1182214843 /nfs/dbraw/zinc/21/48/43/1182214843.db2.gz ZNLAWQKZZSQCAP-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001481690019 1182214844 /nfs/dbraw/zinc/21/48/44/1182214844.db2.gz ZNLAWQKZZSQCAP-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001481690019 1182214846 /nfs/dbraw/zinc/21/48/46/1182214846.db2.gz ZNLAWQKZZSQCAP-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107620201 1193462334 /nfs/dbraw/zinc/46/23/34/1193462334.db2.gz CGAPFIMEGIOCAC-NVXWUHKLSA-N 2 2 336.867 2.374 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107620201 1193462336 /nfs/dbraw/zinc/46/23/36/1193462336.db2.gz CGAPFIMEGIOCAC-NVXWUHKLSA-N 2 2 336.867 2.374 20 30 EEEDLP C=CCCC[NH2+]C1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001105483727 1188100364 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ZINC001039222630 1230453207 /nfs/dbraw/zinc/45/32/07/1230453207.db2.gz JPHMWBIPBIZDNU-DLBZAZTESA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223541 1230454538 /nfs/dbraw/zinc/45/45/38/1230454538.db2.gz WOSLQMRFZSIKDY-DLBZAZTESA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223541 1230454540 /nfs/dbraw/zinc/45/45/40/1230454540.db2.gz WOSLQMRFZSIKDY-DLBZAZTESA-N 2 2 328.460 2.069 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001039396591 1230579774 /nfs/dbraw/zinc/57/97/74/1230579774.db2.gz XUOAWSHJSHVNKR-KURKYZTESA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001039396591 1230579776 /nfs/dbraw/zinc/57/97/76/1230579776.db2.gz XUOAWSHJSHVNKR-KURKYZTESA-N 2 2 342.487 2.477 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC001040713069 1231345290 /nfs/dbraw/zinc/34/52/90/1231345290.db2.gz OFRQFQIRWPDASN-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001044653843 1233154032 /nfs/dbraw/zinc/15/40/32/1233154032.db2.gz FUZUZNYKXQPHNB-OLZOCXBDSA-N 2 2 340.855 2.071 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045954535 1234222488 /nfs/dbraw/zinc/22/24/88/1234222488.db2.gz BIIYRFTWKLPIHL-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045954535 1234222491 /nfs/dbraw/zinc/22/24/91/1234222491.db2.gz BIIYRFTWKLPIHL-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001047263229 1235773682 /nfs/dbraw/zinc/77/36/82/1235773682.db2.gz CESCLPKAUCWVSE-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001048542141 1237920012 /nfs/dbraw/zinc/92/00/12/1237920012.db2.gz MRCQPXSKXJSTPQ-ZJPYXAASSA-N 2 2 342.487 2.381 20 30 EEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001048542141 1237920020 /nfs/dbraw/zinc/92/00/20/1237920020.db2.gz MRCQPXSKXJSTPQ-ZJPYXAASSA-N 2 2 342.487 2.381 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001001475354 1242344141 /nfs/dbraw/zinc/34/41/41/1242344141.db2.gz BHVZXSMSODPNHQ-HNNXBMFYSA-N 2 2 336.867 2.341 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053049976 1245769816 /nfs/dbraw/zinc/76/98/16/1245769816.db2.gz GRRJJTMVGSCBEA-IAGOWNOFSA-N 2 2 342.487 2.271 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053049976 1245769821 /nfs/dbraw/zinc/76/98/21/1245769821.db2.gz GRRJJTMVGSCBEA-IAGOWNOFSA-N 2 2 342.487 2.271 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001053051896 1245776276 /nfs/dbraw/zinc/77/62/76/1245776276.db2.gz RDSCQRMVIPKRRK-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001053051896 1245776282 /nfs/dbraw/zinc/77/62/82/1245776282.db2.gz RDSCQRMVIPKRRK-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080126 1245843621 /nfs/dbraw/zinc/84/36/21/1245843621.db2.gz AMOQARVZQPHMTL-ZWKOTPCHSA-N 2 2 342.487 2.459 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080126 1245843629 /nfs/dbraw/zinc/84/36/29/1245843629.db2.gz AMOQARVZQPHMTL-ZWKOTPCHSA-N 2 2 342.487 2.459 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205064 1247709522 /nfs/dbraw/zinc/70/95/22/1247709522.db2.gz KBQAZJDWBQUODC-PKOBYXMFSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205064 1247709525 /nfs/dbraw/zinc/70/95/25/1247709525.db2.gz KBQAZJDWBQUODC-PKOBYXMFSA-N 2 2 328.460 2.172 20 30 EEEDLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001072081109 1254918874 /nfs/dbraw/zinc/91/88/74/1254918874.db2.gz GWPKYLQXOYZMFU-HUUCEWRRSA-N 2 2 346.500 2.185 20 30 EEEDLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001072081109 1254918883 /nfs/dbraw/zinc/91/88/83/1254918883.db2.gz GWPKYLQXOYZMFU-HUUCEWRRSA-N 2 2 346.500 2.185 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001072760890 1255351569 /nfs/dbraw/zinc/35/15/69/1255351569.db2.gz RVMCTUYIICDETC-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001072760890 1255351577 /nfs/dbraw/zinc/35/15/77/1255351577.db2.gz RVMCTUYIICDETC-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=CCC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1OC ZINC001198978012 1285456929 /nfs/dbraw/zinc/45/69/29/1285456929.db2.gz YNPCTYTVUMWFOF-QGZVFWFLSA-N 2 2 342.443 2.292 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C[C@@H](C)O2 ZINC001071179936 1286911382 /nfs/dbraw/zinc/91/13/82/1286911382.db2.gz CAEPHZCHUZIXOG-AUUYWEPGSA-N 2 2 340.427 2.054 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C[C@@H](C)O2 ZINC001071179936 1286911387 /nfs/dbraw/zinc/91/13/87/1286911387.db2.gz CAEPHZCHUZIXOG-AUUYWEPGSA-N 2 2 340.427 2.054 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCC#N)C3)cc1C#N ZINC001277943520 1305222485 /nfs/dbraw/zinc/22/24/85/1305222485.db2.gz XLHQQOQIGAPKLK-LJQANCHMSA-N 2 2 325.460 2.488 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCC#N)C3)cc1C#N ZINC001277943520 1305222492 /nfs/dbraw/zinc/22/24/92/1305222492.db2.gz XLHQQOQIGAPKLK-LJQANCHMSA-N 2 2 325.460 2.488 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCC#N)C3)cc1C#N ZINC001277943520 1305222495 /nfs/dbraw/zinc/22/24/95/1305222495.db2.gz XLHQQOQIGAPKLK-LJQANCHMSA-N 2 2 325.460 2.488 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCC#N)C3)cc1C#N ZINC001277943520 1305222500 /nfs/dbraw/zinc/22/25/00/1305222500.db2.gz XLHQQOQIGAPKLK-LJQANCHMSA-N 2 2 325.460 2.488 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975627 1296245467 /nfs/dbraw/zinc/24/54/67/1296245467.db2.gz PEBJHYQTCVKJIV-QZTJIDSGSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975627 1296245472 /nfs/dbraw/zinc/24/54/72/1296245472.db2.gz PEBJHYQTCVKJIV-QZTJIDSGSA-N 2 2 348.491 2.225 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218077042 1297565064 /nfs/dbraw/zinc/56/50/64/1297565064.db2.gz XQITYRBJWHPVHI-ZWKOTPCHSA-N 2 2 348.491 2.224 20 30 EEEDLP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218077042 1297565072 /nfs/dbraw/zinc/56/50/72/1297565072.db2.gz XQITYRBJWHPVHI-ZWKOTPCHSA-N 2 2 348.491 2.224 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC001218077042 1297565078 /nfs/dbraw/zinc/56/50/78/1297565078.db2.gz XQITYRBJWHPVHI-ZWKOTPCHSA-N 2 2 348.491 2.224 20 30 EEEDLP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC001218077042 1297565080 /nfs/dbraw/zinc/56/50/80/1297565080.db2.gz XQITYRBJWHPVHI-ZWKOTPCHSA-N 2 2 348.491 2.224 20 30 EEEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001246002021 1310206874 /nfs/dbraw/zinc/20/68/74/1310206874.db2.gz KZXLZVZUTIOVLZ-DLBZAZTESA-N 2 2 328.497 2.229 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226089 1317510089 /nfs/dbraw/zinc/51/00/89/1317510089.db2.gz GZUCCFSWYHLIQL-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226089 1317510094 /nfs/dbraw/zinc/51/00/94/1317510094.db2.gz GZUCCFSWYHLIQL-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226089 1317510096 /nfs/dbraw/zinc/51/00/96/1317510096.db2.gz GZUCCFSWYHLIQL-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226089 1317510102 /nfs/dbraw/zinc/51/01/02/1317510102.db2.gz GZUCCFSWYHLIQL-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP N#Cc1c(Cl)cc(Cl)nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155381134 1317573029 /nfs/dbraw/zinc/57/30/29/1317573029.db2.gz ABYCFPOCRCKNJY-LLVKDONJSA-N 2 2 340.258 2.119 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471978 1319256877 /nfs/dbraw/zinc/25/68/77/1319256877.db2.gz QOBWYCXAVJZQKO-PBHICJAKSA-N 2 2 333.480 2.241 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471978 1319256881 /nfs/dbraw/zinc/25/68/81/1319256881.db2.gz QOBWYCXAVJZQKO-PBHICJAKSA-N 2 2 333.480 2.241 20 30 EEEDLP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001160779453 1320265864 /nfs/dbraw/zinc/26/58/64/1320265864.db2.gz ZOAORQOJYZXRTP-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001160779453 1320265868 /nfs/dbraw/zinc/26/58/68/1320265868.db2.gz ZOAORQOJYZXRTP-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC001160779453 1320265873 /nfs/dbraw/zinc/26/58/73/1320265873.db2.gz ZOAORQOJYZXRTP-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC001160779453 1320265875 /nfs/dbraw/zinc/26/58/75/1320265875.db2.gz ZOAORQOJYZXRTP-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001203806936 1321965071 /nfs/dbraw/zinc/96/50/71/1321965071.db2.gz MQDXDASQHKVMAN-LPHOPBHVSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001206459872 1323500162 /nfs/dbraw/zinc/50/01/62/1323500162.db2.gz OKEPQDWJXNVQGM-UHFFFAOYSA-N 2 2 349.519 2.036 20 30 EEEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648580 1324606754 /nfs/dbraw/zinc/60/67/54/1324606754.db2.gz KGKJRGRWJRLPJO-KRWDZBQOSA-N 2 2 331.460 2.404 20 30 EEEDLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317973163 1332455574 /nfs/dbraw/zinc/45/55/74/1332455574.db2.gz RDOOGFRSYZLUSC-PMACEKPBSA-N 2 2 341.499 2.205 20 30 EEEDLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001317973163 1332455576 /nfs/dbraw/zinc/45/55/76/1332455576.db2.gz RDOOGFRSYZLUSC-PMACEKPBSA-N 2 2 341.499 2.205 20 30 EEEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001339773810 1337070913 /nfs/dbraw/zinc/07/09/13/1337070913.db2.gz FSVAZXCMPMEHQH-PMPSAXMXSA-N 2 2 332.496 2.150 20 30 EEEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001339773810 1337070914 /nfs/dbraw/zinc/07/09/14/1337070914.db2.gz FSVAZXCMPMEHQH-PMPSAXMXSA-N 2 2 332.496 2.150 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001339773810 1337070916 /nfs/dbraw/zinc/07/09/16/1337070916.db2.gz FSVAZXCMPMEHQH-PMPSAXMXSA-N 2 2 332.496 2.150 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001339773810 1337070919 /nfs/dbraw/zinc/07/09/19/1337070919.db2.gz FSVAZXCMPMEHQH-PMPSAXMXSA-N 2 2 332.496 2.150 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001339775590 1337071264 /nfs/dbraw/zinc/07/12/64/1337071264.db2.gz WRZXBIMJHQTKRP-IRXDYDNUSA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001339775590 1337071268 /nfs/dbraw/zinc/07/12/68/1337071268.db2.gz WRZXBIMJHQTKRP-IRXDYDNUSA-N 2 2 344.507 2.295 20 30 EEEDLP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135133035 1368050978 /nfs/dbraw/zinc/05/09/78/1368050978.db2.gz WIDHWIQTNHSXTO-QWHCGFSZSA-N 2 2 343.269 2.055 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115304682 1371563858 /nfs/dbraw/zinc/56/38/58/1371563858.db2.gz UINFTHZCYRUUMT-LTIDMASMSA-N 2 2 333.863 2.088 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115304682 1371563861 /nfs/dbraw/zinc/56/38/61/1371563861.db2.gz UINFTHZCYRUUMT-LTIDMASMSA-N 2 2 333.863 2.088 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001389532501 1388176905 /nfs/dbraw/zinc/17/69/05/1388176905.db2.gz SKIGRVLJIDNSBW-HNNXBMFYSA-N 2 2 336.867 2.076 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC1CC[NH+](C)CC1 ZINC001374540793 1376918075 /nfs/dbraw/zinc/91/80/75/1376918075.db2.gz ZTQUJPZRYYBXNB-UHFFFAOYSA-N 2 2 342.487 2.180 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC1CC[NH+](C)CC1 ZINC001374540793 1376918077 /nfs/dbraw/zinc/91/80/77/1376918077.db2.gz ZTQUJPZRYYBXNB-UHFFFAOYSA-N 2 2 342.487 2.180 20 30 EEEDLP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CCCn1cc[nH+]c1 ZINC001374560022 1376939426 /nfs/dbraw/zinc/93/94/26/1376939426.db2.gz ZPOSSEFKDAINHP-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CCCn1cc[nH+]c1 ZINC001374560022 1376939428 /nfs/dbraw/zinc/93/94/28/1376939428.db2.gz ZPOSSEFKDAINHP-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001401392522 1397224873 /nfs/dbraw/zinc/22/48/73/1397224873.db2.gz BSVNEMCKDQFVAV-MRXNPFEDSA-N 2 2 339.443 2.296 20 30 EEEDLP C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001401392522 1397224882 /nfs/dbraw/zinc/22/48/82/1397224882.db2.gz BSVNEMCKDQFVAV-MRXNPFEDSA-N 2 2 339.443 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001401759677 1397554184 /nfs/dbraw/zinc/55/41/84/1397554184.db2.gz JMXMZGXLCSPCNR-CYBMUJFWSA-N 2 2 333.823 2.070 20 30 EEEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001401759677 1397554186 /nfs/dbraw/zinc/55/41/86/1397554186.db2.gz JMXMZGXLCSPCNR-CYBMUJFWSA-N 2 2 333.823 2.070 20 30 EEEDLP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001403350056 1399780630 /nfs/dbraw/zinc/78/06/30/1399780630.db2.gz KBYLHHRLGODMLN-KXBFYZLASA-N 2 2 342.487 2.081 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755204190 1407215465 /nfs/dbraw/zinc/21/54/65/1407215465.db2.gz IEGSWDFXBUALLA-SJORKVTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755204190 1407215468 /nfs/dbraw/zinc/21/54/68/1407215468.db2.gz IEGSWDFXBUALLA-SJORKVTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460034 760890239 /nfs/dbraw/zinc/89/02/39/760890239.db2.gz IKSKTMMIOTWZFP-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460034 760890252 /nfs/dbraw/zinc/89/02/52/760890252.db2.gz IKSKTMMIOTWZFP-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088019100 782776323 /nfs/dbraw/zinc/77/63/23/782776323.db2.gz WRLSLSMKGSEDQH-BBWFWOEESA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088019100 782776326 /nfs/dbraw/zinc/77/63/26/782776326.db2.gz WRLSLSMKGSEDQH-BBWFWOEESA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088019100 782776327 /nfs/dbraw/zinc/77/63/27/782776327.db2.gz WRLSLSMKGSEDQH-BBWFWOEESA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088019100 782776330 /nfs/dbraw/zinc/77/63/30/782776330.db2.gz WRLSLSMKGSEDQH-BBWFWOEESA-N 2 2 342.487 2.179 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127548002 770894802 /nfs/dbraw/zinc/89/48/02/770894802.db2.gz WCPJDSANFAWRSZ-BRWVUGGUSA-N 2 2 330.476 2.214 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001089802997 775832310 /nfs/dbraw/zinc/83/23/10/775832310.db2.gz JMWPKPUTFBBORX-QAETUUGQSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001089802997 775832315 /nfs/dbraw/zinc/83/23/15/775832315.db2.gz JMWPKPUTFBBORX-QAETUUGQSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089805066 775934884 /nfs/dbraw/zinc/93/48/84/775934884.db2.gz ZNQPZOQYALHUMQ-FJIDUMEYSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089805066 775934894 /nfs/dbraw/zinc/93/48/94/775934894.db2.gz ZNQPZOQYALHUMQ-FJIDUMEYSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324902 777173792 /nfs/dbraw/zinc/17/37/92/777173792.db2.gz WRTFMFNORKEHCN-INIZCTEOSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324902 777173795 /nfs/dbraw/zinc/17/37/95/777173795.db2.gz WRTFMFNORKEHCN-INIZCTEOSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324902 777173799 /nfs/dbraw/zinc/17/37/99/777173799.db2.gz WRTFMFNORKEHCN-INIZCTEOSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324902 777173803 /nfs/dbraw/zinc/17/38/03/777173803.db2.gz WRTFMFNORKEHCN-INIZCTEOSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997648949 790541490 /nfs/dbraw/zinc/54/14/90/790541490.db2.gz LKZNXCZQDHHMEQ-RDJZCZTQSA-N 2 2 330.476 2.238 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC#Cc1ccccc1 ZINC001088857838 790812068 /nfs/dbraw/zinc/81/20/68/790812068.db2.gz GCEGDKPFLNDICP-NSHGMRRFSA-N 2 2 339.483 2.101 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC#Cc1ccccc1 ZINC001088857838 790812079 /nfs/dbraw/zinc/81/20/79/790812079.db2.gz GCEGDKPFLNDICP-NSHGMRRFSA-N 2 2 339.483 2.101 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088857838 790812092 /nfs/dbraw/zinc/81/20/92/790812092.db2.gz GCEGDKPFLNDICP-NSHGMRRFSA-N 2 2 339.483 2.101 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC#Cc1ccccc1 ZINC001088857838 790812107 /nfs/dbraw/zinc/81/21/07/790812107.db2.gz GCEGDKPFLNDICP-NSHGMRRFSA-N 2 2 339.483 2.101 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296637 783407679 /nfs/dbraw/zinc/40/76/79/783407679.db2.gz WSDHPADNTBXXDW-CVEARBPZSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296637 783407684 /nfs/dbraw/zinc/40/76/84/783407684.db2.gz WSDHPADNTBXXDW-CVEARBPZSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035252236 784250577 /nfs/dbraw/zinc/25/05/77/784250577.db2.gz NIWKAZTUKMRZST-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035252236 784250580 /nfs/dbraw/zinc/25/05/80/784250580.db2.gz NIWKAZTUKMRZST-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991477022 789031025 /nfs/dbraw/zinc/03/10/25/789031025.db2.gz WOGOBQKGLRIEPA-FRQCXROJSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991477022 789031032 /nfs/dbraw/zinc/03/10/32/789031032.db2.gz WOGOBQKGLRIEPA-FRQCXROJSA-N 2 2 328.460 2.135 20 30 EEEDLP [NH2+]=C(Nc1cnc(O[C@H]2CC[NH2+]C2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171185219 789786158 /nfs/dbraw/zinc/78/61/58/789786158.db2.gz UIOZWZANSWJWJT-KRWDZBQOSA-N 2 2 349.394 2.113 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001088957079 791734813 /nfs/dbraw/zinc/73/48/13/791734813.db2.gz IRKJMCQWVVKFCS-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001088957079 791734815 /nfs/dbraw/zinc/73/48/15/791734815.db2.gz IRKJMCQWVVKFCS-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045019 791881616 /nfs/dbraw/zinc/88/16/16/791881616.db2.gz INFVEDUSUKKOHF-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045019 791881617 /nfs/dbraw/zinc/88/16/17/791881617.db2.gz INFVEDUSUKKOHF-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001147799342 791968174 /nfs/dbraw/zinc/96/81/74/791968174.db2.gz MZXIMXNSUMAYDY-IAGOWNOFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001147799342 791968180 /nfs/dbraw/zinc/96/81/80/791968180.db2.gz MZXIMXNSUMAYDY-IAGOWNOFSA-N 2 2 342.487 2.335 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001086932731 793068775 /nfs/dbraw/zinc/06/87/75/793068775.db2.gz SLISBOYXABLFRS-MRXNPFEDSA-N 2 2 336.439 2.284 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779794 793290878 /nfs/dbraw/zinc/29/08/78/793290878.db2.gz KGNVXLIGALRCSQ-APWZRJJASA-N 2 2 330.476 2.283 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779794 793290887 /nfs/dbraw/zinc/29/08/87/793290887.db2.gz KGNVXLIGALRCSQ-APWZRJJASA-N 2 2 330.476 2.283 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001093581390 795392684 /nfs/dbraw/zinc/39/26/84/795392684.db2.gz IUGLMTZDBKZTST-KRWDZBQOSA-N 2 2 349.519 2.129 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860454 795545102 /nfs/dbraw/zinc/54/51/02/795545102.db2.gz ILJDBKOOWCPDRO-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860454 795545107 /nfs/dbraw/zinc/54/51/07/795545107.db2.gz ILJDBKOOWCPDRO-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028284 795869834 /nfs/dbraw/zinc/86/98/34/795869834.db2.gz CZTHDHBLECSRSK-LJQANCHMSA-N 2 2 342.443 2.350 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028284 795869840 /nfs/dbraw/zinc/86/98/40/795869840.db2.gz CZTHDHBLECSRSK-LJQANCHMSA-N 2 2 342.443 2.350 20 30 EEEDLP CC1(C#N)CCC([N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173595084 797551218 /nfs/dbraw/zinc/55/12/18/797551218.db2.gz RFWBPKVDZTUGQJ-UHFFFAOYSA-N 2 2 339.447 2.201 20 30 EEEDLP CC1(C#N)CCC([N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173595084 797551225 /nfs/dbraw/zinc/55/12/25/797551225.db2.gz RFWBPKVDZTUGQJ-UHFFFAOYSA-N 2 2 339.447 2.201 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994404582 797955867 /nfs/dbraw/zinc/95/58/67/797955867.db2.gz FUJXAQATRGQFMK-LPHOPBHVSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994404582 797955868 /nfs/dbraw/zinc/95/58/68/797955868.db2.gz FUJXAQATRGQFMK-LPHOPBHVSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175888238 798262421 /nfs/dbraw/zinc/26/24/21/798262421.db2.gz HKNPRXKUIQXXAK-QGZVFWFLSA-N 2 2 338.455 2.269 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)Cn1cc[nH+]c1 ZINC001176829857 798590256 /nfs/dbraw/zinc/59/02/56/798590256.db2.gz RUIILJCDHNZHBH-MRXNPFEDSA-N 2 2 339.443 2.220 20 30 EEEDLP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176830004 798590857 /nfs/dbraw/zinc/59/08/57/798590857.db2.gz XVDWHLJRCXUOKP-CYBMUJFWSA-N 2 2 343.269 2.056 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001003493810 799730687 /nfs/dbraw/zinc/73/06/87/799730687.db2.gz NHRCKHGREYNXKL-IBGZPJMESA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001003493810 799730694 /nfs/dbraw/zinc/73/06/94/799730694.db2.gz NHRCKHGREYNXKL-IBGZPJMESA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180179679 800288491 /nfs/dbraw/zinc/28/84/91/800288491.db2.gz VUVWGCHZSZKAPK-UHFFFAOYSA-N 2 2 326.872 2.371 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085648061 800987127 /nfs/dbraw/zinc/98/71/27/800987127.db2.gz BKZXIEODNWJSBZ-MOPGFXCFSA-N 2 2 329.488 2.117 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085648061 800987130 /nfs/dbraw/zinc/98/71/30/800987130.db2.gz BKZXIEODNWJSBZ-MOPGFXCFSA-N 2 2 329.488 2.117 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085648061 800987132 /nfs/dbraw/zinc/98/71/32/800987132.db2.gz BKZXIEODNWJSBZ-MOPGFXCFSA-N 2 2 329.488 2.117 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085648061 800987136 /nfs/dbraw/zinc/98/71/36/800987136.db2.gz BKZXIEODNWJSBZ-MOPGFXCFSA-N 2 2 329.488 2.117 20 30 EEEDLP CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004592899 802441745 /nfs/dbraw/zinc/44/17/45/802441745.db2.gz PRQAPRGCNRBVEW-IBGZPJMESA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004592899 802441746 /nfs/dbraw/zinc/44/17/46/802441746.db2.gz PRQAPRGCNRBVEW-IBGZPJMESA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)C[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001130001670 811070803 /nfs/dbraw/zinc/07/08/03/811070803.db2.gz WHEBFWWEKFCDLR-GOSISDBHSA-N 2 2 339.443 2.248 20 30 EEEDLP C=C(Br)C[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001437760807 1090334595 /nfs/dbraw/zinc/33/45/95/1090334595.db2.gz HWNXJOFSJFSION-CYBMUJFWSA-N 2 2 346.313 2.065 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437760807 1090334603 /nfs/dbraw/zinc/33/46/03/1090334603.db2.gz HWNXJOFSJFSION-CYBMUJFWSA-N 2 2 346.313 2.065 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437760807 1090334611 /nfs/dbraw/zinc/33/46/11/1090334611.db2.gz HWNXJOFSJFSION-CYBMUJFWSA-N 2 2 346.313 2.065 20 30 EEEDLP C=C(Br)C[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001437760807 1090334587 /nfs/dbraw/zinc/33/45/87/1090334587.db2.gz HWNXJOFSJFSION-CYBMUJFWSA-N 2 2 346.313 2.065 20 30 EEEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000459339425 245085193 /nfs/dbraw/zinc/08/51/93/245085193.db2.gz DAJLWOYFWGGUQC-HNNXBMFYSA-N 2 2 337.431 2.188 20 30 EEEDLP C=CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000459339425 245085195 /nfs/dbraw/zinc/08/51/95/245085195.db2.gz DAJLWOYFWGGUQC-HNNXBMFYSA-N 2 2 337.431 2.188 20 30 EEEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017745 218185940 /nfs/dbraw/zinc/18/59/40/218185940.db2.gz XRYTVVXKRADVQE-LJQANCHMSA-N 2 2 328.456 2.243 20 30 EEEDLP C#CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017745 218185943 /nfs/dbraw/zinc/18/59/43/218185943.db2.gz XRYTVVXKRADVQE-LJQANCHMSA-N 2 2 328.456 2.243 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630634 781977825 /nfs/dbraw/zinc/97/78/25/781977825.db2.gz QZDALGVUNQGEFO-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630634 781977836 /nfs/dbraw/zinc/97/78/36/781977836.db2.gz QZDALGVUNQGEFO-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630634 781977843 /nfs/dbraw/zinc/97/78/43/781977843.db2.gz QZDALGVUNQGEFO-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630634 781977849 /nfs/dbraw/zinc/97/78/49/781977849.db2.gz QZDALGVUNQGEFO-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631026 781979039 /nfs/dbraw/zinc/97/90/39/781979039.db2.gz HSLBMTZSMAPFQX-RYQLBKOJSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631026 781979046 /nfs/dbraw/zinc/97/90/46/781979046.db2.gz HSLBMTZSMAPFQX-RYQLBKOJSA-N 2 2 330.476 2.381 20 30 EEEDLP N#Cc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C(N)=O)cc1 ZINC000115596666 152033732 /nfs/dbraw/zinc/03/37/32/152033732.db2.gz AHPITQXLIWECJY-FQEVSTJZSA-N 2 2 348.450 2.470 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000351060076 465063266 /nfs/dbraw/zinc/06/32/66/465063266.db2.gz DDKBFRWLMFUVGS-KRWDZBQOSA-N 2 2 345.487 2.031 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000351060076 465063270 /nfs/dbraw/zinc/06/32/70/465063270.db2.gz DDKBFRWLMFUVGS-KRWDZBQOSA-N 2 2 345.487 2.031 20 30 EEEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103519 465083859 /nfs/dbraw/zinc/08/38/59/465083859.db2.gz SULYLPZQQFQTCF-AEFFLSMTSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[N@H+]1CCC[C@H](C[NH+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103519 465083866 /nfs/dbraw/zinc/08/38/66/465083866.db2.gz SULYLPZQQFQTCF-AEFFLSMTSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[NH+]1CCC[C@H](C[N@H+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103519 465083871 /nfs/dbraw/zinc/08/38/71/465083871.db2.gz SULYLPZQQFQTCF-AEFFLSMTSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[NH+]1CCC[C@H](C[N@@H+](C)CCOCCC#N)[C@H]1c1cnn(C)c1 ZINC000339103519 465083873 /nfs/dbraw/zinc/08/38/73/465083873.db2.gz SULYLPZQQFQTCF-AEFFLSMTSA-N 2 2 333.480 2.055 20 30 EEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000296756445 465233166 /nfs/dbraw/zinc/23/31/66/465233166.db2.gz FMFXAIZJXZDGOE-INIZCTEOSA-N 2 2 348.516 2.091 20 30 EEEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000296756445 465233172 /nfs/dbraw/zinc/23/31/72/465233172.db2.gz FMFXAIZJXZDGOE-INIZCTEOSA-N 2 2 348.516 2.091 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134863679 463089264 /nfs/dbraw/zinc/08/92/64/463089264.db2.gz HPXRCNPSEIOICV-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134863679 463089267 /nfs/dbraw/zinc/08/92/67/463089267.db2.gz HPXRCNPSEIOICV-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134863679 463089271 /nfs/dbraw/zinc/08/92/71/463089271.db2.gz HPXRCNPSEIOICV-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134863679 463089275 /nfs/dbraw/zinc/08/92/75/463089275.db2.gz HPXRCNPSEIOICV-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000277270165 463907519 /nfs/dbraw/zinc/90/75/19/463907519.db2.gz RNAFRAUWSOVVDG-KRWDZBQOSA-N 2 2 328.460 2.349 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000277270165 463907525 /nfs/dbraw/zinc/90/75/25/463907525.db2.gz RNAFRAUWSOVVDG-KRWDZBQOSA-N 2 2 328.460 2.349 20 30 EEEDLP CS[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271850025 464394515 /nfs/dbraw/zinc/39/45/15/464394515.db2.gz IMRBYGUCYMYDFK-KDOFPFPSSA-N 2 2 333.501 2.225 20 30 EEEDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591147549 468415207 /nfs/dbraw/zinc/41/52/07/468415207.db2.gz CFRAEFACGFPDGY-HNNXBMFYSA-N 2 2 343.431 2.355 20 30 EEEDLP Cc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591147549 468415210 /nfs/dbraw/zinc/41/52/10/468415210.db2.gz CFRAEFACGFPDGY-HNNXBMFYSA-N 2 2 343.431 2.355 20 30 EEEDLP C[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247435305 464678854 /nfs/dbraw/zinc/67/88/54/464678854.db2.gz IMFLOFADXDGQBH-IAGOWNOFSA-N 2 2 343.475 2.451 20 30 EEEDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247435305 464678859 /nfs/dbraw/zinc/67/88/59/464678859.db2.gz IMFLOFADXDGQBH-IAGOWNOFSA-N 2 2 343.475 2.451 20 30 EEEDLP Cc1nsc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1C#N ZINC000352176822 465493287 /nfs/dbraw/zinc/49/32/87/465493287.db2.gz VADFOSQRXQAJHH-UHFFFAOYSA-N 2 2 344.488 2.431 20 30 EEEDLP CCOC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000351947215 465459871 /nfs/dbraw/zinc/45/98/71/465459871.db2.gz NSRYYWMJHXOKLC-UHFFFAOYSA-N 2 2 341.455 2.456 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000344543521 465658611 /nfs/dbraw/zinc/65/86/11/465658611.db2.gz XFOKZXLIJIZIFT-GOSISDBHSA-N 2 2 327.453 2.346 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000344543521 465658613 /nfs/dbraw/zinc/65/86/13/465658613.db2.gz XFOKZXLIJIZIFT-GOSISDBHSA-N 2 2 327.453 2.346 20 30 EEEDLP Cc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(=O)[nH]1 ZINC000346306242 466078119 /nfs/dbraw/zinc/07/81/19/466078119.db2.gz XJZBEGGAVCHGQJ-UHFFFAOYSA-N 2 2 337.427 2.117 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346547986 466111932 /nfs/dbraw/zinc/11/19/32/466111932.db2.gz IFYUJYOVUVFGGF-INIZCTEOSA-N 2 2 343.475 2.326 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576766762 468172308 /nfs/dbraw/zinc/17/23/08/468172308.db2.gz VPKTULKOXZHNSK-NXHRZFHOSA-N 2 2 328.460 2.047 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576766762 468172314 /nfs/dbraw/zinc/17/23/14/468172314.db2.gz VPKTULKOXZHNSK-NXHRZFHOSA-N 2 2 328.460 2.047 20 30 EEEDLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC(C)(C)C#N ZINC000602675027 469004007 /nfs/dbraw/zinc/00/40/07/469004007.db2.gz IRGGNKDLQUSTGI-UHFFFAOYSA-N 2 2 331.460 2.379 20 30 EEEDLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC(C)(C)C#N ZINC000602675027 469004014 /nfs/dbraw/zinc/00/40/14/469004014.db2.gz IRGGNKDLQUSTGI-UHFFFAOYSA-N 2 2 331.460 2.379 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000610571735 469005260 /nfs/dbraw/zinc/00/52/60/469005260.db2.gz DGUHKYMCBGJLNF-GOSISDBHSA-N 2 2 340.427 2.026 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000593693136 469098545 /nfs/dbraw/zinc/09/85/45/469098545.db2.gz PYZVONBPFOEIRE-UHFFFAOYSA-N 2 2 348.450 2.411 20 30 EEEDLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000612117411 469399002 /nfs/dbraw/zinc/39/90/02/469399002.db2.gz KRKLWZJZGQOJPP-SFHVURJKSA-N 2 2 343.471 2.053 20 30 EEEDLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000612117411 469399007 /nfs/dbraw/zinc/39/90/07/469399007.db2.gz KRKLWZJZGQOJPP-SFHVURJKSA-N 2 2 343.471 2.053 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000618903243 469465183 /nfs/dbraw/zinc/46/51/83/469465183.db2.gz FSBXAZIPBLPCBP-UHFFFAOYSA-N 2 2 346.232 2.366 20 30 EEEDLP C=C[C@H]([NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)C(=O)OC ZINC000619701205 469666264 /nfs/dbraw/zinc/66/62/64/469666264.db2.gz APORJJVOUJGWJH-HNNXBMFYSA-N 2 2 337.489 2.235 20 30 EEEDLP c1cn(-c2ccc(N=NC3CC[N@@H+](Cc4ccccc4)C3)nn2)c[nH+]1 ZINC000761848305 577690022 /nfs/dbraw/zinc/69/00/22/577690022.db2.gz WVAFQXWZIKGWJZ-UHFFFAOYSA-N 2 2 333.399 2.336 20 30 EEEDLP c1cn(-c2ccc(N=NC3CC[N@H+](Cc4ccccc4)C3)nn2)c[nH+]1 ZINC000761848305 577690023 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C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024756562 681418150 /nfs/dbraw/zinc/41/81/50/681418150.db2.gz SHIREWUXBFNHPR-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024756562 681418153 /nfs/dbraw/zinc/41/81/53/681418153.db2.gz SHIREWUXBFNHPR-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539227 681875165 /nfs/dbraw/zinc/87/51/65/681875165.db2.gz QYUYGENZGLCTTB-CQSZACIVSA-N 2 2 332.835 2.447 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028539227 681875170 /nfs/dbraw/zinc/87/51/70/681875170.db2.gz QYUYGENZGLCTTB-CQSZACIVSA-N 2 2 332.835 2.447 20 30 EEEDLP C[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261967877 682684887 /nfs/dbraw/zinc/68/48/87/682684887.db2.gz LXALPOROHNELTR-JKSUJKDBSA-N 2 2 333.480 2.037 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC000992752092 683383487 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JXBTZJYMRGNCME-SFHVURJKSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943876344 1192646151 /nfs/dbraw/zinc/64/61/51/1192646151.db2.gz JAIXLYLJKUNBRJ-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943876344 1192646153 /nfs/dbraw/zinc/64/61/53/1192646153.db2.gz JAIXLYLJKUNBRJ-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944124009 1192897962 /nfs/dbraw/zinc/89/79/62/1192897962.db2.gz ZGXIWPSJWNIGJW-NVXWUHKLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944124009 1192897963 /nfs/dbraw/zinc/89/79/63/1192897963.db2.gz ZGXIWPSJWNIGJW-NVXWUHKLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001088573776 1187413421 /nfs/dbraw/zinc/41/34/21/1187413421.db2.gz JPKYLTFNHITEAY-TVFCKZIOSA-N 2 2 342.487 2.309 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001088573776 1187413425 /nfs/dbraw/zinc/41/34/25/1187413425.db2.gz JPKYLTFNHITEAY-TVFCKZIOSA-N 2 2 342.487 2.309 20 30 EEEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105575269 1188189715 /nfs/dbraw/zinc/18/97/15/1188189715.db2.gz WWFJHMGNMBWXIP-KRWDZBQOSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076240296 1188796654 /nfs/dbraw/zinc/79/66/54/1188796654.db2.gz TYDIDPRGBINTLG-LSDHHAIUSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076240296 1188796658 /nfs/dbraw/zinc/79/66/58/1188796658.db2.gz TYDIDPRGBINTLG-LSDHHAIUSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076240296 1188796662 /nfs/dbraw/zinc/79/66/62/1188796662.db2.gz TYDIDPRGBINTLG-LSDHHAIUSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076240296 1188796665 /nfs/dbraw/zinc/79/66/65/1188796665.db2.gz TYDIDPRGBINTLG-LSDHHAIUSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282652 1196046634 /nfs/dbraw/zinc/04/66/34/1196046634.db2.gz QOGANIHUPCPSLA-HNNXBMFYSA-N 2 2 334.464 2.287 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282652 1196046638 /nfs/dbraw/zinc/04/66/38/1196046638.db2.gz QOGANIHUPCPSLA-HNNXBMFYSA-N 2 2 334.464 2.287 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489405 1196299429 /nfs/dbraw/zinc/29/94/29/1196299429.db2.gz BYLPPMWXDMLWIK-CQSZACIVSA-N 2 2 336.867 2.484 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489405 1196299432 /nfs/dbraw/zinc/29/94/32/1196299432.db2.gz BYLPPMWXDMLWIK-CQSZACIVSA-N 2 2 336.867 2.484 20 30 EEEDLP C=C(Br)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001440426333 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BTFJQOHLWUYTPJ-HZPDHXFCSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000947920045 1208776373 /nfs/dbraw/zinc/77/63/73/1208776373.db2.gz BTFJQOHLWUYTPJ-HZPDHXFCSA-N 2 2 339.443 2.426 20 30 EEEDLP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000948933008 1209460840 /nfs/dbraw/zinc/46/08/40/1209460840.db2.gz RXZMHNYFJYWQSD-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000948933008 1209460842 /nfs/dbraw/zinc/46/08/42/1209460842.db2.gz RXZMHNYFJYWQSD-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948933008 1209460844 /nfs/dbraw/zinc/46/08/44/1209460844.db2.gz RXZMHNYFJYWQSD-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948933008 1209460846 /nfs/dbraw/zinc/46/08/46/1209460846.db2.gz RXZMHNYFJYWQSD-WOJBJXKFSA-N 2 2 339.483 2.210 20 30 EEEDLP 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ZINC001099030764 1298811945 /nfs/dbraw/zinc/81/19/45/1298811945.db2.gz BWHGEKHSWHLBSF-YJBOKZPZSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099030764 1298811959 /nfs/dbraw/zinc/81/19/59/1298811959.db2.gz BWHGEKHSWHLBSF-YJBOKZPZSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030764 1298811972 /nfs/dbraw/zinc/81/19/72/1298811972.db2.gz BWHGEKHSWHLBSF-YJBOKZPZSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030764 1298811987 /nfs/dbraw/zinc/81/19/87/1298811987.db2.gz BWHGEKHSWHLBSF-YJBOKZPZSA-N 2 2 339.911 2.442 20 30 EEEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001099489002 1299162540 /nfs/dbraw/zinc/16/25/40/1299162540.db2.gz KHEWPQWBAWKYPJ-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001099489002 1299162573 /nfs/dbraw/zinc/16/25/73/1299162573.db2.gz KHEWPQWBAWKYPJ-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001099489002 1299162582 /nfs/dbraw/zinc/16/25/82/1299162582.db2.gz KHEWPQWBAWKYPJ-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001099489002 1299162593 /nfs/dbraw/zinc/16/25/93/1299162593.db2.gz KHEWPQWBAWKYPJ-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001223651951 1300210575 /nfs/dbraw/zinc/21/05/75/1300210575.db2.gz HTHPGYZTCSSCPB-JZXOWHBKSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001223651951 1300210580 /nfs/dbraw/zinc/21/05/80/1300210580.db2.gz HTHPGYZTCSSCPB-JZXOWHBKSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223651951 1300210588 /nfs/dbraw/zinc/21/05/88/1300210588.db2.gz HTHPGYZTCSSCPB-JZXOWHBKSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223651951 1300210591 /nfs/dbraw/zinc/21/05/91/1300210591.db2.gz HTHPGYZTCSSCPB-JZXOWHBKSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159573 1302352988 /nfs/dbraw/zinc/35/29/88/1302352988.db2.gz PDHCOWWYTPMGGG-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159573 1302352999 /nfs/dbraw/zinc/35/29/99/1302352999.db2.gz PDHCOWWYTPMGGG-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001121318785 1309980107 /nfs/dbraw/zinc/98/01/07/1309980107.db2.gz NTFGDZHZVCSRJL-UEBDJUODSA-N 2 2 342.487 2.429 20 30 EEEDLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769966 1310422577 /nfs/dbraw/zinc/42/25/77/1310422577.db2.gz SGYZSZURTSYKMX-ZTNFWEORSA-N 2 2 338.455 2.128 20 30 EEEDLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769966 1310422587 /nfs/dbraw/zinc/42/25/87/1310422587.db2.gz SGYZSZURTSYKMX-ZTNFWEORSA-N 2 2 338.455 2.128 20 30 EEEDLP N#C[C@@H]1C[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246955547 1310477281 /nfs/dbraw/zinc/47/72/81/1310477281.db2.gz NSZGOFIGGOMKMM-GOEBONIOSA-N 2 2 334.414 2.163 20 30 EEEDLP N#C[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246955547 1310477305 /nfs/dbraw/zinc/47/73/05/1310477305.db2.gz NSZGOFIGGOMKMM-GOEBONIOSA-N 2 2 334.414 2.163 20 30 EEEDLP C=C[C@@H](O)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001253582646 1317888167 /nfs/dbraw/zinc/88/81/67/1317888167.db2.gz RODBRDZTCIHGBU-QGZVFWFLSA-N 2 2 327.428 2.212 20 30 EEEDLP C=C[C@@H](O)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001253582646 1317888168 /nfs/dbraw/zinc/88/81/68/1317888168.db2.gz RODBRDZTCIHGBU-QGZVFWFLSA-N 2 2 327.428 2.212 20 30 EEEDLP C=C[C@@H](O)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001253582646 1317888175 /nfs/dbraw/zinc/88/81/75/1317888175.db2.gz RODBRDZTCIHGBU-QGZVFWFLSA-N 2 2 327.428 2.212 20 30 EEEDLP C=C[C@@H](O)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001253582646 1317888182 /nfs/dbraw/zinc/88/81/82/1317888182.db2.gz RODBRDZTCIHGBU-QGZVFWFLSA-N 2 2 327.428 2.212 20 30 EEEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160951764 1320329611 /nfs/dbraw/zinc/32/96/11/1320329611.db2.gz OQAIENRMTTXREP-YSGRDPCXSA-N 2 2 348.450 2.337 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)(COC)CC1 ZINC001162629329 1320916194 /nfs/dbraw/zinc/91/61/94/1320916194.db2.gz WLRPGACZZAIINS-KRWDZBQOSA-N 2 2 348.491 2.083 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001166808943 1321791292 /nfs/dbraw/zinc/79/12/92/1321791292.db2.gz KXXJBJJWQYKGNE-SFHVURJKSA-N 2 2 349.519 2.082 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001166808943 1321791296 /nfs/dbraw/zinc/79/12/96/1321791296.db2.gz KXXJBJJWQYKGNE-SFHVURJKSA-N 2 2 349.519 2.082 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208083378 1324307329 /nfs/dbraw/zinc/30/73/29/1324307329.db2.gz CZWNRWSKHZDBOR-INIZCTEOSA-N 2 2 330.476 2.309 20 30 EEEDLP C#CCCC[N@H+]1CCC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273542433 1368247658 /nfs/dbraw/zinc/24/76/58/1368247658.db2.gz KSBZBCJDXILQOH-LJQANCHMSA-N 2 2 328.460 2.038 20 30 EEEDLP C#CCCC[N@@H+]1CCC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273542433 1368247662 /nfs/dbraw/zinc/24/76/62/1368247662.db2.gz KSBZBCJDXILQOH-LJQANCHMSA-N 2 2 328.460 2.038 20 30 EEEDLP C=C(Br)C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001389328928 1388049338 /nfs/dbraw/zinc/04/93/38/1388049338.db2.gz PQMARJHLUOIMRC-UHFFFAOYSA-N 2 2 346.313 2.160 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC001362246810 1373381421 /nfs/dbraw/zinc/38/14/21/1373381421.db2.gz HZIWIEUJPQFSCS-UHFFFAOYSA-N 2 2 348.878 2.310 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC001362246810 1373381428 /nfs/dbraw/zinc/38/14/28/1373381428.db2.gz HZIWIEUJPQFSCS-UHFFFAOYSA-N 2 2 348.878 2.310 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001374502365 1376882362 /nfs/dbraw/zinc/88/23/62/1376882362.db2.gz KFRJPUFKTCGIEZ-SFHVURJKSA-N 2 2 330.476 2.035 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001374502365 1376882365 /nfs/dbraw/zinc/88/23/65/1376882365.db2.gz KFRJPUFKTCGIEZ-SFHVURJKSA-N 2 2 330.476 2.035 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001377660762 1379411691 /nfs/dbraw/zinc/41/16/91/1379411691.db2.gz BMWOLSLIFMBDCS-MRXNPFEDSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001377660762 1379411697 /nfs/dbraw/zinc/41/16/97/1379411697.db2.gz BMWOLSLIFMBDCS-MRXNPFEDSA-N 2 2 327.900 2.394 20 30 EEEDLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401142286 1396977259 /nfs/dbraw/zinc/97/72/59/1396977259.db2.gz NYSFMPQFWFTQLV-STQMWFEESA-N 2 2 345.472 2.064 20 30 EEEDLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401142286 1396977268 /nfs/dbraw/zinc/97/72/68/1396977268.db2.gz NYSFMPQFWFTQLV-STQMWFEESA-N 2 2 345.472 2.064 20 30 EEEDLP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448468 761366736 /nfs/dbraw/zinc/36/67/36/761366736.db2.gz OIILAPPUDKNRHQ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448468 761366747 /nfs/dbraw/zinc/36/67/47/761366747.db2.gz OIILAPPUDKNRHQ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448468 761366757 /nfs/dbraw/zinc/36/67/57/761366757.db2.gz OIILAPPUDKNRHQ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448468 761366768 /nfs/dbraw/zinc/36/67/68/761366768.db2.gz OIILAPPUDKNRHQ-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665161 764682836 /nfs/dbraw/zinc/68/28/36/764682836.db2.gz OHIPTWNDRXSGTH-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031710939 773544635 /nfs/dbraw/zinc/54/46/35/773544635.db2.gz ANIBAYFCRUWROA-KRWDZBQOSA-N 2 2 346.500 2.042 20 30 EEEDLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031710939 773544641 /nfs/dbraw/zinc/54/46/41/773544641.db2.gz ANIBAYFCRUWROA-KRWDZBQOSA-N 2 2 346.500 2.042 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660836 774047472 /nfs/dbraw/zinc/04/74/72/774047472.db2.gz QGEXHGLASOIQJI-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660836 774047479 /nfs/dbraw/zinc/04/74/79/774047479.db2.gz QGEXHGLASOIQJI-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087430939 775410512 /nfs/dbraw/zinc/41/05/12/775410512.db2.gz QZLURSBCKJBSMG-AQNXPRMDSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087430939 775410524 /nfs/dbraw/zinc/41/05/24/775410524.db2.gz QZLURSBCKJBSMG-AQNXPRMDSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087430939 775410533 /nfs/dbraw/zinc/41/05/33/775410533.db2.gz QZLURSBCKJBSMG-AQNXPRMDSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087430939 775410542 /nfs/dbraw/zinc/41/05/42/775410542.db2.gz QZLURSBCKJBSMG-AQNXPRMDSA-N 2 2 339.483 2.078 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000981363006 777256100 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LHZKWBBAJZZIQT-CJNGLKHVSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997186531 789380065 /nfs/dbraw/zinc/38/00/65/789380065.db2.gz LHZKWBBAJZZIQT-CJNGLKHVSA-N 2 2 330.476 2.226 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945548 793043105 /nfs/dbraw/zinc/04/31/05/793043105.db2.gz DOKKQOHUTQWGDP-SJORKVTESA-N 2 2 328.460 2.170 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955757 793096816 /nfs/dbraw/zinc/09/68/16/793096816.db2.gz VRJODXLJGAOLKL-INIZCTEOSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992238596 793367824 /nfs/dbraw/zinc/36/78/24/793367824.db2.gz GCGUTQWQGKGFNQ-IIHSZXCVSA-N 2 2 328.460 2.213 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992238596 793367831 /nfs/dbraw/zinc/36/78/31/793367831.db2.gz GCGUTQWQGKGFNQ-IIHSZXCVSA-N 2 2 328.460 2.213 20 30 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FPKFWVZTICLZDM-OAHLLOKOSA-N 2 2 339.443 2.289 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001032837174 799440856 /nfs/dbraw/zinc/44/08/56/799440856.db2.gz WGNLSGKTBSSWOT-SXLOBPIMSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001032837174 799440861 /nfs/dbraw/zinc/44/08/61/799440861.db2.gz WGNLSGKTBSSWOT-SXLOBPIMSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001032837174 799440864 /nfs/dbraw/zinc/44/08/64/799440864.db2.gz WGNLSGKTBSSWOT-SXLOBPIMSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001032837174 799440866 /nfs/dbraw/zinc/44/08/66/799440866.db2.gz WGNLSGKTBSSWOT-SXLOBPIMSA-N 2 2 339.483 2.344 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001003378515 799586352 /nfs/dbraw/zinc/58/63/52/799586352.db2.gz SDQMFQPMMYJQPG-LJQANCHMSA-N 2 2 349.519 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802426009 /nfs/dbraw/zinc/42/60/09/802426009.db2.gz LMRAMOQVXLXEGZ-HNNXBMFYSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004585807 802426012 /nfs/dbraw/zinc/42/60/12/802426012.db2.gz LMRAMOQVXLXEGZ-HNNXBMFYSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001086243919 802585891 /nfs/dbraw/zinc/58/58/91/802585891.db2.gz KQBYVPKQSBWIPD-OKILXGFUSA-N 2 2 345.834 2.118 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652606 802639124 /nfs/dbraw/zinc/63/91/24/802639124.db2.gz YBADQNJSVZRDNJ-FGTMMUONSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652606 802639126 /nfs/dbraw/zinc/63/91/26/802639126.db2.gz YBADQNJSVZRDNJ-FGTMMUONSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086366922 802835629 /nfs/dbraw/zinc/83/56/29/802835629.db2.gz QKRWSVJUXWABDT-CTYIDZIISA-N 2 2 332.835 2.493 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]N3CCC(C(C)(C)C)CC3)cn2)CC1 ZINC000790180217 808491680 /nfs/dbraw/zinc/49/16/80/808491680.db2.gz CHBJPULUSDZCMR-UHFFFAOYSA-N 2 2 344.507 2.320 20 30 EEEDLP CC(C)C[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001130001577 811071118 /nfs/dbraw/zinc/07/11/18/811071118.db2.gz STDLTRPKZHTDSL-LJQANCHMSA-N 2 2 338.455 2.228 20 30 EEEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000442791862 242113357 /nfs/dbraw/zinc/11/33/57/242113357.db2.gz OMMLXXHUMBOXIK-SJLPKXTDSA-N 2 2 329.444 2.179 20 30 EEEDLP CC1CCN(C(=[NH2+])NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000122481782 463267659 /nfs/dbraw/zinc/26/76/59/463267659.db2.gz GQJJUTAQLYABJU-UHFFFAOYSA-N 2 2 330.476 2.065 20 30 EEEDLP C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000143093992 463365887 /nfs/dbraw/zinc/36/58/87/463365887.db2.gz WPRQEPJXNUIYBP-SJORKVTESA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000143093992 463365888 /nfs/dbraw/zinc/36/58/88/463365888.db2.gz WPRQEPJXNUIYBP-SJORKVTESA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1 ZINC000161751687 463454885 /nfs/dbraw/zinc/45/48/85/463454885.db2.gz INZOCJPUQVZRJI-YOEHRIQHSA-N 2 2 325.460 2.137 20 30 EEEDLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@H+]1C1CC1 ZINC000161751687 463454887 /nfs/dbraw/zinc/45/48/87/463454887.db2.gz INZOCJPUQVZRJI-YOEHRIQHSA-N 2 2 325.460 2.137 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000264429619 464322485 /nfs/dbraw/zinc/32/24/85/464322485.db2.gz ZFMYZMRKCCTIKE-UHFFFAOYSA-N 2 2 341.459 2.217 20 30 EEEDLP CCCCCCNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267472112 464933408 /nfs/dbraw/zinc/93/34/08/464933408.db2.gz VZPGBFDNQICERD-UHFFFAOYSA-N 2 2 334.464 2.082 20 30 EEEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329750303 465422131 /nfs/dbraw/zinc/42/21/31/465422131.db2.gz UXXUKGUSIZOLHW-ZIAGYGMSSA-N 2 2 342.447 2.277 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)nc[nH+]1 ZINC000329911131 465470771 /nfs/dbraw/zinc/47/07/71/465470771.db2.gz WGAJSLHRDQCNFF-QLFBSQMISA-N 2 2 346.479 2.316 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)nc[nH+]1 ZINC000329911131 465470776 /nfs/dbraw/zinc/47/07/76/465470776.db2.gz WGAJSLHRDQCNFF-QLFBSQMISA-N 2 2 346.479 2.316 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[nH+]cn1 ZINC000329911131 465470786 /nfs/dbraw/zinc/47/07/86/465470786.db2.gz WGAJSLHRDQCNFF-QLFBSQMISA-N 2 2 346.479 2.316 20 30 EEEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343313748 465503750 /nfs/dbraw/zinc/50/37/50/465503750.db2.gz KCKPYJNJDJQAPB-INIZCTEOSA-N 2 2 337.431 2.498 20 30 EEEDLP C=CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343313748 465503758 /nfs/dbraw/zinc/50/37/58/465503758.db2.gz KCKPYJNJDJQAPB-INIZCTEOSA-N 2 2 337.431 2.498 20 30 EEEDLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330144256 465546979 /nfs/dbraw/zinc/54/69/79/465546979.db2.gz ZMUIQNBFSCWHON-GJZGRUSLSA-N 2 2 347.507 2.293 20 30 EEEDLP C[NH+](C)C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330144256 465546985 /nfs/dbraw/zinc/54/69/85/465546985.db2.gz ZMUIQNBFSCWHON-GJZGRUSLSA-N 2 2 347.507 2.293 20 30 EEEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330223886 465574758 /nfs/dbraw/zinc/57/47/58/465574758.db2.gz ANCPYPMJIUHJDE-OAHLLOKOSA-N 2 2 347.507 2.437 20 30 EEEDLP C=C(C)C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000368077852 466576927 /nfs/dbraw/zinc/57/69/27/466576927.db2.gz WMHDBWAGMCQEOG-UHFFFAOYSA-N 2 2 345.487 2.237 20 30 EEEDLP C=C(C)C[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000368077852 466576934 /nfs/dbraw/zinc/57/69/34/466576934.db2.gz WMHDBWAGMCQEOG-UHFFFAOYSA-N 2 2 345.487 2.237 20 30 EEEDLP C=C(C)C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000368077852 466576939 /nfs/dbraw/zinc/57/69/39/466576939.db2.gz WMHDBWAGMCQEOG-UHFFFAOYSA-N 2 2 345.487 2.237 20 30 EEEDLP C=C(C)C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000368077852 466576946 /nfs/dbraw/zinc/57/69/46/466576946.db2.gz WMHDBWAGMCQEOG-UHFFFAOYSA-N 2 2 345.487 2.237 20 30 EEEDLP CCc1nnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1CC ZINC000370450198 466883219 /nfs/dbraw/zinc/88/32/19/466883219.db2.gz PPEYZSWAQNSFCN-AWEZNQCLSA-N 2 2 342.491 2.053 20 30 EEEDLP CCc1nnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1CC ZINC000370450198 466883222 /nfs/dbraw/zinc/88/32/22/466883222.db2.gz PPEYZSWAQNSFCN-AWEZNQCLSA-N 2 2 342.491 2.053 20 30 EEEDLP C#CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377630365 467100825 /nfs/dbraw/zinc/10/08/25/467100825.db2.gz RFICATRWFACKSE-FQEVSTJZSA-N 2 2 341.499 2.299 20 30 EEEDLP C#CCOc1ccccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377630365 467100829 /nfs/dbraw/zinc/10/08/29/467100829.db2.gz RFICATRWFACKSE-FQEVSTJZSA-N 2 2 341.499 2.299 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(Nc3nc(C#N)c(Cl)s3)CC2)CC1 ZINC000596102806 469156631 /nfs/dbraw/zinc/15/66/31/469156631.db2.gz QZVBMNBATCABOK-UHFFFAOYSA-N 2 2 339.896 2.639 20 30 EEEDLP Cc1ccc(F)c(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000755773240 577830856 /nfs/dbraw/zinc/83/08/56/577830856.db2.gz UCYQHMDPCUKKPI-UHFFFAOYSA-N 2 2 328.395 2.122 20 30 EEEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000969689205 675168682 /nfs/dbraw/zinc/16/86/82/675168682.db2.gz GYMRMWGKOKHEQV-JFIYKMOQSA-N 2 2 342.487 2.167 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001024366917 679883790 /nfs/dbraw/zinc/88/37/90/679883790.db2.gz WFHMBYHSQQNZAM-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001024366917 679883791 /nfs/dbraw/zinc/88/37/91/679883791.db2.gz WFHMBYHSQQNZAM-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024366917 679883792 /nfs/dbraw/zinc/88/37/92/679883792.db2.gz WFHMBYHSQQNZAM-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024366917 679883793 /nfs/dbraw/zinc/88/37/93/679883793.db2.gz WFHMBYHSQQNZAM-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867404 685642978 /nfs/dbraw/zinc/64/29/78/685642978.db2.gz FLXVATDKVGJQSS-HZPDHXFCSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867404 685642981 /nfs/dbraw/zinc/64/29/81/685642981.db2.gz FLXVATDKVGJQSS-HZPDHXFCSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC000992871794 683610593 /nfs/dbraw/zinc/61/05/93/683610593.db2.gz LDTSRUBDPOBZTM-BPQIPLTHSA-N 2 2 330.476 2.146 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000992871795 683610852 /nfs/dbraw/zinc/61/08/52/683610852.db2.gz LDTSRUBDPOBZTM-CGTJXYLNSA-N 2 2 330.476 2.146 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001026497104 684694917 /nfs/dbraw/zinc/69/49/17/684694917.db2.gz LJHSHYSDNUDXED-UHFFFAOYSA-N 2 2 330.476 2.355 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001026547726 684731414 /nfs/dbraw/zinc/73/14/14/684731414.db2.gz YBKRKLFZKVGUME-FAFZWHIHSA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001026547726 684731415 /nfs/dbraw/zinc/73/14/15/684731415.db2.gz YBKRKLFZKVGUME-FAFZWHIHSA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C(C)(C)C1 ZINC000977470068 692664957 /nfs/dbraw/zinc/66/49/57/692664957.db2.gz POXRHZYDFJBUOR-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C(C)(C)C1 ZINC000977470068 692664960 /nfs/dbraw/zinc/66/49/60/692664960.db2.gz POXRHZYDFJBUOR-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945093586 1193368846 /nfs/dbraw/zinc/36/88/46/1193368846.db2.gz STGVMCVGKROQIV-ZBFHGGJFSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945093586 1193368847 /nfs/dbraw/zinc/36/88/47/1193368847.db2.gz STGVMCVGKROQIV-ZBFHGGJFSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945093586 1193368850 /nfs/dbraw/zinc/36/88/50/1193368850.db2.gz STGVMCVGKROQIV-ZBFHGGJFSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945093586 1193368853 /nfs/dbraw/zinc/36/88/53/1193368853.db2.gz STGVMCVGKROQIV-ZBFHGGJFSA-N 2 2 333.501 2.119 20 30 EEEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018026180 1224228420 /nfs/dbraw/zinc/22/84/20/1224228420.db2.gz YPSGKFJGLXFWGK-CALCHBBNSA-N 2 2 328.460 2.095 20 30 EEEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018026180 1224228427 /nfs/dbraw/zinc/22/84/27/1224228427.db2.gz YPSGKFJGLXFWGK-CALCHBBNSA-N 2 2 328.460 2.095 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034250125 1195984144 /nfs/dbraw/zinc/98/41/44/1195984144.db2.gz PJABDLHSKDOARG-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034250125 1195984145 /nfs/dbraw/zinc/98/41/45/1195984145.db2.gz PJABDLHSKDOARG-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034250125 1195984148 /nfs/dbraw/zinc/98/41/48/1195984148.db2.gz PJABDLHSKDOARG-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034250125 1195984150 /nfs/dbraw/zinc/98/41/50/1195984150.db2.gz PJABDLHSKDOARG-PMACEKPBSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014776922 1224334157 /nfs/dbraw/zinc/33/41/57/1224334157.db2.gz SDDNFRWYLUHQDO-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014776922 1224334166 /nfs/dbraw/zinc/33/41/66/1224334166.db2.gz SDDNFRWYLUHQDO-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014776922 1224334175 /nfs/dbraw/zinc/33/41/75/1224334175.db2.gz SDDNFRWYLUHQDO-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014776922 1224334185 /nfs/dbraw/zinc/33/41/85/1224334185.db2.gz SDDNFRWYLUHQDO-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133288514 1200698385 /nfs/dbraw/zinc/69/83/85/1200698385.db2.gz IVLZPYGBADCMKK-UKRRQHHQSA-N 2 2 338.883 2.179 20 30 EEEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cccc(C#N)n3)CC2)C1 ZINC001275605461 1205440749 /nfs/dbraw/zinc/44/07/49/1205440749.db2.gz LBZZCLDXNBSXNW-UHFFFAOYSA-N 2 2 341.503 2.193 20 30 EEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447703 1205767921 /nfs/dbraw/zinc/76/79/21/1205767921.db2.gz IZVCFRYEVPUVTJ-IKGGRYGDSA-N 2 2 328.460 2.060 20 30 EEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447703 1205767923 /nfs/dbraw/zinc/76/79/23/1205767923.db2.gz IZVCFRYEVPUVTJ-IKGGRYGDSA-N 2 2 328.460 2.060 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000957561350 1215212045 /nfs/dbraw/zinc/21/20/45/1215212045.db2.gz MQIBBLWAXIZITP-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000957561350 1215212048 /nfs/dbraw/zinc/21/20/48/1215212048.db2.gz MQIBBLWAXIZITP-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961245227 1217106728 /nfs/dbraw/zinc/10/67/28/1217106728.db2.gz CKHWCEQRWOHGPO-HUUCEWRRSA-N 2 2 336.867 2.265 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961245227 1217106729 /nfs/dbraw/zinc/10/67/29/1217106729.db2.gz CKHWCEQRWOHGPO-HUUCEWRRSA-N 2 2 336.867 2.265 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262854 1217117033 /nfs/dbraw/zinc/11/70/33/1217117033.db2.gz QNXBATGIYYKYEF-IRXDYDNUSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262854 1217117034 /nfs/dbraw/zinc/11/70/34/1217117034.db2.gz QNXBATGIYYKYEF-IRXDYDNUSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000961430258 1217186822 /nfs/dbraw/zinc/18/68/22/1217186822.db2.gz BGOOJSIBGJVXJP-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000961430258 1217186824 /nfs/dbraw/zinc/18/68/24/1217186824.db2.gz BGOOJSIBGJVXJP-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963322271 1217515793 /nfs/dbraw/zinc/51/57/93/1217515793.db2.gz GWJIAABGIKJNFR-MSOLQXFVSA-N 2 2 342.487 2.263 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963322271 1217515797 /nfs/dbraw/zinc/51/57/97/1217515797.db2.gz GWJIAABGIKJNFR-MSOLQXFVSA-N 2 2 342.487 2.263 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963438502 1217630223 /nfs/dbraw/zinc/63/02/23/1217630223.db2.gz DKBMJPKQYQPGNI-HOTGVXAUSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963438502 1217630225 /nfs/dbraw/zinc/63/02/25/1217630225.db2.gz DKBMJPKQYQPGNI-HOTGVXAUSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000963831043 1218062326 /nfs/dbraw/zinc/06/23/26/1218062326.db2.gz ZFYCZAYPLKQGAY-UHFFFAOYSA-N 2 2 342.487 2.355 20 30 EEEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1CC ZINC001037959116 1220746142 /nfs/dbraw/zinc/74/61/42/1220746142.db2.gz LBTVPFBZIOHDLC-LPHOPBHVSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001039377694 1230563333 /nfs/dbraw/zinc/56/33/33/1230563333.db2.gz MAVITCRALAQOHL-MSOLQXFVSA-N 2 2 342.487 2.403 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001039377694 1230563337 /nfs/dbraw/zinc/56/33/37/1230563337.db2.gz MAVITCRALAQOHL-MSOLQXFVSA-N 2 2 342.487 2.403 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001039396224 1230578773 /nfs/dbraw/zinc/57/87/73/1230578773.db2.gz GSFHQCTZNACGSN-BBWFWOEESA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001039396224 1230578776 /nfs/dbraw/zinc/57/87/76/1230578776.db2.gz GSFHQCTZNACGSN-BBWFWOEESA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001040929627 1231405631 /nfs/dbraw/zinc/40/56/31/1231405631.db2.gz SLHUFYHPTGJPKA-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041397968 1231531068 /nfs/dbraw/zinc/53/10/68/1231531068.db2.gz CVJXYJIFNJTKMJ-IBGZPJMESA-N 2 2 330.476 2.427 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041397968 1231531069 /nfs/dbraw/zinc/53/10/69/1231531069.db2.gz CVJXYJIFNJTKMJ-IBGZPJMESA-N 2 2 330.476 2.427 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041664629 1231642769 /nfs/dbraw/zinc/64/27/69/1231642769.db2.gz ONWHPRUNDWMNBP-KXBFYZLASA-N 2 2 328.460 2.330 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041664629 1231642770 /nfs/dbraw/zinc/64/27/70/1231642770.db2.gz ONWHPRUNDWMNBP-KXBFYZLASA-N 2 2 328.460 2.330 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042092408 1231882823 /nfs/dbraw/zinc/88/28/23/1231882823.db2.gz GORMLEMQHUFZEC-CABCVRRESA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042092408 1231882825 /nfs/dbraw/zinc/88/28/25/1231882825.db2.gz GORMLEMQHUFZEC-CABCVRRESA-N 2 2 325.884 2.146 20 30 EEEDLP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001045442723 1233748090 /nfs/dbraw/zinc/74/80/90/1233748090.db2.gz NRAIUYLSHKMEKL-IAGOWNOFSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945538 1234207221 /nfs/dbraw/zinc/20/72/21/1234207221.db2.gz VJZKILGPWRFNPU-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945538 1234207224 /nfs/dbraw/zinc/20/72/24/1234207224.db2.gz VJZKILGPWRFNPU-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945538 1234207226 /nfs/dbraw/zinc/20/72/26/1234207226.db2.gz VJZKILGPWRFNPU-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945538 1234207227 /nfs/dbraw/zinc/20/72/27/1234207227.db2.gz VJZKILGPWRFNPU-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC#Cc2ccccc2)C1 ZINC001046557729 1234937036 /nfs/dbraw/zinc/93/70/36/1234937036.db2.gz OHOJCDURBGGUMI-FPOVZHCZSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC#Cc2ccccc2)C1 ZINC001046557729 1234937039 /nfs/dbraw/zinc/93/70/39/1234937039.db2.gz OHOJCDURBGGUMI-FPOVZHCZSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046557729 1234937042 /nfs/dbraw/zinc/93/70/42/1234937042.db2.gz OHOJCDURBGGUMI-FPOVZHCZSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046557729 1234937045 /nfs/dbraw/zinc/93/70/45/1234937045.db2.gz OHOJCDURBGGUMI-FPOVZHCZSA-N 2 2 339.483 2.103 20 30 EEEDLP C#CC[N@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051292528 1245490658 /nfs/dbraw/zinc/49/06/58/1245490658.db2.gz BFXJSPIWFFGSRN-UHFFFAOYSA-N 2 2 344.418 2.484 20 30 EEEDLP C#CC[N@@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051292528 1245490664 /nfs/dbraw/zinc/49/06/64/1245490664.db2.gz BFXJSPIWFFGSRN-UHFFFAOYSA-N 2 2 344.418 2.484 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098138 1245898379 /nfs/dbraw/zinc/89/83/79/1245898379.db2.gz LEMPUHQRAFTYDB-FUHWJXTLSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098138 1245898386 /nfs/dbraw/zinc/89/83/86/1245898386.db2.gz LEMPUHQRAFTYDB-FUHWJXTLSA-N 2 2 328.460 2.069 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 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C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449234 1283057153 /nfs/dbraw/zinc/05/71/53/1283057153.db2.gz RAPWAKWLQZWKHH-KRWDZBQOSA-N 2 2 335.879 2.404 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449234 1283057165 /nfs/dbraw/zinc/05/71/65/1283057165.db2.gz RAPWAKWLQZWKHH-KRWDZBQOSA-N 2 2 335.879 2.404 20 30 EEEDLP C=C(C)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1OC ZINC001198828442 1285360687 /nfs/dbraw/zinc/36/06/87/1285360687.db2.gz XVANUKIDTLCPBT-KRWDZBQOSA-N 2 2 342.443 2.305 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001223024159 1299955898 /nfs/dbraw/zinc/95/58/98/1299955898.db2.gz UAMOGJAWSMNZMD-CABCVRRESA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001223024159 1299955901 /nfs/dbraw/zinc/95/59/01/1299955901.db2.gz UAMOGJAWSMNZMD-CABCVRRESA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 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C=CCC[N@@H+](CCCNC(=O)CCc1c[nH+]c[nH]1)Cc1cccnc1 ZINC001230778502 1303450362 /nfs/dbraw/zinc/45/03/62/1303450362.db2.gz QZOGTCKPTRHSHL-UHFFFAOYSA-N 2 2 341.459 2.322 20 30 EEEDLP C=CCCC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccnc1 ZINC001230859736 1303506017 /nfs/dbraw/zinc/50/60/17/1303506017.db2.gz NHVKXHSMTMUJDI-UHFFFAOYSA-N 2 2 341.459 2.322 20 30 EEEDLP C=CCCC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccnc1 ZINC001230859736 1303506021 /nfs/dbraw/zinc/50/60/21/1303506021.db2.gz NHVKXHSMTMUJDI-UHFFFAOYSA-N 2 2 341.459 2.322 20 30 EEEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001202928176 1314736631 /nfs/dbraw/zinc/73/66/31/1314736631.db2.gz DGVLJKHVHJERTR-IAGOWNOFSA-N 2 2 336.439 2.297 20 30 EEEDLP C=CCCC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001151406461 1316524246 /nfs/dbraw/zinc/52/42/46/1316524246.db2.gz JTIAKWNJFWELEV-UHFFFAOYSA-N 2 2 348.491 2.214 20 30 EEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001252472879 1317611241 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IPRZMYRJBPWCCE-BRWVUGGUSA-N 2 2 346.475 2.029 20 30 EEEDLP C=CC[NH+]1CCN(C(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)CC1 ZINC001160432511 1320161733 /nfs/dbraw/zinc/16/17/33/1320161733.db2.gz YOOMKNKBXYGQNY-LJQANCHMSA-N 2 2 337.467 2.430 20 30 EEEDLP N#CCc1cc[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163881334 1321238732 /nfs/dbraw/zinc/23/87/32/1321238732.db2.gz BPZKFXADLUNTPY-UHFFFAOYSA-N 2 2 328.460 2.476 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCCc3ccncc3)cc2F)CC1 ZINC001321670913 1333140815 /nfs/dbraw/zinc/14/08/15/1333140815.db2.gz YHZJLFZVWMKKHY-UHFFFAOYSA-N 2 2 341.434 2.139 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)C2=O)cc1 ZINC001580067208 1344461803 /nfs/dbraw/zinc/46/18/03/1344461803.db2.gz KPDGEHRAXQBGGO-QRQLOZEOSA-N 2 2 338.455 2.128 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)C2=O)cc1 ZINC001580067208 1344461809 /nfs/dbraw/zinc/46/18/09/1344461809.db2.gz KPDGEHRAXQBGGO-QRQLOZEOSA-N 2 2 338.455 2.128 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132523036 1367755893 /nfs/dbraw/zinc/75/58/93/1367755893.db2.gz WRKBQVBHPSZJOC-HUUCEWRRSA-N 2 2 348.516 2.429 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132523036 1367755906 /nfs/dbraw/zinc/75/59/06/1367755906.db2.gz WRKBQVBHPSZJOC-HUUCEWRRSA-N 2 2 348.516 2.429 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132523036 1367755913 /nfs/dbraw/zinc/75/59/13/1367755913.db2.gz WRKBQVBHPSZJOC-HUUCEWRRSA-N 2 2 348.516 2.429 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132523036 1367755923 /nfs/dbraw/zinc/75/59/23/1367755923.db2.gz WRKBQVBHPSZJOC-HUUCEWRRSA-N 2 2 348.516 2.429 20 30 EEEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001112418363 1371436070 /nfs/dbraw/zinc/43/60/70/1371436070.db2.gz WGQSRGWMLPVOSS-BJLQDIEVSA-N 2 2 342.487 2.322 20 30 EEEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001112428502 1371440565 /nfs/dbraw/zinc/44/05/65/1371440565.db2.gz KDPWWBWKLDLQBT-JXFKEZNVSA-N 2 2 336.439 2.418 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001390158702 1388470309 /nfs/dbraw/zinc/47/03/09/1388470309.db2.gz IKNQAEMGEHKMSJ-CABCVRRESA-N 2 2 338.883 2.322 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001390158702 1388470313 /nfs/dbraw/zinc/47/03/13/1388470313.db2.gz IKNQAEMGEHKMSJ-CABCVRRESA-N 2 2 338.883 2.322 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1F ZINC001375479242 1377772325 /nfs/dbraw/zinc/77/23/25/1377772325.db2.gz ZDMQGPMFMUCWOU-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1F ZINC001375479242 1377772327 /nfs/dbraw/zinc/77/23/27/1377772327.db2.gz ZDMQGPMFMUCWOU-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001375479242 1377772330 /nfs/dbraw/zinc/77/23/30/1377772330.db2.gz ZDMQGPMFMUCWOU-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001375479242 1377772333 /nfs/dbraw/zinc/77/23/33/1377772333.db2.gz ZDMQGPMFMUCWOU-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP C=CCC[NH2+]CC1CC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001755217208 1407229128 /nfs/dbraw/zinc/22/91/28/1407229128.db2.gz FFTUQSBLLXLSKQ-UHFFFAOYSA-N 2 2 326.444 2.246 20 30 EEEDLP C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001755269301 1407279348 /nfs/dbraw/zinc/27/93/48/1407279348.db2.gz OWWLQHPEHGMYRF-CABCVRRESA-N 2 2 344.846 2.071 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC001755707346 1407760046 /nfs/dbraw/zinc/76/00/46/1407760046.db2.gz SAUYVUBUOSVBKB-RYQLBKOJSA-N 2 2 343.471 2.426 20 30 EEEDLP COC(=O)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001771668956 1409857374 /nfs/dbraw/zinc/85/73/74/1409857374.db2.gz IZLDIBHBRZGKLS-RBUKOAKNSA-N 2 2 341.455 2.454 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114957856 759668191 /nfs/dbraw/zinc/66/81/91/759668191.db2.gz XFENKNGXLWCCGV-DZJNRPSUSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114957856 759668193 /nfs/dbraw/zinc/66/81/93/759668193.db2.gz XFENKNGXLWCCGV-DZJNRPSUSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114957856 759668199 /nfs/dbraw/zinc/66/81/99/759668199.db2.gz XFENKNGXLWCCGV-DZJNRPSUSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114957856 759668203 /nfs/dbraw/zinc/66/82/03/759668203.db2.gz XFENKNGXLWCCGV-DZJNRPSUSA-N 2 2 330.476 2.381 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458536 760844053 /nfs/dbraw/zinc/84/40/53/760844053.db2.gz JFKZXZGNEXWOOV-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458536 760844065 /nfs/dbraw/zinc/84/40/65/760844065.db2.gz JFKZXZGNEXWOOV-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001167720392 765052924 /nfs/dbraw/zinc/05/29/24/765052924.db2.gz VAWATSAASXNIGA-UHFFFAOYSA-N 2 2 339.443 2.333 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000979975530 773651393 /nfs/dbraw/zinc/65/13/93/773651393.db2.gz BHGZKLOGJZANLV-USXIJHARSA-N 2 2 329.444 2.035 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000979975530 773651397 /nfs/dbraw/zinc/65/13/97/773651397.db2.gz BHGZKLOGJZANLV-USXIJHARSA-N 2 2 329.444 2.035 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980143831 773940597 /nfs/dbraw/zinc/94/05/97/773940597.db2.gz PARPWRBULUDRQQ-GVDBMIGSSA-N 2 2 336.439 2.188 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980143831 773940605 /nfs/dbraw/zinc/94/06/05/773940605.db2.gz PARPWRBULUDRQQ-GVDBMIGSSA-N 2 2 336.439 2.188 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC000981458030 777445334 /nfs/dbraw/zinc/44/53/34/777445334.db2.gz VCMMRBWJNKSNBS-FQEVSTJZSA-N 2 2 339.483 2.057 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC000981458030 777445341 /nfs/dbraw/zinc/44/53/41/777445341.db2.gz VCMMRBWJNKSNBS-FQEVSTJZSA-N 2 2 339.483 2.057 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981458030 777445348 /nfs/dbraw/zinc/44/53/48/777445348.db2.gz VCMMRBWJNKSNBS-FQEVSTJZSA-N 2 2 339.483 2.057 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981458030 777445353 /nfs/dbraw/zinc/44/53/53/777445353.db2.gz VCMMRBWJNKSNBS-FQEVSTJZSA-N 2 2 339.483 2.057 20 30 EEEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089837248 777483480 /nfs/dbraw/zinc/48/34/80/777483480.db2.gz ACRACCCLMLJCBU-MLHJIOFPSA-N 2 2 348.450 2.140 20 30 EEEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089837248 777483486 /nfs/dbraw/zinc/48/34/86/777483486.db2.gz ACRACCCLMLJCBU-MLHJIOFPSA-N 2 2 348.450 2.140 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087444622 780334795 /nfs/dbraw/zinc/33/47/95/780334795.db2.gz PINQUUOKBVJZAY-RTBURBONSA-N 2 2 338.455 2.434 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087444622 780334803 /nfs/dbraw/zinc/33/48/03/780334803.db2.gz PINQUUOKBVJZAY-RTBURBONSA-N 2 2 338.455 2.434 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087459914 780926690 /nfs/dbraw/zinc/92/66/90/780926690.db2.gz FDCNWZFOVHRNMO-RTBURBONSA-N 2 2 345.462 2.382 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087459914 780926695 /nfs/dbraw/zinc/92/66/95/780926695.db2.gz FDCNWZFOVHRNMO-RTBURBONSA-N 2 2 345.462 2.382 20 30 EEEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135588630 784059575 /nfs/dbraw/zinc/05/95/75/784059575.db2.gz AVXJFXNTMBASKD-DLBZAZTESA-N 2 2 337.508 2.080 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1(C)C ZINC000996503676 786462990 /nfs/dbraw/zinc/46/29/90/786462990.db2.gz BNAJTLQGTVBODO-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001111551240 805925470 /nfs/dbraw/zinc/92/54/70/805925470.db2.gz VKCNVPAPKZTRRO-MRXNPFEDSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991475105 789023468 /nfs/dbraw/zinc/02/34/68/789023468.db2.gz SEDDFZYVPXPUTH-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991475105 789023480 /nfs/dbraw/zinc/02/34/80/789023480.db2.gz SEDDFZYVPXPUTH-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168378727 789145234 /nfs/dbraw/zinc/14/52/34/789145234.db2.gz RMLRMDGYNBNLQK-FQEVSTJZSA-N 2 2 331.504 2.361 20 30 EEEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168378727 789145241 /nfs/dbraw/zinc/14/52/41/789145241.db2.gz RMLRMDGYNBNLQK-FQEVSTJZSA-N 2 2 331.504 2.361 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001148850957 792745731 /nfs/dbraw/zinc/74/57/31/792745731.db2.gz NDTIJMBOLMEOIA-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001148850957 792745736 /nfs/dbraw/zinc/74/57/36/792745736.db2.gz NDTIJMBOLMEOIA-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001091800960 793272510 /nfs/dbraw/zinc/27/25/10/793272510.db2.gz VVFPBPVCXGWRLS-YRNRMSPPSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001091800960 793272517 /nfs/dbraw/zinc/27/25/17/793272517.db2.gz VVFPBPVCXGWRLS-YRNRMSPPSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001091800960 793272525 /nfs/dbraw/zinc/27/25/25/793272525.db2.gz VVFPBPVCXGWRLS-YRNRMSPPSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001091800960 793272529 /nfs/dbraw/zinc/27/25/29/793272529.db2.gz VVFPBPVCXGWRLS-YRNRMSPPSA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091876002 793377406 /nfs/dbraw/zinc/37/74/06/793377406.db2.gz NBQPMNCAYHHCEN-APWZRJJASA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091876002 793377413 /nfs/dbraw/zinc/37/74/13/793377413.db2.gz NBQPMNCAYHHCEN-APWZRJJASA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092620823 794190823 /nfs/dbraw/zinc/19/08/23/794190823.db2.gz CIUMEPMHQRILLG-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092620823 794190825 /nfs/dbraw/zinc/19/08/25/794190825.db2.gz CIUMEPMHQRILLG-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=CCC[NH+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092620823 794190829 /nfs/dbraw/zinc/19/08/29/794190829.db2.gz CIUMEPMHQRILLG-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=CCC[NH+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092620823 794190832 /nfs/dbraw/zinc/19/08/32/794190832.db2.gz CIUMEPMHQRILLG-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342896 795423737 /nfs/dbraw/zinc/42/37/37/795423737.db2.gz HXBLIEJUIRAJSS-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342896 795423738 /nfs/dbraw/zinc/42/37/38/795423738.db2.gz HXBLIEJUIRAJSS-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017699 795488439 /nfs/dbraw/zinc/48/84/39/795488439.db2.gz SMGRLIGTYMIJAP-FVQBIDKESA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080017699 795488441 /nfs/dbraw/zinc/48/84/41/795488441.db2.gz SMGRLIGTYMIJAP-FVQBIDKESA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017699 795488446 /nfs/dbraw/zinc/48/84/46/795488446.db2.gz SMGRLIGTYMIJAP-FVQBIDKESA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017699 795488450 /nfs/dbraw/zinc/48/84/50/795488450.db2.gz SMGRLIGTYMIJAP-FVQBIDKESA-N 2 2 327.900 2.296 20 30 EEEDLP CC#CC[NH+]1CCC(C2(NC(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC001000209367 795527581 /nfs/dbraw/zinc/52/75/81/795527581.db2.gz KMHVCTBQDAWYJW-UHFFFAOYSA-N 2 2 336.439 2.332 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001080767847 796379905 /nfs/dbraw/zinc/37/99/05/796379905.db2.gz XVEMODOWQWCIQY-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001080767847 796379911 /nfs/dbraw/zinc/37/99/11/796379911.db2.gz XVEMODOWQWCIQY-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C23CCC3)c1 ZINC001078761893 796986203 /nfs/dbraw/zinc/98/62/03/796986203.db2.gz SCVTUJRZMGSTQF-IRXDYDNUSA-N 2 2 349.438 2.041 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638526 798174027 /nfs/dbraw/zinc/17/40/27/798174027.db2.gz QVABADVWZVJDRD-JKSUJKDBSA-N 2 2 336.480 2.056 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638526 798174031 /nfs/dbraw/zinc/17/40/31/798174031.db2.gz QVABADVWZVJDRD-JKSUJKDBSA-N 2 2 336.480 2.056 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001177352801 798904298 /nfs/dbraw/zinc/90/42/98/798904298.db2.gz MGAFTCPMZHPPCT-SFHVURJKSA-N 2 2 342.487 2.077 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001032837143 799441100 /nfs/dbraw/zinc/44/11/00/799441100.db2.gz MYASNDRBOFMJQM-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001032837143 799441105 /nfs/dbraw/zinc/44/11/05/799441105.db2.gz MYASNDRBOFMJQM-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001032837143 799441108 /nfs/dbraw/zinc/44/11/08/799441108.db2.gz MYASNDRBOFMJQM-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001032837143 799441112 /nfs/dbraw/zinc/44/11/12/799441112.db2.gz MYASNDRBOFMJQM-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](CC)[NH+](CC)CC)c2C1 ZINC001128488442 800584890 /nfs/dbraw/zinc/58/48/90/800584890.db2.gz BLUKNIGRPZNOPG-KRWDZBQOSA-N 2 2 347.507 2.011 20 30 EEEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](CC)[NH+](CC)CC)c2C1 ZINC001128488442 800584892 /nfs/dbraw/zinc/58/48/92/800584892.db2.gz BLUKNIGRPZNOPG-KRWDZBQOSA-N 2 2 347.507 2.011 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855292 801372815 /nfs/dbraw/zinc/37/28/15/801372815.db2.gz HARXOFCBYBQVAW-PBFPGSCMSA-N 2 2 338.883 2.415 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855292 801372823 /nfs/dbraw/zinc/37/28/23/801372823.db2.gz HARXOFCBYBQVAW-PBFPGSCMSA-N 2 2 338.883 2.415 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001183151704 801487596 /nfs/dbraw/zinc/48/75/96/801487596.db2.gz FEZKYGUXXMHFQL-DNVCBOLYSA-N 2 2 339.443 2.141 20 30 EEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001184438527 802018758 /nfs/dbraw/zinc/01/87/58/802018758.db2.gz ZCKBTTYUGKQQSB-JKSUJKDBSA-N 2 2 330.476 2.022 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001184435543 802032954 /nfs/dbraw/zinc/03/29/54/802032954.db2.gz DFSKWMZLJOVCCH-IRXDYDNUSA-N 2 2 344.503 2.412 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004475947 802176092 /nfs/dbraw/zinc/17/60/92/802176092.db2.gz VWDGFHCTCCZAOD-HKUYNNGSSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004475947 802176094 /nfs/dbraw/zinc/17/60/94/802176094.db2.gz VWDGFHCTCCZAOD-HKUYNNGSSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004549825 802353126 /nfs/dbraw/zinc/35/31/26/802353126.db2.gz BJFGYYGCPLXSNJ-KURKYZTESA-N 2 2 342.487 2.413 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004549825 802353131 /nfs/dbraw/zinc/35/31/31/802353131.db2.gz BJFGYYGCPLXSNJ-KURKYZTESA-N 2 2 342.487 2.413 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144249 802366233 /nfs/dbraw/zinc/36/62/33/802366233.db2.gz ULRYCBVPSSRAED-HZPDHXFCSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144249 802366239 /nfs/dbraw/zinc/36/62/39/802366239.db2.gz ULRYCBVPSSRAED-HZPDHXFCSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144249 802366245 /nfs/dbraw/zinc/36/62/45/802366245.db2.gz ULRYCBVPSSRAED-HZPDHXFCSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144249 802366251 /nfs/dbraw/zinc/36/62/51/802366251.db2.gz ULRYCBVPSSRAED-HZPDHXFCSA-N 2 2 327.900 2.250 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609715 802477170 /nfs/dbraw/zinc/47/71/70/802477170.db2.gz JGDILNYJOVRTCI-GOSISDBHSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609715 802477176 /nfs/dbraw/zinc/47/71/76/802477176.db2.gz JGDILNYJOVRTCI-GOSISDBHSA-N 2 2 330.476 2.242 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033199377 803063916 /nfs/dbraw/zinc/06/39/16/803063916.db2.gz RTIFBPYJMZIYBH-UXHICEINSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033199377 803063921 /nfs/dbraw/zinc/06/39/21/803063921.db2.gz RTIFBPYJMZIYBH-UXHICEINSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199377 803063926 /nfs/dbraw/zinc/06/39/26/803063926.db2.gz RTIFBPYJMZIYBH-UXHICEINSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199377 803063932 /nfs/dbraw/zinc/06/39/32/803063932.db2.gz RTIFBPYJMZIYBH-UXHICEINSA-N 2 2 339.483 2.055 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001109463857 805504270 /nfs/dbraw/zinc/50/42/70/805504270.db2.gz AHUUDKLRZGYUAR-NCOADZHNSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001109463857 805504276 /nfs/dbraw/zinc/50/42/76/805504276.db2.gz AHUUDKLRZGYUAR-NCOADZHNSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437751191 1090316874 /nfs/dbraw/zinc/31/68/74/1090316874.db2.gz ISPGTABKNIMAAG-CQSZACIVSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437751191 1090316879 /nfs/dbraw/zinc/31/68/79/1090316879.db2.gz ISPGTABKNIMAAG-CQSZACIVSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001437751191 1090316886 /nfs/dbraw/zinc/31/68/86/1090316886.db2.gz ISPGTABKNIMAAG-CQSZACIVSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001437751191 1090316891 /nfs/dbraw/zinc/31/68/91/1090316891.db2.gz ISPGTABKNIMAAG-CQSZACIVSA-N 2 2 346.313 2.208 20 30 EEEDLP NC(=[NH+]OCCC1OCCCO1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000267930783 237514050 /nfs/dbraw/zinc/51/40/50/237514050.db2.gz VNXDRYKHYQQZCD-UHFFFAOYSA-N 2 2 347.459 2.463 20 30 EEEDLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000120043945 143623129 /nfs/dbraw/zinc/62/31/29/143623129.db2.gz LULQGSBIHVIOJR-UHFFFAOYSA-N 2 2 349.438 2.413 20 30 EEEDLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000278907449 269250546 /nfs/dbraw/zinc/25/05/46/269250546.db2.gz VOBPJBIXTBHLFI-WOJBJXKFSA-N 2 2 343.471 2.306 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000120340336 462988724 /nfs/dbraw/zinc/98/87/24/462988724.db2.gz IMYAQOJBMVEIFV-QGZVFWFLSA-N 2 2 343.475 2.000 20 30 EEEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NCc1c(C)noc1C ZINC000156500003 463032343 /nfs/dbraw/zinc/03/23/43/463032343.db2.gz VYCMFWHMCAXVOL-UHFFFAOYSA-N 2 2 340.431 2.315 20 30 EEEDLP C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540720 463038296 /nfs/dbraw/zinc/03/82/96/463038296.db2.gz NSGHDBRRAFADCN-HOTGVXAUSA-N 2 2 329.448 2.109 20 30 EEEDLP C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540720 463038302 /nfs/dbraw/zinc/03/83/02/463038302.db2.gz NSGHDBRRAFADCN-HOTGVXAUSA-N 2 2 329.448 2.109 20 30 EEEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261659895 463818938 /nfs/dbraw/zinc/81/89/38/463818938.db2.gz FUVPIFLUHMMNNW-GVDBMIGSSA-N 2 2 330.476 2.301 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140361 463887372 /nfs/dbraw/zinc/88/73/72/463887372.db2.gz IYWMPTGHDVJVRT-PKOBYXMFSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140361 463887376 /nfs/dbraw/zinc/88/73/76/463887376.db2.gz IYWMPTGHDVJVRT-PKOBYXMFSA-N 2 2 340.471 2.470 20 30 EEEDLP [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCOCC1 ZINC000264070915 464279398 /nfs/dbraw/zinc/27/93/98/464279398.db2.gz DCKIMMSWDDUYJJ-INIZCTEOSA-N 2 2 336.867 2.124 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918453 464413157 /nfs/dbraw/zinc/41/31/57/464413157.db2.gz ZLAWUFUZUUMXDR-CRAIPNDOSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918453 464413164 /nfs/dbraw/zinc/41/31/64/464413164.db2.gz ZLAWUFUZUUMXDR-CRAIPNDOSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990877 464439256 /nfs/dbraw/zinc/43/92/56/464439256.db2.gz ZDWKXVDTKHYXOS-RDTXWAMCSA-N 2 2 346.450 2.291 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990877 464439262 /nfs/dbraw/zinc/43/92/62/464439262.db2.gz ZDWKXVDTKHYXOS-RDTXWAMCSA-N 2 2 346.450 2.291 20 30 EEEDLP CC(C)(C#N)CCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000282073333 464689952 /nfs/dbraw/zinc/68/99/52/464689952.db2.gz ZCVXEPOUEVOOTH-UHFFFAOYSA-N 2 2 344.459 2.220 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247983918 464720740 /nfs/dbraw/zinc/72/07/40/464720740.db2.gz IQSLBKTXUHBIHX-IHPCNDPISA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247983918 464720746 /nfs/dbraw/zinc/72/07/46/464720746.db2.gz IQSLBKTXUHBIHX-IHPCNDPISA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247983918 464720750 /nfs/dbraw/zinc/72/07/50/464720750.db2.gz IQSLBKTXUHBIHX-IHPCNDPISA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247983918 464720755 /nfs/dbraw/zinc/72/07/55/464720755.db2.gz IQSLBKTXUHBIHX-IHPCNDPISA-N 2 2 339.483 2.111 20 30 EEEDLP C[C@@H]1CCC[C@@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267038681 464912162 /nfs/dbraw/zinc/91/21/62/464912162.db2.gz YFIOSWBLNMHWLX-HUUCEWRRSA-N 2 2 346.475 2.175 20 30 EEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1n1cc[nH+]c1 ZINC000329971295 465491688 /nfs/dbraw/zinc/49/16/88/465491688.db2.gz XPWAYFSMNMVSHJ-VQHPVUNQSA-N 2 2 331.464 2.307 20 30 EEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1n1cc[nH+]c1 ZINC000329971295 465491692 /nfs/dbraw/zinc/49/16/92/465491692.db2.gz XPWAYFSMNMVSHJ-VQHPVUNQSA-N 2 2 331.464 2.307 20 30 EEEDLP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330312467 465608292 /nfs/dbraw/zinc/60/82/92/465608292.db2.gz OIYCASGGWAFLSM-OAHLLOKOSA-N 2 2 332.448 2.190 20 30 EEEDLP CC(=O)c1ccc(C#N)cc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000347401534 466613272 /nfs/dbraw/zinc/61/32/72/466613272.db2.gz CSVJEODURNTKSL-OAHLLOKOSA-N 2 2 340.471 2.366 20 30 EEEDLP CC(=O)c1ccc(C#N)cc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000347401534 466613276 /nfs/dbraw/zinc/61/32/76/466613276.db2.gz CSVJEODURNTKSL-OAHLLOKOSA-N 2 2 340.471 2.366 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370150614 466778079 /nfs/dbraw/zinc/77/80/79/466778079.db2.gz SDQOUDWHDOFEJT-QFBILLFUSA-N 2 2 342.487 2.025 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370150614 466778086 /nfs/dbraw/zinc/77/80/86/466778086.db2.gz SDQOUDWHDOFEJT-QFBILLFUSA-N 2 2 342.487 2.025 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516935158 468056986 /nfs/dbraw/zinc/05/69/86/468056986.db2.gz MGEGUFGXGKIQFE-QZTJIDSGSA-N 2 2 341.455 2.378 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516935158 468056988 /nfs/dbraw/zinc/05/69/88/468056988.db2.gz MGEGUFGXGKIQFE-QZTJIDSGSA-N 2 2 341.455 2.378 20 30 EEEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000489432213 468136383 /nfs/dbraw/zinc/13/63/83/468136383.db2.gz JDIPFCVBMBIGNI-INIZCTEOSA-N 2 2 333.501 2.433 20 30 EEEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000489432213 468136385 /nfs/dbraw/zinc/13/63/85/468136385.db2.gz JDIPFCVBMBIGNI-INIZCTEOSA-N 2 2 333.501 2.433 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(OC(F)F)c1 ZINC000584788099 468937091 /nfs/dbraw/zinc/93/70/91/468937091.db2.gz JOMVQFXDHQIEGE-UHFFFAOYSA-N 2 2 333.342 2.205 20 30 EEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000562478099 468965597 /nfs/dbraw/zinc/96/55/97/468965597.db2.gz VHVUBVFWZAJYIM-INIZCTEOSA-N 2 2 329.444 2.122 20 30 EEEDLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000610830431 469082182 /nfs/dbraw/zinc/08/21/82/469082182.db2.gz SIGKNIGBPOGYHV-QGZVFWFLSA-N 2 2 342.487 2.005 20 30 EEEDLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000610830431 469082187 /nfs/dbraw/zinc/08/21/87/469082187.db2.gz SIGKNIGBPOGYHV-QGZVFWFLSA-N 2 2 342.487 2.005 20 30 EEEDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426505 469392924 /nfs/dbraw/zinc/39/29/24/469392924.db2.gz AEMAOBCXELGSJN-FXAWDEMLSA-N 2 2 342.487 2.005 20 30 EEEDLP [NH3+]C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1C(F)(F)F ZINC000629565967 469581444 /nfs/dbraw/zinc/58/14/44/469581444.db2.gz XLXBPKWMMYNYFU-BDAKNGLRSA-N 2 2 340.283 2.363 20 30 EEEDLP [NH3+]C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1C(F)(F)F ZINC000629565967 469581448 /nfs/dbraw/zinc/58/14/48/469581448.db2.gz XLXBPKWMMYNYFU-BDAKNGLRSA-N 2 2 340.283 2.363 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000644549123 470979369 /nfs/dbraw/zinc/97/93/69/470979369.db2.gz XRGLAYKUYMDLNM-GOSISDBHSA-N 2 2 342.487 2.254 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000644549123 470979372 /nfs/dbraw/zinc/97/93/72/470979372.db2.gz XRGLAYKUYMDLNM-GOSISDBHSA-N 3 2 342.487 2.254 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000644549124 470980138 /nfs/dbraw/zinc/98/01/38/470980138.db2.gz XRGLAYKUYMDLNM-SFHVURJKSA-N 2 2 342.487 2.254 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000644549124 470980140 /nfs/dbraw/zinc/98/01/40/470980140.db2.gz XRGLAYKUYMDLNM-SFHVURJKSA-N 3 2 342.487 2.254 20 30 EEEDLP C=C(C)[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)OCC ZINC000371055341 526747525 /nfs/dbraw/zinc/74/75/25/526747525.db2.gz QWBYGFPJXXFZEI-GOSISDBHSA-N 2 2 337.508 2.033 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000770225143 577592684 /nfs/dbraw/zinc/59/26/84/577592684.db2.gz BGKHCCQHSPIHTI-IBGZPJMESA-N 2 2 325.456 2.361 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000770225143 577592685 /nfs/dbraw/zinc/59/26/85/577592685.db2.gz BGKHCCQHSPIHTI-IBGZPJMESA-N 2 2 325.456 2.361 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262012633 677834730 /nfs/dbraw/zinc/83/47/30/677834730.db2.gz WZLGTELOIWXFAA-KSZLIROESA-N 3 2 346.523 2.216 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262012633 677834733 /nfs/dbraw/zinc/83/47/33/677834733.db2.gz WZLGTELOIWXFAA-KSZLIROESA-N 3 2 346.523 2.216 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024486755 679967918 /nfs/dbraw/zinc/96/79/18/679967918.db2.gz ICTMLDLENXYFAR-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024486755 679967923 /nfs/dbraw/zinc/96/79/23/679967923.db2.gz ICTMLDLENXYFAR-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024486755 679967921 /nfs/dbraw/zinc/96/79/21/679967921.db2.gz ICTMLDLENXYFAR-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024486755 679967926 /nfs/dbraw/zinc/96/79/26/679967926.db2.gz ICTMLDLENXYFAR-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747283 685372571 /nfs/dbraw/zinc/37/25/71/685372571.db2.gz BSGSUVMTLARTSI-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747283 685372577 /nfs/dbraw/zinc/37/25/77/685372577.db2.gz BSGSUVMTLARTSI-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747283 685372583 /nfs/dbraw/zinc/37/25/83/685372583.db2.gz BSGSUVMTLARTSI-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747283 685372587 /nfs/dbraw/zinc/37/25/87/685372587.db2.gz BSGSUVMTLARTSI-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742720 685385616 /nfs/dbraw/zinc/38/56/16/685385616.db2.gz NXPKTNOWNNTMMP-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742720 685385626 /nfs/dbraw/zinc/38/56/26/685385626.db2.gz NXPKTNOWNNTMMP-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807722 681300468 /nfs/dbraw/zinc/30/04/68/681300468.db2.gz GTYHRRLUQLCBLZ-CALCHBBNSA-N 2 2 336.867 2.114 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807722 681300473 /nfs/dbraw/zinc/30/04/73/681300473.db2.gz GTYHRRLUQLCBLZ-CALCHBBNSA-N 2 2 336.867 2.114 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC000992754917 683382685 /nfs/dbraw/zinc/38/26/85/683382685.db2.gz MGGCRRORGBMPCK-RCCFBDPRSA-N 2 2 325.456 2.470 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029342466 684042877 /nfs/dbraw/zinc/04/28/77/684042877.db2.gz PYTBWBAVOFWZJF-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029342466 684042880 /nfs/dbraw/zinc/04/28/80/684042880.db2.gz PYTBWBAVOFWZJF-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029342466 684042881 /nfs/dbraw/zinc/04/28/81/684042881.db2.gz PYTBWBAVOFWZJF-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029342466 684042883 /nfs/dbraw/zinc/04/28/83/684042883.db2.gz PYTBWBAVOFWZJF-ZCNNSNEGSA-N 2 2 343.515 2.340 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001026533949 684725724 /nfs/dbraw/zinc/72/57/24/684725724.db2.gz NDSWSKFIHPJEJI-CTWPCTMYSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001026533949 684725727 /nfs/dbraw/zinc/72/57/27/684725727.db2.gz NDSWSKFIHPJEJI-CTWPCTMYSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 ZINC000990815243 693909513 /nfs/dbraw/zinc/90/95/13/693909513.db2.gz JZHGFYHMWYFMQO-PXNSSMCTSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 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C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544707 1199645072 /nfs/dbraw/zinc/64/50/72/1199645072.db2.gz IDTIGTWYVHPEMF-NWDGAFQWSA-N 2 2 343.269 2.124 20 30 EEEDLP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544707 1199645074 /nfs/dbraw/zinc/64/50/74/1199645074.db2.gz IDTIGTWYVHPEMF-NWDGAFQWSA-N 2 2 343.269 2.124 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132441210 1199724958 /nfs/dbraw/zinc/72/49/58/1199724958.db2.gz MFBOOLBMPQUFSM-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132441210 1199724962 /nfs/dbraw/zinc/72/49/62/1199724962.db2.gz MFBOOLBMPQUFSM-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132441210 1199724965 /nfs/dbraw/zinc/72/49/65/1199724965.db2.gz MFBOOLBMPQUFSM-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132441210 1199724967 /nfs/dbraw/zinc/72/49/67/1199724967.db2.gz MFBOOLBMPQUFSM-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767148 1209361137 /nfs/dbraw/zinc/36/11/37/1209361137.db2.gz QZNVBDWKZRGHCD-HZPDHXFCSA-N 2 2 328.460 2.166 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767148 1209361139 /nfs/dbraw/zinc/36/11/39/1209361139.db2.gz QZNVBDWKZRGHCD-HZPDHXFCSA-N 2 2 328.460 2.166 20 30 EEEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000948850384 1209415897 /nfs/dbraw/zinc/41/58/97/1209415897.db2.gz IVZFTDKEQHSBDI-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000948850384 1209415900 /nfs/dbraw/zinc/41/59/00/1209415900.db2.gz IVZFTDKEQHSBDI-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961196754 1217082980 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ZINC001235393271 1305215505 /nfs/dbraw/zinc/21/55/05/1305215505.db2.gz OCVATTOKCXYHCU-IBGZPJMESA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001150282287 1316225897 /nfs/dbraw/zinc/22/58/97/1316225897.db2.gz KIIMYYFJDBQALU-HZPDHXFCSA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001150282287 1316225899 /nfs/dbraw/zinc/22/58/99/1316225899.db2.gz KIIMYYFJDBQALU-HZPDHXFCSA-N 2 2 346.475 2.003 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203199770 1316493723 /nfs/dbraw/zinc/49/37/23/1316493723.db2.gz CWSVIVNIMMAXJX-UONOGXRCSA-N 2 2 336.867 2.122 20 30 EEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001252469722 1317608875 /nfs/dbraw/zinc/60/88/75/1317608875.db2.gz ASQGYEQAYRUIMC-FQEVSTJZSA-N 2 2 330.472 2.073 20 30 EEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252469722 1317608878 /nfs/dbraw/zinc/60/88/78/1317608878.db2.gz ASQGYEQAYRUIMC-FQEVSTJZSA-N 2 2 330.472 2.073 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001253394873 1317839359 /nfs/dbraw/zinc/83/93/59/1317839359.db2.gz ULEVWVIDCMGYBT-MRXNPFEDSA-N 2 2 331.460 2.150 20 30 EEEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001160431841 1320161776 /nfs/dbraw/zinc/16/17/76/1320161776.db2.gz GAKLLPKBOCRTCW-SFHVURJKSA-N 2 2 345.487 2.064 20 30 EEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165818692 1321591298 /nfs/dbraw/zinc/59/12/98/1321591298.db2.gz AVNVAWBZTHWFMI-INIZCTEOSA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165834388 1321594486 /nfs/dbraw/zinc/59/44/86/1321594486.db2.gz BMUSPACMQFUUEL-AWEZNQCLSA-N 2 2 336.867 2.074 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203669058 1321936451 /nfs/dbraw/zinc/93/64/51/1321936451.db2.gz KQKRQVBTIVPDDF-IAGOWNOFSA-N 2 2 330.476 2.336 20 30 EEEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203902701 1321985874 /nfs/dbraw/zinc/98/58/74/1321985874.db2.gz KDONEOVVGZMPSN-FQEVSTJZSA-N 2 2 343.471 2.119 20 30 EEEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203902701 1321985875 /nfs/dbraw/zinc/98/58/75/1321985875.db2.gz KDONEOVVGZMPSN-FQEVSTJZSA-N 2 2 343.471 2.119 20 30 EEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203902701 1321985883 /nfs/dbraw/zinc/98/58/83/1321985883.db2.gz KDONEOVVGZMPSN-FQEVSTJZSA-N 2 2 343.471 2.119 20 30 EEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203902701 1321985885 /nfs/dbraw/zinc/98/58/85/1321985885.db2.gz KDONEOVVGZMPSN-FQEVSTJZSA-N 2 2 343.471 2.119 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001206768455 1323585200 /nfs/dbraw/zinc/58/52/00/1323585200.db2.gz FUQIAUAONKWQCA-UHFFFAOYSA-N 2 2 339.443 2.285 20 30 EEEDLP N#Cc1ccc(CC[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1 ZINC001208922968 1324720116 /nfs/dbraw/zinc/72/01/16/1324720116.db2.gz MIXIJPLSADYODX-UHFFFAOYSA-N 2 2 346.438 2.100 20 30 EEEDLP N#Cc1ccc(CC[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1 ZINC001208922968 1324720120 /nfs/dbraw/zinc/72/01/20/1324720120.db2.gz MIXIJPLSADYODX-UHFFFAOYSA-N 2 2 346.438 2.100 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001399497945 1395165684 /nfs/dbraw/zinc/16/56/84/1395165684.db2.gz LJJOWVMCCSNFHZ-OAHLLOKOSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001399497945 1395165698 /nfs/dbraw/zinc/16/56/98/1395165698.db2.gz LJJOWVMCCSNFHZ-OAHLLOKOSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001399497945 1395165709 /nfs/dbraw/zinc/16/57/09/1395165709.db2.gz LJJOWVMCCSNFHZ-OAHLLOKOSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001399497945 1395165674 /nfs/dbraw/zinc/16/56/74/1395165674.db2.gz LJJOWVMCCSNFHZ-OAHLLOKOSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001403346224 1399777428 /nfs/dbraw/zinc/77/74/28/1399777428.db2.gz PKSWWTVAYUDDPR-OAHLLOKOSA-N 2 2 327.900 2.442 20 30 EEEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001112498390 758338974 /nfs/dbraw/zinc/33/89/74/758338974.db2.gz GSOTYPOTKXLMBS-RXVVDRJESA-N 2 2 348.450 2.337 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C(C)(C)[C@H]21 ZINC001087293438 761501165 /nfs/dbraw/zinc/50/11/65/761501165.db2.gz DZUHDJQWCJPDEZ-OIISXLGYSA-N 2 2 346.475 2.141 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)C(C)(C)[C@H]21 ZINC001087293438 761501181 /nfs/dbraw/zinc/50/11/81/761501181.db2.gz DZUHDJQWCJPDEZ-OIISXLGYSA-N 2 2 346.475 2.141 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538275 782653217 /nfs/dbraw/zinc/65/32/17/782653217.db2.gz NEURYMHZPQJJRU-LPHOPBHVSA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538275 782653225 /nfs/dbraw/zinc/65/32/25/782653225.db2.gz NEURYMHZPQJJRU-LPHOPBHVSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088019101 782775529 /nfs/dbraw/zinc/77/55/29/782775529.db2.gz WRLSLSMKGSEDQH-ZACQAIPSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088019101 782775530 /nfs/dbraw/zinc/77/55/30/782775530.db2.gz WRLSLSMKGSEDQH-ZACQAIPSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088019101 782775533 /nfs/dbraw/zinc/77/55/33/782775533.db2.gz WRLSLSMKGSEDQH-ZACQAIPSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088019101 782775537 /nfs/dbraw/zinc/77/55/37/782775537.db2.gz WRLSLSMKGSEDQH-ZACQAIPSSA-N 2 2 342.487 2.179 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087423245 770081986 /nfs/dbraw/zinc/08/19/86/770081986.db2.gz QFVPJPBCFXYAAA-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087423245 770081998 /nfs/dbraw/zinc/08/19/98/770081998.db2.gz QFVPJPBCFXYAAA-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087423245 770082011 /nfs/dbraw/zinc/08/20/11/770082011.db2.gz QFVPJPBCFXYAAA-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087423245 770082024 /nfs/dbraw/zinc/08/20/24/770082024.db2.gz QFVPJPBCFXYAAA-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112176899 782945752 /nfs/dbraw/zinc/94/57/52/782945752.db2.gz FAWKDBTVYLDFJD-IACUBPJLSA-N 2 2 344.381 2.143 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112176899 782945754 /nfs/dbraw/zinc/94/57/54/782945754.db2.gz FAWKDBTVYLDFJD-IACUBPJLSA-N 2 2 344.381 2.143 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089653762 773887240 /nfs/dbraw/zinc/88/72/40/773887240.db2.gz TYWGVWJIAHKQMD-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089653762 773887255 /nfs/dbraw/zinc/88/72/55/773887255.db2.gz TYWGVWJIAHKQMD-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089653762 773887264 /nfs/dbraw/zinc/88/72/64/773887264.db2.gz TYWGVWJIAHKQMD-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089653762 773887269 /nfs/dbraw/zinc/88/72/69/773887269.db2.gz TYWGVWJIAHKQMD-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971866 775446255 /nfs/dbraw/zinc/44/62/55/775446255.db2.gz NKDMMXLIUVPGGI-RHSMWYFYSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971866 775446278 /nfs/dbraw/zinc/44/62/78/775446278.db2.gz NKDMMXLIUVPGGI-RHSMWYFYSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001027971866 775446286 /nfs/dbraw/zinc/44/62/86/775446286.db2.gz NKDMMXLIUVPGGI-RHSMWYFYSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001027971866 775446291 /nfs/dbraw/zinc/44/62/91/775446291.db2.gz NKDMMXLIUVPGGI-RHSMWYFYSA-N 2 2 346.500 2.185 20 30 EEEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001089814017 776305026 /nfs/dbraw/zinc/30/50/26/776305026.db2.gz BXVHIGKUYUIJDT-VJANTYMQSA-N 2 2 348.450 2.058 20 30 EEEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001089814017 776305032 /nfs/dbraw/zinc/30/50/32/776305032.db2.gz BXVHIGKUYUIJDT-VJANTYMQSA-N 2 2 348.450 2.058 20 30 EEEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981770995 778188320 /nfs/dbraw/zinc/18/83/20/778188320.db2.gz KCOYTTFBGKASPH-UHFFFAOYSA-N 2 2 336.439 2.204 20 30 EEEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981770995 778188327 /nfs/dbraw/zinc/18/83/27/778188327.db2.gz KCOYTTFBGKASPH-UHFFFAOYSA-N 2 2 336.439 2.204 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825856 778285640 /nfs/dbraw/zinc/28/56/40/778285640.db2.gz RBMRFPAYBKGGRQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825856 778285643 /nfs/dbraw/zinc/28/56/43/778285643.db2.gz RBMRFPAYBKGGRQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981825856 778285647 /nfs/dbraw/zinc/28/56/47/778285647.db2.gz RBMRFPAYBKGGRQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981825856 778285651 /nfs/dbraw/zinc/28/56/51/778285651.db2.gz RBMRFPAYBKGGRQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196054 784027214 /nfs/dbraw/zinc/02/72/14/784027214.db2.gz QKIDMXQMYKUYKQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196054 784027220 /nfs/dbraw/zinc/02/72/20/784027220.db2.gz QKIDMXQMYKUYKQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196054 784027225 /nfs/dbraw/zinc/02/72/25/784027225.db2.gz QKIDMXQMYKUYKQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196054 784027234 /nfs/dbraw/zinc/02/72/34/784027234.db2.gz QKIDMXQMYKUYKQ-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135588631 784059488 /nfs/dbraw/zinc/05/94/88/784059488.db2.gz AVXJFXNTMBASKD-IAGOWNOFSA-N 2 2 337.508 2.080 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135792058 784439752 /nfs/dbraw/zinc/43/97/52/784439752.db2.gz CVRHESGBPFGOCH-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001035724293 785022796 /nfs/dbraw/zinc/02/27/96/785022796.db2.gz XNJNEDXNVHHVFW-UHFFFAOYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035724293 785022803 /nfs/dbraw/zinc/02/28/03/785022803.db2.gz XNJNEDXNVHHVFW-UHFFFAOYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000996477812 786428720 /nfs/dbraw/zinc/42/87/20/786428720.db2.gz AJYNRIUCTGUQGE-QGZVFWFLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948120 793049450 /nfs/dbraw/zinc/04/94/50/793049450.db2.gz PZFATYOWAJSSRI-JKSUJKDBSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948120 793049461 /nfs/dbraw/zinc/04/94/61/793049461.db2.gz PZFATYOWAJSSRI-JKSUJKDBSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966386 806305983 /nfs/dbraw/zinc/30/59/83/806305983.db2.gz ONADBKRDFKTZIB-LXZJYRNTSA-N 2 2 327.472 2.371 20 30 EEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966386 806305992 /nfs/dbraw/zinc/30/59/92/806305992.db2.gz ONADBKRDFKTZIB-LXZJYRNTSA-N 2 2 327.472 2.371 20 30 EEEDLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC000992533556 794535084 /nfs/dbraw/zinc/53/50/84/794535084.db2.gz NZGUXXRQPHJBHF-CTNGQTDRSA-N 2 2 348.450 2.048 20 30 EEEDLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC000992533556 794535089 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SYBNPINXCJPUJT-VNQPRFMTSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080553175 796177200 /nfs/dbraw/zinc/17/72/00/796177200.db2.gz SYBNPINXCJPUJT-VNQPRFMTSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC001078632634 796754593 /nfs/dbraw/zinc/75/45/93/796754593.db2.gz RCSOBQPISWHDSH-IAGOWNOFSA-N 2 2 342.487 2.355 20 30 EEEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C#N ZINC001172975301 797177991 /nfs/dbraw/zinc/17/79/91/797177991.db2.gz YKRSUXUJKWJVAJ-IKGGRYGDSA-N 2 2 348.491 2.352 20 30 EEEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C#N ZINC001172975301 797177993 /nfs/dbraw/zinc/17/79/93/797177993.db2.gz YKRSUXUJKWJVAJ-IKGGRYGDSA-N 2 2 348.491 2.352 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994402554 797953553 /nfs/dbraw/zinc/95/35/53/797953553.db2.gz AHCSDTZTIASSQN-YOEHRIQHSA-N 2 2 346.500 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CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246360585 464576550 /nfs/dbraw/zinc/57/65/50/464576550.db2.gz KTBLKFGYSHMTRS-MSOLQXFVSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246360585 464576553 /nfs/dbraw/zinc/57/65/53/464576553.db2.gz KTBLKFGYSHMTRS-MSOLQXFVSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246360585 464576556 /nfs/dbraw/zinc/57/65/56/464576556.db2.gz KTBLKFGYSHMTRS-MSOLQXFVSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246360585 464576559 /nfs/dbraw/zinc/57/65/59/464576559.db2.gz KTBLKFGYSHMTRS-MSOLQXFVSA-N 2 2 334.508 2.335 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329731025 465418935 /nfs/dbraw/zinc/41/89/35/465418935.db2.gz IBWKDIWNSAYVDI-HUUCEWRRSA-N 2 2 331.464 2.131 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329731025 465418936 /nfs/dbraw/zinc/41/89/36/465418936.db2.gz IBWKDIWNSAYVDI-HUUCEWRRSA-N 2 2 331.464 2.131 20 30 EEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348331717 465553864 /nfs/dbraw/zinc/55/38/64/465553864.db2.gz RPBLUTQZRYCHKV-BGYRXZFFSA-N 2 2 341.499 2.475 20 30 EEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348331717 465553869 /nfs/dbraw/zinc/55/38/69/465553869.db2.gz RPBLUTQZRYCHKV-BGYRXZFFSA-N 2 2 341.499 2.475 20 30 EEEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348331717 465553871 /nfs/dbraw/zinc/55/38/71/465553871.db2.gz RPBLUTQZRYCHKV-BGYRXZFFSA-N 2 2 341.499 2.475 20 30 EEEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348331717 465553877 /nfs/dbraw/zinc/55/38/77/465553877.db2.gz RPBLUTQZRYCHKV-BGYRXZFFSA-N 2 2 341.499 2.475 20 30 EEEDLP C[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000357450578 466049157 /nfs/dbraw/zinc/04/91/57/466049157.db2.gz FGUXUWPRXVKJBO-AWEZNQCLSA-N 2 2 343.431 2.071 20 30 EEEDLP C[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000357450578 466049165 /nfs/dbraw/zinc/04/91/65/466049165.db2.gz FGUXUWPRXVKJBO-AWEZNQCLSA-N 2 2 343.431 2.071 20 30 EEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553281 469277069 /nfs/dbraw/zinc/27/70/69/469277069.db2.gz VVDIPBSFLHHBTN-OALUTQOASA-N 2 2 330.451 2.492 20 30 EEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553281 469277074 /nfs/dbraw/zinc/27/70/74/469277074.db2.gz VVDIPBSFLHHBTN-OALUTQOASA-N 2 2 330.451 2.492 20 30 EEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602530170 469351916 /nfs/dbraw/zinc/35/19/16/469351916.db2.gz DZUWCCITVJGXML-KRWDZBQOSA-N 3 2 348.535 2.234 20 30 EEEDLP [NH3+]C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@H]1C(F)(F)F ZINC000629565988 469581656 /nfs/dbraw/zinc/58/16/56/469581656.db2.gz XLXBPKWMMYNYFU-RKDXNWHRSA-N 2 2 340.283 2.363 20 30 EEEDLP [NH3+]C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CC[C@H]1C(F)(F)F ZINC000629565988 469581661 /nfs/dbraw/zinc/58/16/61/469581661.db2.gz XLXBPKWMMYNYFU-RKDXNWHRSA-N 2 2 340.283 2.363 20 30 EEEDLP C[NH+]=C(NCc1scnc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160078603 526393803 /nfs/dbraw/zinc/39/38/03/526393803.db2.gz DYUOIANDOQOOQR-GXTWGEPZSA-N 2 2 332.477 2.307 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000732057564 577145777 /nfs/dbraw/zinc/14/57/77/577145777.db2.gz JLZJOQOLUHPCIE-IBGZPJMESA-N 2 2 343.471 2.443 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000732057564 577145780 /nfs/dbraw/zinc/14/57/80/577145780.db2.gz JLZJOQOLUHPCIE-IBGZPJMESA-N 2 2 343.471 2.443 20 30 EEEDLP COC(=O)c1oc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1C ZINC000747838740 577951240 /nfs/dbraw/zinc/95/12/40/577951240.db2.gz IWISDJCPXBZCPG-UHFFFAOYSA-N 2 2 345.399 2.273 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(C)c3)CCCC2)CC1 ZINC000748816471 577967395 /nfs/dbraw/zinc/96/73/95/577967395.db2.gz JNNNGDLIDNKQIM-UHFFFAOYSA-N 2 2 339.483 2.131 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024517060 680022554 /nfs/dbraw/zinc/02/25/54/680022554.db2.gz QMBONULZAQPFCS-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024517060 680022559 /nfs/dbraw/zinc/02/25/59/680022559.db2.gz QMBONULZAQPFCS-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982542225 681611245 /nfs/dbraw/zinc/61/12/45/681611245.db2.gz URXLUMFWABILCQ-RYGJVYDSSA-N 2 2 340.471 2.023 20 30 EEEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982542225 681611251 /nfs/dbraw/zinc/61/12/51/681611251.db2.gz URXLUMFWABILCQ-RYGJVYDSSA-N 2 2 340.471 2.023 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251587 682331476 /nfs/dbraw/zinc/33/14/76/682331476.db2.gz JNSFMQNAIVGDAY-IAGOWNOFSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251587 682331479 /nfs/dbraw/zinc/33/14/79/682331479.db2.gz JNSFMQNAIVGDAY-IAGOWNOFSA-N 2 2 330.476 2.384 20 30 EEEDLP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261986531 682731147 /nfs/dbraw/zinc/73/11/47/682731147.db2.gz QFNHUJFWVKLSIM-DWRORGKVSA-N 2 2 347.507 2.283 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]21 ZINC000992727971 683314733 /nfs/dbraw/zinc/31/47/33/683314733.db2.gz LENLTGPQNAQBNJ-KBAYOESNSA-N 2 2 343.471 2.426 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC000992752100 683382954 /nfs/dbraw/zinc/38/29/54/683382954.db2.gz GZFIWMPCNSZXGV-YESZJQIVSA-N 2 2 330.476 2.146 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]12 ZINC001026271132 684167093 /nfs/dbraw/zinc/16/70/93/684167093.db2.gz KXAIKKWAULDDOK-KBAYOESNSA-N 2 2 342.487 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088631472 1188018544 /nfs/dbraw/zinc/01/85/44/1188018544.db2.gz MMTGGMUFTNXZBD-NEWSRXKRSA-N 2 2 343.515 2.243 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088631472 1188018549 /nfs/dbraw/zinc/01/85/49/1188018549.db2.gz MMTGGMUFTNXZBD-NEWSRXKRSA-N 2 2 343.515 2.243 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088631472 1188018553 /nfs/dbraw/zinc/01/85/53/1188018553.db2.gz MMTGGMUFTNXZBD-NEWSRXKRSA-N 2 2 343.515 2.243 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088631472 1188018557 /nfs/dbraw/zinc/01/85/57/1188018557.db2.gz MMTGGMUFTNXZBD-NEWSRXKRSA-N 2 2 343.515 2.243 20 30 EEEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105552038 1188167934 /nfs/dbraw/zinc/16/79/34/1188167934.db2.gz UWRSOHUGOZCSHG-KRWDZBQOSA-N 2 2 328.460 2.047 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364561 1194478987 /nfs/dbraw/zinc/47/89/87/1194478987.db2.gz FYFQTANSTLDVIE-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364561 1194478988 /nfs/dbraw/zinc/47/89/88/1194478988.db2.gz FYFQTANSTLDVIE-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033364561 1194478990 /nfs/dbraw/zinc/47/89/90/1194478990.db2.gz FYFQTANSTLDVIE-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033364561 1194478991 /nfs/dbraw/zinc/47/89/91/1194478991.db2.gz FYFQTANSTLDVIE-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415554 1194535736 /nfs/dbraw/zinc/53/57/36/1194535736.db2.gz JHOZUHAAPXHENG-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415554 1194535740 /nfs/dbraw/zinc/53/57/40/1194535740.db2.gz JHOZUHAAPXHENG-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415554 1194535742 /nfs/dbraw/zinc/53/57/42/1194535742.db2.gz JHOZUHAAPXHENG-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415554 1194535747 /nfs/dbraw/zinc/53/57/47/1194535747.db2.gz JHOZUHAAPXHENG-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033416524 1194538177 /nfs/dbraw/zinc/53/81/77/1194538177.db2.gz QCSMUIMHLHZZCI-AZUAARDMSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033416524 1194538181 /nfs/dbraw/zinc/53/81/81/1194538181.db2.gz QCSMUIMHLHZZCI-AZUAARDMSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033416524 1194538184 /nfs/dbraw/zinc/53/81/84/1194538184.db2.gz QCSMUIMHLHZZCI-AZUAARDMSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033416524 1194538187 /nfs/dbraw/zinc/53/81/87/1194538187.db2.gz QCSMUIMHLHZZCI-AZUAARDMSA-N 2 2 339.483 2.055 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034003561 1195646418 /nfs/dbraw/zinc/64/64/18/1195646418.db2.gz DVBIDZUVYKAWGU-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034003561 1195646424 /nfs/dbraw/zinc/64/64/24/1195646424.db2.gz DVBIDZUVYKAWGU-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001034045249 1195697320 /nfs/dbraw/zinc/69/73/20/1195697320.db2.gz IZQVUXKPLKKDKH-KRWDZBQOSA-N 2 2 337.895 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014775037 1224329521 /nfs/dbraw/zinc/32/95/21/1224329521.db2.gz LYWLKYSMAPLVNO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014775037 1224329530 /nfs/dbraw/zinc/32/95/30/1224329530.db2.gz LYWLKYSMAPLVNO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014775037 1224329540 /nfs/dbraw/zinc/32/95/40/1224329540.db2.gz LYWLKYSMAPLVNO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014775037 1224329551 /nfs/dbraw/zinc/32/95/51/1224329551.db2.gz LYWLKYSMAPLVNO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527760 1196332778 /nfs/dbraw/zinc/33/27/78/1196332778.db2.gz HJDCVRHGWBZGLJ-LJQANCHMSA-N 2 2 340.471 2.125 20 30 EEEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527760 1196332781 /nfs/dbraw/zinc/33/27/81/1196332781.db2.gz 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C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001121318664 1309979984 /nfs/dbraw/zinc/97/99/84/1309979984.db2.gz LNUJWTPZMYTVHJ-VPDSAYSTSA-N 2 2 342.487 2.416 20 30 EEEDLP N#Cc1ccc(F)c(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247860973 1310753836 /nfs/dbraw/zinc/75/38/36/1310753836.db2.gz NUIXEFFTHZIDLJ-AWEZNQCLSA-N 2 2 327.363 2.294 20 30 EEEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149868129 1316071667 /nfs/dbraw/zinc/07/16/67/1316071667.db2.gz DCGAOCLBMKMJLX-QZTJIDSGSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149868129 1316071672 /nfs/dbraw/zinc/07/16/72/1316071672.db2.gz DCGAOCLBMKMJLX-QZTJIDSGSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001151352137 1316510681 /nfs/dbraw/zinc/51/06/81/1316510681.db2.gz QHIZWCLTXBHXAX-KRWDZBQOSA-N 2 2 348.491 2.398 20 30 EEEDLP N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155377913 1317570989 /nfs/dbraw/zinc/57/09/89/1317570989.db2.gz WMMLEDSGKBIPDY-LBPRGKRZSA-N 2 2 340.258 2.119 20 30 EEEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001253188506 1317791464 /nfs/dbraw/zinc/79/14/64/1317791464.db2.gz ZXMPGCXVTDGCHF-PKOBYXMFSA-N 2 2 331.460 2.104 20 30 EEEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001253188506 1317791467 /nfs/dbraw/zinc/79/14/67/1317791467.db2.gz ZXMPGCXVTDGCHF-PKOBYXMFSA-N 2 2 331.460 2.104 20 30 EEEDLP CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927259 1318294471 /nfs/dbraw/zinc/29/44/71/1318294471.db2.gz ISKWNRGPHCAFJM-OAHLLOKOSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927259 1318294480 /nfs/dbraw/zinc/29/44/80/1318294480.db2.gz ISKWNRGPHCAFJM-OAHLLOKOSA-N 2 2 346.450 2.120 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258731435 1319330655 /nfs/dbraw/zinc/33/06/55/1319330655.db2.gz XPEPOWAHGUEIEZ-IAGOWNOFSA-N 2 2 331.508 2.362 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258731435 1319330659 /nfs/dbraw/zinc/33/06/59/1319330659.db2.gz XPEPOWAHGUEIEZ-IAGOWNOFSA-N 2 2 331.508 2.362 20 30 EEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959073 1320695405 /nfs/dbraw/zinc/69/54/05/1320695405.db2.gz GDEBTXDIUARBIC-LJQANCHMSA-N 2 2 342.487 2.399 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959073 1320695411 /nfs/dbraw/zinc/69/54/11/1320695411.db2.gz GDEBTXDIUARBIC-LJQANCHMSA-N 2 2 342.487 2.399 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2(C)COC2)C3)cc1C#N ZINC001276415788 1321941856 /nfs/dbraw/zinc/94/18/56/1321941856.db2.gz RWWMNWVGJCCKGK-FQEVSTJZSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2(C)COC2)C3)cc1C#N ZINC001276415788 1321941857 /nfs/dbraw/zinc/94/18/57/1321941857.db2.gz RWWMNWVGJCCKGK-FQEVSTJZSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2(C)COC2)C3)cc1C#N ZINC001276415788 1321941859 /nfs/dbraw/zinc/94/18/59/1321941859.db2.gz RWWMNWVGJCCKGK-FQEVSTJZSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2(C)COC2)C3)cc1C#N ZINC001276415788 1321941860 /nfs/dbraw/zinc/94/18/60/1321941860.db2.gz RWWMNWVGJCCKGK-FQEVSTJZSA-N 2 2 342.487 2.221 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556203 1323192819 /nfs/dbraw/zinc/19/28/19/1323192819.db2.gz MRPQVDBWVPVPFS-MRXNPFEDSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556203 1323192827 /nfs/dbraw/zinc/19/28/27/1323192827.db2.gz MRPQVDBWVPVPFS-MRXNPFEDSA-N 2 2 330.476 2.227 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCC=C)C[C@H]1C ZINC001207583614 1324039376 /nfs/dbraw/zinc/03/93/76/1324039376.db2.gz ZMHCNTKZSQDYMB-QRVBRYPASA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCC=C)C[C@H]1C ZINC001207583614 1324039383 /nfs/dbraw/zinc/03/93/83/1324039383.db2.gz ZMHCNTKZSQDYMB-QRVBRYPASA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC=C)C[C@H]1C ZINC001207583614 1324039392 /nfs/dbraw/zinc/03/93/92/1324039392.db2.gz ZMHCNTKZSQDYMB-QRVBRYPASA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC=C)C[C@H]1C ZINC001207583614 1324039400 /nfs/dbraw/zinc/03/94/00/1324039400.db2.gz ZMHCNTKZSQDYMB-QRVBRYPASA-N 2 2 331.504 2.267 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208083380 1324306723 /nfs/dbraw/zinc/30/67/23/1324306723.db2.gz CZWNRWSKHZDBOR-MRXNPFEDSA-N 2 2 330.476 2.309 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210645864 1325365925 /nfs/dbraw/zinc/36/59/25/1325365925.db2.gz VHCCWXZXMJKNLC-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C#C[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763389 1372525464 /nfs/dbraw/zinc/52/54/64/1372525464.db2.gz LKSLGVCGRBZGSS-GOSISDBHSA-N 2 2 328.456 2.243 20 30 EEEDLP C#C[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763389 1372525467 /nfs/dbraw/zinc/52/54/67/1372525467.db2.gz LKSLGVCGRBZGSS-GOSISDBHSA-N 2 2 328.456 2.243 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001381595812 1381680174 /nfs/dbraw/zinc/68/01/74/1381680174.db2.gz BWPXEBCOJBILGG-CQSZACIVSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001381595812 1381680175 /nfs/dbraw/zinc/68/01/75/1381680175.db2.gz BWPXEBCOJBILGG-CQSZACIVSA-N 2 2 327.900 2.297 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001398247796 1392053352 /nfs/dbraw/zinc/05/33/52/1392053352.db2.gz HAEONYOKZSBINK-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001398247796 1392053365 /nfs/dbraw/zinc/05/33/65/1392053365.db2.gz HAEONYOKZSBINK-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001398247796 1392053627 /nfs/dbraw/zinc/05/36/27/1392053627.db2.gz HAEONYOKZSBINK-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001753967729 1406783708 /nfs/dbraw/zinc/78/37/08/1406783708.db2.gz YXXRXYMTDFDTGK-DOMZBBRYSA-N 2 2 339.871 2.027 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001753967729 1406783715 /nfs/dbraw/zinc/78/37/15/1406783715.db2.gz YXXRXYMTDFDTGK-DOMZBBRYSA-N 2 2 339.871 2.027 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001400754360 1396576404 /nfs/dbraw/zinc/57/64/04/1396576404.db2.gz BCXQCHUFNQODMR-MRXNPFEDSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001400754360 1396576409 /nfs/dbraw/zinc/57/64/09/1396576409.db2.gz BCXQCHUFNQODMR-MRXNPFEDSA-N 2 2 327.900 2.394 20 30 EEEDLP C=CCOCC[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755856565 1407910308 /nfs/dbraw/zinc/91/03/08/1407910308.db2.gz DIRYIYUODDDCSH-UHFFFAOYSA-N 2 2 342.443 2.038 20 30 EEEDLP C=CCC[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448469 761365871 /nfs/dbraw/zinc/36/58/71/761365871.db2.gz OIILAPPUDKNRHQ-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448469 761365878 /nfs/dbraw/zinc/36/58/78/761365878.db2.gz OIILAPPUDKNRHQ-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448469 761365885 /nfs/dbraw/zinc/36/58/85/761365885.db2.gz OIILAPPUDKNRHQ-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448469 761365891 /nfs/dbraw/zinc/36/58/91/761365891.db2.gz OIILAPPUDKNRHQ-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734569 761650133 /nfs/dbraw/zinc/65/01/33/761650133.db2.gz YTYXYSLHKHDDAX-RBUKOAKNSA-N 2 2 338.455 2.434 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135712 782957105 /nfs/dbraw/zinc/95/71/05/782957105.db2.gz YKQBDGOURLEFPG-BBWFWOEESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135712 782957112 /nfs/dbraw/zinc/95/71/12/782957112.db2.gz YKQBDGOURLEFPG-BBWFWOEESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135712 782957119 /nfs/dbraw/zinc/95/71/19/782957119.db2.gz YKQBDGOURLEFPG-BBWFWOEESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135712 782957123 /nfs/dbraw/zinc/95/71/23/782957123.db2.gz YKQBDGOURLEFPG-BBWFWOEESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001027897337 774127844 /nfs/dbraw/zinc/12/78/44/774127844.db2.gz LEYDDASJUOCFEF-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001027897337 774127848 /nfs/dbraw/zinc/12/78/48/774127848.db2.gz LEYDDASJUOCFEF-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001027897337 774127851 /nfs/dbraw/zinc/12/78/51/774127851.db2.gz LEYDDASJUOCFEF-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001027897337 774127858 /nfs/dbraw/zinc/12/78/58/774127858.db2.gz LEYDDASJUOCFEF-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089814015 776305589 /nfs/dbraw/zinc/30/55/89/776305589.db2.gz BXVHIGKUYUIJDT-OKYOBFRVSA-N 2 2 348.450 2.058 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089814015 776305601 /nfs/dbraw/zinc/30/56/01/776305601.db2.gz BXVHIGKUYUIJDT-OKYOBFRVSA-N 2 2 348.450 2.058 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981538466 777621195 /nfs/dbraw/zinc/62/11/95/777621195.db2.gz OJZPXUVIDBIIJH-JKSUJKDBSA-N 2 2 333.501 2.309 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981538466 777621199 /nfs/dbraw/zinc/62/11/99/777621199.db2.gz OJZPXUVIDBIIJH-JKSUJKDBSA-N 2 2 333.501 2.309 20 30 EEEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853565 784606828 /nfs/dbraw/zinc/60/68/28/784606828.db2.gz ZMSMXLXUGBNKBB-CABCVRRESA-N 2 2 327.432 2.330 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CC2 ZINC001035741543 785056633 /nfs/dbraw/zinc/05/66/33/785056633.db2.gz NHAAWELHESUTSO-MRXNPFEDSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CC2 ZINC001035741543 785056636 /nfs/dbraw/zinc/05/66/36/785056636.db2.gz NHAAWELHESUTSO-MRXNPFEDSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001005869545 788603318 /nfs/dbraw/zinc/60/33/18/788603318.db2.gz MLDAUGZVDBSNFB-IBGZPJMESA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001005869545 788603323 /nfs/dbraw/zinc/60/33/23/788603323.db2.gz MLDAUGZVDBSNFB-IBGZPJMESA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089912098 789999073 /nfs/dbraw/zinc/99/90/73/789999073.db2.gz SSZBXCVNFSGXJJ-FJIDUMEYSA-N 2 2 328.460 2.018 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089912098 789999077 /nfs/dbraw/zinc/99/90/77/789999077.db2.gz SSZBXCVNFSGXJJ-FJIDUMEYSA-N 2 2 328.460 2.018 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088976137 791793729 /nfs/dbraw/zinc/79/37/29/791793729.db2.gz IEBWZYJAKAOLTO-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088976137 791793733 /nfs/dbraw/zinc/79/37/33/791793733.db2.gz IEBWZYJAKAOLTO-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998053098 791895370 /nfs/dbraw/zinc/89/53/70/791895370.db2.gz RWAZQSLANHZGHH-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998053098 791895375 /nfs/dbraw/zinc/89/53/75/791895375.db2.gz RWAZQSLANHZGHH-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC001086929476 793056639 /nfs/dbraw/zinc/05/66/39/793056639.db2.gz JDAXIEXCQMBNQN-IRXDYDNUSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091824275 793336426 /nfs/dbraw/zinc/33/64/26/793336426.db2.gz UWTYMYJNUFAYFS-QAPCUYQASA-N 2 2 344.846 2.481 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091824275 793336431 /nfs/dbraw/zinc/33/64/31/793336431.db2.gz UWTYMYJNUFAYFS-QAPCUYQASA-N 2 2 344.846 2.481 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092749325 794296771 /nfs/dbraw/zinc/29/67/71/794296771.db2.gz YTGPRXTVTZDAJB-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092749325 794296777 /nfs/dbraw/zinc/29/67/77/794296777.db2.gz YTGPRXTVTZDAJB-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092749325 794296781 /nfs/dbraw/zinc/29/67/81/794296781.db2.gz YTGPRXTVTZDAJB-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092749325 794296788 /nfs/dbraw/zinc/29/67/88/794296788.db2.gz YTGPRXTVTZDAJB-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782895 794983261 /nfs/dbraw/zinc/98/32/61/794983261.db2.gz ROZDCFHGEVGUPR-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782895 794983266 /nfs/dbraw/zinc/98/32/66/794983266.db2.gz ROZDCFHGEVGUPR-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342820 795422922 /nfs/dbraw/zinc/42/29/22/795422922.db2.gz FJBJYVVTARSWRU-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342820 795422924 /nfs/dbraw/zinc/42/29/24/795422924.db2.gz FJBJYVVTARSWRU-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993586 795442129 /nfs/dbraw/zinc/44/21/29/795442129.db2.gz QXGOGTGPRPHBND-DDUZABMNSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993586 795442132 /nfs/dbraw/zinc/44/21/32/795442132.db2.gz QXGOGTGPRPHBND-DDUZABMNSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993586 795442136 /nfs/dbraw/zinc/44/21/36/795442136.db2.gz QXGOGTGPRPHBND-DDUZABMNSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993586 795442140 /nfs/dbraw/zinc/44/21/40/795442140.db2.gz QXGOGTGPRPHBND-DDUZABMNSA-N 2 2 330.476 2.226 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860452 795545611 /nfs/dbraw/zinc/54/56/11/795545611.db2.gz ILJDBKOOWCPDRO-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860452 795545615 /nfs/dbraw/zinc/54/56/15/795545615.db2.gz ILJDBKOOWCPDRO-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036860981 795546905 /nfs/dbraw/zinc/54/69/05/795546905.db2.gz QSKSISJCGWYCMC-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036860981 795546912 /nfs/dbraw/zinc/54/69/12/795546912.db2.gz QSKSISJCGWYCMC-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108022547 795622440 /nfs/dbraw/zinc/62/24/40/795622440.db2.gz JSWCLKYPCQCOCG-LJQANCHMSA-N 2 2 348.491 2.100 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108022547 795622446 /nfs/dbraw/zinc/62/24/46/795622446.db2.gz JSWCLKYPCQCOCG-LJQANCHMSA-N 2 2 348.491 2.100 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655431 796055325 /nfs/dbraw/zinc/05/53/25/796055325.db2.gz OHYVOTUSZAMPJI-BZUAXINKSA-N 2 2 330.476 2.480 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094451275 796260240 /nfs/dbraw/zinc/26/02/40/796260240.db2.gz VFHPIUYITOSXEH-YVWKXTFCSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094451275 796260245 /nfs/dbraw/zinc/26/02/45/796260245.db2.gz VFHPIUYITOSXEH-YVWKXTFCSA-N 2 2 342.487 2.382 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509911 796338407 /nfs/dbraw/zinc/33/84/07/796338407.db2.gz QLYHENFEBBHDOU-WRWLIDTKSA-N 2 2 340.471 2.214 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509911 796338411 /nfs/dbraw/zinc/33/84/11/796338411.db2.gz QLYHENFEBBHDOU-WRWLIDTKSA-N 2 2 340.471 2.214 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391799 796524455 /nfs/dbraw/zinc/52/44/55/796524455.db2.gz HSFFMVQOZXVVAA-HOCLYGCPSA-N 2 2 333.501 2.416 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391799 796524458 /nfs/dbraw/zinc/52/44/58/796524458.db2.gz HSFFMVQOZXVVAA-HOCLYGCPSA-N 2 2 333.501 2.416 20 30 EEEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001081145674 796664761 /nfs/dbraw/zinc/66/47/61/796664761.db2.gz RKPJLOCYGUMFFJ-ZWKOTPCHSA-N 2 2 344.418 2.165 20 30 EEEDLP C[C@@H](CCCC#N)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001172482836 796991100 /nfs/dbraw/zinc/99/11/00/796991100.db2.gz AISPKEBNUFYBSQ-INIZCTEOSA-N 2 2 328.460 2.178 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442719 797096144 /nfs/dbraw/zinc/09/61/44/797096144.db2.gz VJVZROSDBPJVMA-FGTMMUONSA-N 2 2 348.491 2.252 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442719 797096149 /nfs/dbraw/zinc/09/61/49/797096149.db2.gz VJVZROSDBPJVMA-FGTMMUONSA-N 2 2 348.491 2.252 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928230 797137553 /nfs/dbraw/zinc/13/75/53/797137553.db2.gz MHLXQRKICWRKGY-GOEBONIOSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928230 797137555 /nfs/dbraw/zinc/13/75/55/797137555.db2.gz MHLXQRKICWRKGY-GOEBONIOSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001095046678 797274866 /nfs/dbraw/zinc/27/48/66/797274866.db2.gz HOGLRLPTDRPCOW-DZKIICNBSA-N 2 2 336.867 2.074 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994404578 797956258 /nfs/dbraw/zinc/95/62/58/797956258.db2.gz FUJXAQATRGQFMK-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994404578 797956264 /nfs/dbraw/zinc/95/62/64/797956264.db2.gz FUJXAQATRGQFMK-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001032827134 798467442 /nfs/dbraw/zinc/46/74/42/798467442.db2.gz IEARUIVFALZPPT-BJLQDIEVSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001032827134 798467443 /nfs/dbraw/zinc/46/74/43/798467443.db2.gz IEARUIVFALZPPT-BJLQDIEVSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001032827134 798467444 /nfs/dbraw/zinc/46/74/44/798467444.db2.gz IEARUIVFALZPPT-BJLQDIEVSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001032827134 798467445 /nfs/dbraw/zinc/46/74/45/798467445.db2.gz IEARUIVFALZPPT-BJLQDIEVSA-N 2 2 339.483 2.344 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084957851 798576885 /nfs/dbraw/zinc/57/68/85/798576885.db2.gz ATFORAXXMLQETD-KBMXLJTQSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084957851 798576888 /nfs/dbraw/zinc/57/68/88/798576888.db2.gz ATFORAXXMLQETD-KBMXLJTQSA-N 2 2 325.884 2.002 20 30 EEEDLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179689843 800039118 /nfs/dbraw/zinc/03/91/18/800039118.db2.gz NUQPQQDWNIZESR-UHFFFAOYSA-N 2 2 338.455 2.270 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001006240673 800332469 /nfs/dbraw/zinc/33/24/69/800332469.db2.gz YIQWJIFWLMREMR-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181951475 800972794 /nfs/dbraw/zinc/97/27/94/800972794.db2.gz AOYDJQWBOWYPEK-MBOZVWFJSA-N 2 2 344.503 2.486 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004621669 802482454 /nfs/dbraw/zinc/48/24/54/802482454.db2.gz USJJCMTZUPPDFW-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004621669 802482460 /nfs/dbraw/zinc/48/24/60/802482460.db2.gz USJJCMTZUPPDFW-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004621669 802482465 /nfs/dbraw/zinc/48/24/65/802482465.db2.gz USJJCMTZUPPDFW-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004621669 802482470 /nfs/dbraw/zinc/48/24/70/802482470.db2.gz USJJCMTZUPPDFW-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086251882 802604339 /nfs/dbraw/zinc/60/43/39/802604339.db2.gz NRSJCCRICVPRJJ-OKILXGFUSA-N 2 2 345.834 2.118 20 30 EEEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109418110 805432975 /nfs/dbraw/zinc/43/29/75/805432975.db2.gz XTRJLCMQXYRMKV-FZKCQIBNSA-N 2 2 325.884 2.335 20 30 EEEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109418110 805432980 /nfs/dbraw/zinc/43/29/80/805432980.db2.gz XTRJLCMQXYRMKV-FZKCQIBNSA-N 2 2 325.884 2.335 20 30 EEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109418110 805432984 /nfs/dbraw/zinc/43/29/84/805432984.db2.gz XTRJLCMQXYRMKV-FZKCQIBNSA-N 2 2 325.884 2.335 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109418110 805432989 /nfs/dbraw/zinc/43/29/89/805432989.db2.gz XTRJLCMQXYRMKV-FZKCQIBNSA-N 2 2 325.884 2.335 20 30 EEEDLP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC001131665064 813092251 /nfs/dbraw/zinc/09/22/51/813092251.db2.gz DDXJNSXJKLXAKN-APWZRJJASA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC001131665064 813092260 /nfs/dbraw/zinc/09/22/60/813092260.db2.gz DDXJNSXJKLXAKN-APWZRJJASA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001131665064 813092268 /nfs/dbraw/zinc/09/22/68/813092268.db2.gz DDXJNSXJKLXAKN-APWZRJJASA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001131665064 813092271 /nfs/dbraw/zinc/09/22/71/813092271.db2.gz DDXJNSXJKLXAKN-APWZRJJASA-N 2 2 346.475 2.000 20 30 EEEDLP C#CC[NH+]1CCC(OC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC001526630576 1120556959 /nfs/dbraw/zinc/55/69/59/1120556959.db2.gz RWOTWSWFQDRNKY-UHFFFAOYSA-N 2 2 337.423 2.115 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970022268 675395281 /nfs/dbraw/zinc/39/52/81/675395281.db2.gz YTUJYNVNVPJIPH-GDBMZVCRSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970022268 675395278 /nfs/dbraw/zinc/39/52/78/675395278.db2.gz YTUJYNVNVPJIPH-GDBMZVCRSA-N 2 2 327.900 2.296 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1CC ZINC001087607086 781929503 /nfs/dbraw/zinc/92/95/03/781929503.db2.gz KSWUCJBJSMMNID-KSZLIROESA-N 2 2 333.520 2.489 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1CC ZINC001087607086 781929510 /nfs/dbraw/zinc/92/95/10/781929510.db2.gz KSWUCJBJSMMNID-KSZLIROESA-N 2 2 333.520 2.489 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1CC ZINC001087607086 781929517 /nfs/dbraw/zinc/92/95/17/781929517.db2.gz KSWUCJBJSMMNID-KSZLIROESA-N 2 2 333.520 2.489 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1CC ZINC001087607086 781929523 /nfs/dbraw/zinc/92/95/23/781929523.db2.gz KSWUCJBJSMMNID-KSZLIROESA-N 2 2 333.520 2.489 20 30 EEEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000104178582 237082793 /nfs/dbraw/zinc/08/27/93/237082793.db2.gz KCUYGJNXLDXXTA-SFHVURJKSA-N 2 2 348.516 2.238 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000264340333 246375054 /nfs/dbraw/zinc/37/50/54/246375054.db2.gz BYNQVLLQFKIMCI-OAHLLOKOSA-N 2 2 331.464 2.339 20 30 EEEDLP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328659323 465093305 /nfs/dbraw/zinc/09/33/05/465093305.db2.gz SNLWBXYRIWCYDA-OAHLLOKOSA-N 2 2 333.480 2.447 20 30 EEEDLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328916344 465167187 /nfs/dbraw/zinc/16/71/87/465167187.db2.gz AJWSPLHZKHDIPC-UAGQMJEPSA-N 2 2 346.475 2.170 20 30 EEEDLP Cc1cc(NCC(C)(C)[NH+](C)C)c(C#N)c(NCC(C)(C)[NH+](C)C)[nH+]1 ZINC000590568551 468274758 /nfs/dbraw/zinc/27/47/58/468274758.db2.gz HFKZOIGHIXHYON-UHFFFAOYSA-N 3 2 346.523 2.766 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134863707 463088590 /nfs/dbraw/zinc/08/85/90/463088590.db2.gz HPXRCNPSEIOICV-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134863707 463088596 /nfs/dbraw/zinc/08/85/96/463088596.db2.gz HPXRCNPSEIOICV-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134863707 463088604 /nfs/dbraw/zinc/08/86/04/463088604.db2.gz HPXRCNPSEIOICV-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134863707 463088608 /nfs/dbraw/zinc/08/86/08/463088608.db2.gz HPXRCNPSEIOICV-APWZRJJASA-N 2 2 338.455 2.445 20 30 EEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918454 464413838 /nfs/dbraw/zinc/41/38/38/464413838.db2.gz ZLAWUFUZUUMXDR-MAUKXSAKSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918454 464413845 /nfs/dbraw/zinc/41/38/45/464413845.db2.gz ZLAWUFUZUUMXDR-MAUKXSAKSA-N 2 2 328.460 2.152 20 30 EEEDLP C#CCCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000367472175 466361207 /nfs/dbraw/zinc/36/12/07/466361207.db2.gz FVUIJKQNFSZLJB-HXUWFJFHSA-N 2 2 341.499 2.301 20 30 EEEDLP C#CCCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000367472175 466361217 /nfs/dbraw/zinc/36/12/17/466361217.db2.gz FVUIJKQNFSZLJB-HXUWFJFHSA-N 2 2 341.499 2.301 20 30 EEEDLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)C#N ZINC000433302241 467315757 /nfs/dbraw/zinc/31/57/57/467315757.db2.gz IIFCALDWDBENKX-UHFFFAOYSA-N 2 2 342.487 2.380 20 30 EEEDLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)C#N ZINC000433302241 467315760 /nfs/dbraw/zinc/31/57/60/467315760.db2.gz IIFCALDWDBENKX-UHFFFAOYSA-N 2 2 342.487 2.380 20 30 EEEDLP CC1(C#N)CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000449071370 467616624 /nfs/dbraw/zinc/61/66/24/467616624.db2.gz BHWVEGKXAZFBLR-IOJLRTSASA-N 2 2 327.472 2.468 20 30 EEEDLP CC1(C#N)CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000449071370 467616625 /nfs/dbraw/zinc/61/66/25/467616625.db2.gz BHWVEGKXAZFBLR-IOJLRTSASA-N 2 2 327.472 2.468 20 30 EEEDLP CO[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449463723 467648470 /nfs/dbraw/zinc/64/84/70/467648470.db2.gz XKHLDICMRQWVAO-ICSRJNTNSA-N 2 2 343.471 2.164 20 30 EEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516935159 468057020 /nfs/dbraw/zinc/05/70/20/468057020.db2.gz MGEGUFGXGKIQFE-ROUUACIJSA-N 2 2 341.455 2.378 20 30 EEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516935159 468057023 /nfs/dbraw/zinc/05/70/23/468057023.db2.gz MGEGUFGXGKIQFE-ROUUACIJSA-N 2 2 341.455 2.378 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)cnc12 ZINC000567896503 468233226 /nfs/dbraw/zinc/23/32/26/468233226.db2.gz VNHAJTRTAZPJGI-IBGZPJMESA-N 2 2 346.438 2.355 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)cnc12 ZINC000567896503 468233231 /nfs/dbraw/zinc/23/32/31/468233231.db2.gz VNHAJTRTAZPJGI-IBGZPJMESA-N 2 2 346.438 2.355 20 30 EEEDLP CC(C)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000181966952 529069102 /nfs/dbraw/zinc/06/91/02/529069102.db2.gz WWMZQUCDDOXHEX-LJQANCHMSA-N 2 2 340.471 2.122 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000730106344 576716168 /nfs/dbraw/zinc/71/61/68/576716168.db2.gz YMIMTGFRFWWRLK-IBGZPJMESA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000730106344 576716171 /nfs/dbraw/zinc/71/61/71/576716171.db2.gz YMIMTGFRFWWRLK-IBGZPJMESA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000730106344 576716174 /nfs/dbraw/zinc/71/61/74/576716174.db2.gz YMIMTGFRFWWRLK-IBGZPJMESA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000730106344 576716177 /nfs/dbraw/zinc/71/61/77/576716177.db2.gz YMIMTGFRFWWRLK-IBGZPJMESA-N 2 2 339.483 2.037 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571121 675169100 /nfs/dbraw/zinc/16/91/00/675169100.db2.gz BHWIQYKRUAQHOB-ULQDDVLXSA-N 2 2 349.438 2.138 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529860 675965142 /nfs/dbraw/zinc/96/51/42/675965142.db2.gz UKQFOEXZPSDSAI-GOEBONIOSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529860 675965143 /nfs/dbraw/zinc/96/51/43/675965143.db2.gz UKQFOEXZPSDSAI-GOEBONIOSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000972435045 678736758 /nfs/dbraw/zinc/73/67/58/678736758.db2.gz LIWPWYJBUAZOHZ-LJQANCHMSA-N 2 2 340.427 2.056 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000972435045 678736762 /nfs/dbraw/zinc/73/67/62/678736762.db2.gz LIWPWYJBUAZOHZ-LJQANCHMSA-N 2 2 340.427 2.056 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001028553674 681903331 /nfs/dbraw/zinc/90/33/31/681903331.db2.gz LKBMDDLFSMZSBT-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001028553674 681903335 /nfs/dbraw/zinc/90/33/35/681903335.db2.gz LKBMDDLFSMZSBT-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028553674 681903338 /nfs/dbraw/zinc/90/33/38/681903338.db2.gz LKBMDDLFSMZSBT-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028553674 681903341 /nfs/dbraw/zinc/90/33/41/681903341.db2.gz LKBMDDLFSMZSBT-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000992705942 683285943 /nfs/dbraw/zinc/28/59/43/683285943.db2.gz CWEAQFYONNEIBL-VNQPRFMTSA-N 2 2 336.867 2.312 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992705942 683285947 /nfs/dbraw/zinc/28/59/47/683285947.db2.gz CWEAQFYONNEIBL-VNQPRFMTSA-N 2 2 336.867 2.312 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC000992733944 683319963 /nfs/dbraw/zinc/31/99/63/683319963.db2.gz ZYOGZBQNOUYQCA-BHYGNILZSA-N 2 2 329.444 2.035 20 30 EEEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990712403 693276354 /nfs/dbraw/zinc/27/63/54/693276354.db2.gz NZRNBHFNBDVQAX-YLJYHZDGSA-N 2 2 336.439 2.393 20 30 EEEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990712403 693276358 /nfs/dbraw/zinc/27/63/58/693276358.db2.gz NZRNBHFNBDVQAX-YLJYHZDGSA-N 2 2 336.439 2.393 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088655587 1188062239 /nfs/dbraw/zinc/06/22/39/1188062239.db2.gz GYEMIUNBFYAPFT-CABCVRRESA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088655587 1188062241 /nfs/dbraw/zinc/06/22/41/1188062241.db2.gz GYEMIUNBFYAPFT-CABCVRRESA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001105522185 1188146578 /nfs/dbraw/zinc/14/65/78/1188146578.db2.gz CYPSLAULYATXDF-QZTJIDSGSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001105522185 1188146580 /nfs/dbraw/zinc/14/65/80/1188146580.db2.gz CYPSLAULYATXDF-QZTJIDSGSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105582909 1188197786 /nfs/dbraw/zinc/19/77/86/1188197786.db2.gz ZPMRLYGCWTVTCN-SFHVURJKSA-N 2 2 342.487 2.438 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001484146021 1191234308 /nfs/dbraw/zinc/23/43/08/1191234308.db2.gz PPRKEMSLOMAQCC-UHFFFAOYSA-N 2 2 338.883 2.324 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001484754941 1191509944 /nfs/dbraw/zinc/50/99/44/1191509944.db2.gz QOVYRCQQAHCTQW-HNNXBMFYSA-N 2 2 338.883 2.287 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001484754941 1191509946 /nfs/dbraw/zinc/50/99/46/1191509946.db2.gz QOVYRCQQAHCTQW-HNNXBMFYSA-N 2 2 338.883 2.287 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033415772 1194536828 /nfs/dbraw/zinc/53/68/28/1194536828.db2.gz KIYJEQFEJQOEEL-VQIMIIECSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033415772 1194536833 /nfs/dbraw/zinc/53/68/33/1194536833.db2.gz KIYJEQFEJQOEEL-VQIMIIECSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033415772 1194536837 /nfs/dbraw/zinc/53/68/37/1194536837.db2.gz KIYJEQFEJQOEEL-VQIMIIECSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033415772 1194536841 /nfs/dbraw/zinc/53/68/41/1194536841.db2.gz KIYJEQFEJQOEEL-VQIMIIECSA-N 2 2 340.471 2.075 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001034670662 1196491631 /nfs/dbraw/zinc/49/16/31/1196491631.db2.gz CFOCOYGBUAEFLV-SHTZXODSSA-N 2 2 337.851 2.402 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001034682121 1196531028 /nfs/dbraw/zinc/53/10/28/1196531028.db2.gz IIFWOYMXTITBPN-KKUMJFAQSA-N 2 2 336.867 2.215 20 30 EEEDLP C[NH+](C)CCCNC(=S)N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814845332 1199764328 /nfs/dbraw/zinc/76/43/28/1199764328.db2.gz KAGRXLALIVJQQA-LBPRGKRZSA-N 2 2 331.489 2.109 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001133237531 1200648386 /nfs/dbraw/zinc/64/83/86/1200648386.db2.gz FPDWEFQTSDGOMT-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891292 1208764107 /nfs/dbraw/zinc/76/41/07/1208764107.db2.gz OKLQRRKKKRXYPK-GJZGRUSLSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891292 1208764108 /nfs/dbraw/zinc/76/41/08/1208764108.db2.gz OKLQRRKKKRXYPK-GJZGRUSLSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061416 1208849399 /nfs/dbraw/zinc/84/93/99/1208849399.db2.gz TVOJXHJCXUYAGP-GOEBONIOSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061416 1208849401 /nfs/dbraw/zinc/84/94/01/1208849401.db2.gz TVOJXHJCXUYAGP-GOEBONIOSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061416 1208849404 /nfs/dbraw/zinc/84/94/04/1208849404.db2.gz TVOJXHJCXUYAGP-GOEBONIOSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061416 1208849409 /nfs/dbraw/zinc/84/94/09/1208849409.db2.gz TVOJXHJCXUYAGP-GOEBONIOSA-N 2 2 333.501 2.261 20 30 EEEDLP C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615375 1215258351 /nfs/dbraw/zinc/25/83/51/1215258351.db2.gz ZQQSLPAGMYPLRH-QGZVFWFLSA-N 2 2 328.460 2.172 20 30 EEEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960277513 1216466737 /nfs/dbraw/zinc/46/67/37/1216466737.db2.gz DNUBCKXVUYCLBD-KVSKMBFKSA-N 2 2 336.439 2.003 20 30 EEEDLP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000963582780 1217892981 /nfs/dbraw/zinc/89/29/81/1217892981.db2.gz UTUPEWFKRSPVLY-FHERZECASA-N 2 2 330.476 2.368 20 30 EEEDLP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000963582780 1217892985 /nfs/dbraw/zinc/89/29/85/1217892985.db2.gz UTUPEWFKRSPVLY-FHERZECASA-N 2 2 330.476 2.368 20 30 EEEDLP C#CC[NH2+]C1CC2(CC(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000964558611 1218450589 /nfs/dbraw/zinc/45/05/89/1218450589.db2.gz QGFWGLKRELRJMA-UHFFFAOYSA-N 2 2 334.423 2.136 20 30 EEEDLP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000968861225 1221629595 /nfs/dbraw/zinc/62/95/95/1221629595.db2.gz KEUOVWPNEHISKH-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000968861225 1221629599 /nfs/dbraw/zinc/62/95/99/1221629599.db2.gz KEUOVWPNEHISKH-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000968861225 1221629601 /nfs/dbraw/zinc/62/96/01/1221629601.db2.gz KEUOVWPNEHISKH-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001016928384 1226976722 /nfs/dbraw/zinc/97/67/22/1226976722.db2.gz XDASRJJROUGIOD-KRWDZBQOSA-N 2 2 337.427 2.038 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001039140459 1230355556 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PLVYTAPNBBJHEA-MAUKXSAKSA-N 2 2 342.418 2.170 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036748626 794763146 /nfs/dbraw/zinc/76/31/46/794763146.db2.gz IZTYDNMKQRKWGD-WBVHZDCISA-N 2 2 329.444 2.132 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036748626 794763149 /nfs/dbraw/zinc/76/31/49/794763149.db2.gz IZTYDNMKQRKWGD-WBVHZDCISA-N 2 2 329.444 2.132 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001106143923 795123242 /nfs/dbraw/zinc/12/32/42/795123242.db2.gz QHVMHGRTRGCRJP-BRSBDYLESA-N 2 2 342.487 2.024 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001093543283 795354045 /nfs/dbraw/zinc/35/40/45/795354045.db2.gz NBOCCJKLUKZTRI-KRWDZBQOSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093543283 795354049 /nfs/dbraw/zinc/35/40/49/795354049.db2.gz NBOCCJKLUKZTRI-KRWDZBQOSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001108010045 795502315 /nfs/dbraw/zinc/50/23/15/795502315.db2.gz LOONKSFJBHHXOO-PKOBYXMFSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001108010045 795502322 /nfs/dbraw/zinc/50/23/22/795502322.db2.gz LOONKSFJBHHXOO-PKOBYXMFSA-N 2 2 348.491 2.254 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416138 796203583 /nfs/dbraw/zinc/20/35/83/796203583.db2.gz FLCWJXJKQZFROW-YLJYHZDGSA-N 2 2 336.439 2.250 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416138 796203586 /nfs/dbraw/zinc/20/35/86/796203586.db2.gz FLCWJXJKQZFROW-YLJYHZDGSA-N 2 2 336.439 2.250 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C23CCC3)cc1 ZINC001078761873 796986335 /nfs/dbraw/zinc/98/63/35/796986335.db2.gz RRZBZHGRCRVHLY-IRXDYDNUSA-N 2 2 349.438 2.041 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570229 806619518 /nfs/dbraw/zinc/61/95/18/806619518.db2.gz LPDTWDXXNQGJLB-YOEHRIQHSA-N 2 2 336.867 2.231 20 30 EEEDLP C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177430915 798962788 /nfs/dbraw/zinc/96/27/88/798962788.db2.gz CFTLHMFRWOEFFJ-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP C=CC[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001178536415 799513453 /nfs/dbraw/zinc/51/34/53/799513453.db2.gz VLXHTOVDXRPYCI-KRWDZBQOSA-N 2 2 333.480 2.242 20 30 EEEDLP C=CC[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001178536415 799513457 /nfs/dbraw/zinc/51/34/57/799513457.db2.gz VLXHTOVDXRPYCI-KRWDZBQOSA-N 2 2 333.480 2.242 20 30 EEEDLP CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466503 799716399 /nfs/dbraw/zinc/71/63/99/799716399.db2.gz AFGWHKFIWDYBAD-UHFFFAOYSA-N 2 2 349.523 2.237 20 30 EEEDLP CCCCCCC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466503 799716401 /nfs/dbraw/zinc/71/64/01/799716401.db2.gz AFGWHKFIWDYBAD-UHFFFAOYSA-N 2 2 349.523 2.237 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001179689898 800039353 /nfs/dbraw/zinc/03/93/53/800039353.db2.gz QKKSANLZBLKNIL-UHFFFAOYSA-N 2 2 339.443 2.290 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001179901639 800151743 /nfs/dbraw/zinc/15/17/43/800151743.db2.gz DXDCSMVNEAKGNQ-UHFFFAOYSA-N 2 2 345.472 2.352 20 30 EEEDLP C=CCC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001003900979 800475043 /nfs/dbraw/zinc/47/50/43/800475043.db2.gz ZSKCQERLPKMPCM-UHFFFAOYSA-N 2 2 325.416 2.038 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782139 801244836 /nfs/dbraw/zinc/24/48/36/801244836.db2.gz OCABVUKOAOVDSA-OALUTQOASA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782139 801244840 /nfs/dbraw/zinc/24/48/40/801244840.db2.gz OCABVUKOAOVDSA-OALUTQOASA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782139 801244844 /nfs/dbraw/zinc/24/48/44/801244844.db2.gz OCABVUKOAOVDSA-OALUTQOASA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782139 801244847 /nfs/dbraw/zinc/24/48/47/801244847.db2.gz OCABVUKOAOVDSA-OALUTQOASA-N 2 2 331.504 2.340 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001182888844 801386899 /nfs/dbraw/zinc/38/68/99/801386899.db2.gz BPTJTUKTAQQGHG-OXQOHEQNSA-N 2 2 340.471 2.445 20 30 EEEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399115 802009887 /nfs/dbraw/zinc/00/98/87/802009887.db2.gz HXLPUVWCKIKZGJ-CRAIPNDOSA-N 2 2 338.455 2.354 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCCC1 ZINC001004439083 802046975 /nfs/dbraw/zinc/04/69/75/802046975.db2.gz RGZRJTHPCZZMCD-SFHVURJKSA-N 2 2 346.519 2.477 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCCC1 ZINC001004439083 802046982 /nfs/dbraw/zinc/04/69/82/802046982.db2.gz RGZRJTHPCZZMCD-SFHVURJKSA-N 2 2 346.519 2.477 20 30 EEEDLP C=CCC[N@@H+](CCO)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001098406455 802143328 /nfs/dbraw/zinc/14/33/28/802143328.db2.gz PQKBXGNMJZSAPG-UHFFFAOYSA-N 2 2 342.443 2.038 20 30 EEEDLP C=CCC[N@H+](CCO)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001098406455 802143330 /nfs/dbraw/zinc/14/33/30/802143330.db2.gz PQKBXGNMJZSAPG-UHFFFAOYSA-N 2 2 342.443 2.038 20 30 EEEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001184883330 802225015 /nfs/dbraw/zinc/22/50/15/802225015.db2.gz ULGGWFZVYCYWTI-FUHWJXTLSA-N 2 2 336.439 2.193 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644988 802577330 /nfs/dbraw/zinc/57/73/30/802577330.db2.gz LURSPZHCPQDEBB-OKZBNKHCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644988 802577335 /nfs/dbraw/zinc/57/73/35/802577335.db2.gz LURSPZHCPQDEBB-OKZBNKHCSA-N 2 2 342.487 2.192 20 30 EEEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001438719046 1091244550 /nfs/dbraw/zinc/24/45/50/1091244550.db2.gz YCMWLZXFRPTZDO-AWEZNQCLSA-N 2 2 345.472 2.233 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000050797909 214071303 /nfs/dbraw/zinc/07/13/03/214071303.db2.gz YPTVODGJLPGZFU-UHFFFAOYSA-N 2 2 340.471 2.041 20 30 EEEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368664301 166101390 /nfs/dbraw/zinc/10/13/90/166101390.db2.gz VSUUPVADVWZKPS-GOSISDBHSA-N 2 2 341.459 2.190 20 30 EEEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368664301 166101392 /nfs/dbraw/zinc/10/13/92/166101392.db2.gz VSUUPVADVWZKPS-GOSISDBHSA-N 2 2 341.459 2.190 20 30 EEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131403960 287130900 /nfs/dbraw/zinc/13/09/00/287130900.db2.gz FOHNTMIQVUPHCQ-KBXCAEBGSA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131403960 287130901 /nfs/dbraw/zinc/13/09/01/287130901.db2.gz FOHNTMIQVUPHCQ-KBXCAEBGSA-N 2 2 326.444 2.033 20 30 EEEDLP CSC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271871473 269806551 /nfs/dbraw/zinc/80/65/51/269806551.db2.gz MUQYSJRPJVBYQW-SFHVURJKSA-N 2 2 333.501 2.226 20 30 EEEDLP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000331576608 270019024 /nfs/dbraw/zinc/01/90/24/270019024.db2.gz QQYMNLYCHZKPNA-LJQANCHMSA-N 2 2 340.471 2.470 20 30 EEEDLP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000331576608 270019025 /nfs/dbraw/zinc/01/90/25/270019025.db2.gz QQYMNLYCHZKPNA-LJQANCHMSA-N 2 2 340.471 2.470 20 30 EEEDLP Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000534325755 270022634 /nfs/dbraw/zinc/02/26/34/270022634.db2.gz LNCUQHBAXFWKOA-UHFFFAOYSA-N 2 2 349.438 2.342 20 30 EEEDLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000268695745 273585855 /nfs/dbraw/zinc/58/58/55/273585855.db2.gz SSJPGGXRNWKXMT-INIZCTEOSA-N 2 2 344.484 2.091 20 30 EEEDLP CC[NH+]=C(NCCc1nccs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160082110 278167552 /nfs/dbraw/zinc/16/75/52/278167552.db2.gz ICTLLFPKDNBVOV-LSDHHAIUSA-N 2 2 346.504 2.431 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cnc12 ZINC000550156749 318447780 /nfs/dbraw/zinc/44/77/80/318447780.db2.gz GUKXPXGLYXVTRE-UHFFFAOYSA-N 2 2 343.394 2.136 20 30 EEEDLP COC(=O)c1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267010148 464903800 /nfs/dbraw/zinc/90/38/00/464903800.db2.gz MBLOAZZPSMULGV-UHFFFAOYSA-N 2 2 341.411 2.372 20 30 EEEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000326381618 465038287 /nfs/dbraw/zinc/03/82/87/465038287.db2.gz INPKEUAWSCIPMF-LJQANCHMSA-N 2 2 343.471 2.248 20 30 EEEDLP C=CCOc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1OC ZINC000076897701 462919964 /nfs/dbraw/zinc/91/99/64/462919964.db2.gz AJVSQYWATKODPL-MRXNPFEDSA-N 2 2 334.460 2.460 20 30 EEEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000124427842 463422030 /nfs/dbraw/zinc/42/20/30/463422030.db2.gz PLTGYFOSQUPVJI-UHFFFAOYSA-N 2 2 331.807 2.369 20 30 EEEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000124427842 463422033 /nfs/dbraw/zinc/42/20/33/463422033.db2.gz PLTGYFOSQUPVJI-UHFFFAOYSA-N 2 2 331.807 2.369 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247881270 464711771 /nfs/dbraw/zinc/71/17/71/464711771.db2.gz BTSCCQZWHURWGO-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247881270 464711777 /nfs/dbraw/zinc/71/17/77/464711777.db2.gz BTSCCQZWHURWGO-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247881270 464711781 /nfs/dbraw/zinc/71/17/81/464711781.db2.gz BTSCCQZWHURWGO-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247881270 464711786 /nfs/dbraw/zinc/71/17/86/464711786.db2.gz BTSCCQZWHURWGO-KYJSFNMBSA-N 2 2 326.444 2.301 20 30 EEEDLP CC1CCC(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000267034372 464911636 /nfs/dbraw/zinc/91/16/36/464911636.db2.gz WHWVYCBBOLCTFC-UHFFFAOYSA-N 2 2 346.475 2.080 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330197042 465565887 /nfs/dbraw/zinc/56/58/87/465565887.db2.gz RGMIZHWEKSIPMF-XUWVNRHRSA-N 2 2 333.480 2.068 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330197042 465565891 /nfs/dbraw/zinc/56/58/91/465565891.db2.gz RGMIZHWEKSIPMF-XUWVNRHRSA-N 2 2 333.480 2.068 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330197042 465565893 /nfs/dbraw/zinc/56/58/93/465565893.db2.gz RGMIZHWEKSIPMF-XUWVNRHRSA-N 2 2 333.480 2.068 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330197042 465565899 /nfs/dbraw/zinc/56/58/99/465565899.db2.gz 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ZINC001177152182 798778035 /nfs/dbraw/zinc/77/80/35/798778035.db2.gz YQDBTYYLVIVYSX-RBUKOAKNSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001177152182 798778037 /nfs/dbraw/zinc/77/80/37/798778037.db2.gz YQDBTYYLVIVYSX-RBUKOAKNSA-N 2 2 349.519 2.130 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177344896 798879027 /nfs/dbraw/zinc/87/90/27/798879027.db2.gz AMQUGJFIPBUJOR-IAGOWNOFSA-N 2 2 328.460 2.145 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177344896 798879034 /nfs/dbraw/zinc/87/90/34/798879034.db2.gz AMQUGJFIPBUJOR-IAGOWNOFSA-N 2 2 328.460 2.145 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001178747266 799609275 /nfs/dbraw/zinc/60/92/75/799609275.db2.gz SFPLUMQVIBYOCJ-RDJZCZTQSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001184438524 802019306 /nfs/dbraw/zinc/01/93/06/802019306.db2.gz ZCKBTTYUGKQQSB-CVEARBPZSA-N 2 2 330.476 2.022 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004439647 802048831 /nfs/dbraw/zinc/04/88/31/802048831.db2.gz ZWIDOCYCJXMCEK-MSOLQXFVSA-N 2 2 332.492 2.086 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004439647 802048834 /nfs/dbraw/zinc/04/88/34/802048834.db2.gz ZWIDOCYCJXMCEK-MSOLQXFVSA-N 2 2 332.492 2.086 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004439647 802048836 /nfs/dbraw/zinc/04/88/36/802048836.db2.gz ZWIDOCYCJXMCEK-MSOLQXFVSA-N 2 2 332.492 2.086 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004439647 802048844 /nfs/dbraw/zinc/04/88/44/802048844.db2.gz ZWIDOCYCJXMCEK-MSOLQXFVSA-N 2 2 332.492 2.086 20 30 EEEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001113255022 808576254 /nfs/dbraw/zinc/57/62/54/808576254.db2.gz YSYNUADCVSEVEI-SFHVURJKSA-N 2 2 339.524 2.210 20 30 EEEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001113255022 808576263 /nfs/dbraw/zinc/57/62/63/808576263.db2.gz YSYNUADCVSEVEI-SFHVURJKSA-N 2 2 339.524 2.210 20 30 EEEDLP C=C(Br)C[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001437760810 1090334351 /nfs/dbraw/zinc/33/43/51/1090334351.db2.gz HWNXJOFSJFSION-ZDUSSCGKSA-N 2 2 346.313 2.065 20 30 EEEDLP C=C(Br)C[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001437760810 1090334356 /nfs/dbraw/zinc/33/43/56/1090334356.db2.gz HWNXJOFSJFSION-ZDUSSCGKSA-N 2 2 346.313 2.065 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437760810 1090334362 /nfs/dbraw/zinc/33/43/62/1090334362.db2.gz HWNXJOFSJFSION-ZDUSSCGKSA-N 2 2 346.313 2.065 20 30 EEEDLP C=C(Br)C[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437760810 1090334367 /nfs/dbraw/zinc/33/43/67/1090334367.db2.gz HWNXJOFSJFSION-ZDUSSCGKSA-N 2 2 346.313 2.065 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001441655340 1095615262 /nfs/dbraw/zinc/61/52/62/1095615262.db2.gz XVEXKIZRMHVAPD-MRXNPFEDSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001441655340 1095615266 /nfs/dbraw/zinc/61/52/66/1095615266.db2.gz XVEXKIZRMHVAPD-MRXNPFEDSA-N 2 2 327.900 2.442 20 30 EEEDLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001442557284 1096921070 /nfs/dbraw/zinc/92/10/70/1096921070.db2.gz UGWHHSFFFOTZEW-UHFFFAOYSA-N 2 2 345.472 2.153 20 30 EEEDLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001442557284 1096921075 /nfs/dbraw/zinc/92/10/75/1096921075.db2.gz UGWHHSFFFOTZEW-UHFFFAOYSA-N 2 2 345.472 2.153 20 30 EEEDLP N#Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(N)=O)cc1 ZINC000356863955 283185994 /nfs/dbraw/zinc/18/59/94/283185994.db2.gz NYABHILXLGPZDW-LJQANCHMSA-N 2 2 340.471 2.471 20 30 EEEDLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429247404 276059221 /nfs/dbraw/zinc/05/92/21/276059221.db2.gz JGVGTYQUROWAST-SFHVURJKSA-N 2 2 339.443 2.256 20 30 EEEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429247404 276059222 /nfs/dbraw/zinc/05/92/22/276059222.db2.gz JGVGTYQUROWAST-SFHVURJKSA-N 2 2 339.443 2.256 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865078 276894968 /nfs/dbraw/zinc/89/49/68/276894968.db2.gz XBCMFRZAFFQGAO-QUCCMNQESA-N 3 2 327.472 2.482 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000581615938 324291062 /nfs/dbraw/zinc/29/10/62/324291062.db2.gz XSXALFHDGBIVJR-OAHLLOKOSA-N 2 2 334.383 2.331 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000581615938 324291067 /nfs/dbraw/zinc/29/10/67/324291067.db2.gz XSXALFHDGBIVJR-OAHLLOKOSA-N 2 2 334.383 2.331 20 30 EEEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000336879302 465075231 /nfs/dbraw/zinc/07/52/31/465075231.db2.gz LZIAWSFXVZLBRS-UHFFFAOYSA-N 2 2 327.407 2.415 20 30 EEEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000579124427 468313934 /nfs/dbraw/zinc/31/39/34/468313934.db2.gz JXWVZOFOQAAEBH-HNNXBMFYSA-N 2 2 339.443 2.050 20 30 EEEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000579124427 468313940 /nfs/dbraw/zinc/31/39/40/468313940.db2.gz JXWVZOFOQAAEBH-HNNXBMFYSA-N 2 2 339.443 2.050 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000135059185 463112360 /nfs/dbraw/zinc/11/23/60/463112360.db2.gz FKXSJYSHVPQYGR-GOSISDBHSA-N 2 2 331.891 2.403 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000135059185 463112365 /nfs/dbraw/zinc/11/23/65/463112365.db2.gz FKXSJYSHVPQYGR-GOSISDBHSA-N 2 2 331.891 2.403 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000069112087 463208417 /nfs/dbraw/zinc/20/84/17/463208417.db2.gz UCHFYFIRJIPEAX-UHFFFAOYSA-N 2 2 341.459 2.482 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000150852242 463440435 /nfs/dbraw/zinc/44/04/35/463440435.db2.gz QKCCZBRSWNSJKG-MJGOQNOKSA-N 2 2 338.455 2.081 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000150852242 463440439 /nfs/dbraw/zinc/44/04/39/463440439.db2.gz QKCCZBRSWNSJKG-MJGOQNOKSA-N 2 2 338.455 2.081 20 30 EEEDLP [NH2+]=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CCOc2ccccc21 ZINC000083030559 463531705 /nfs/dbraw/zinc/53/17/05/463531705.db2.gz OVKJLZOEEQPHIX-INIZCTEOSA-N 2 2 335.411 2.305 20 30 EEEDLP Cc1noc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000266261793 464770305 /nfs/dbraw/zinc/77/03/05/464770305.db2.gz DZWOPZWZHAEFDH-UHFFFAOYSA-N 2 2 329.404 2.201 20 30 EEEDLP CC(C)(C)CC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330268821 465591432 /nfs/dbraw/zinc/59/14/32/465591432.db2.gz IWSUHMGKXKLTHQ-OAHLLOKOSA-N 2 2 333.480 2.166 20 30 EEEDLP C[N@H+](Cc1cccc(OCCCC#N)c1)C1CC[NH+](CCO)CC1 ZINC000353367509 465835457 /nfs/dbraw/zinc/83/54/57/465835457.db2.gz ZPFIZNYSYWPYRV-UHFFFAOYSA-N 2 2 331.460 2.258 20 30 EEEDLP C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC[NH+](CCO)CC1 ZINC000353367509 465835464 /nfs/dbraw/zinc/83/54/64/465835464.db2.gz ZPFIZNYSYWPYRV-UHFFFAOYSA-N 2 2 331.460 2.258 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000366721925 465897036 /nfs/dbraw/zinc/89/70/36/465897036.db2.gz WVTJJTUNXWXVFK-OAHLLOKOSA-N 2 2 331.464 2.019 20 30 EEEDLP C#CCCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000367472174 466360506 /nfs/dbraw/zinc/36/05/06/466360506.db2.gz FVUIJKQNFSZLJB-FQEVSTJZSA-N 2 2 341.499 2.301 20 30 EEEDLP C#CCCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000367472174 466360512 /nfs/dbraw/zinc/36/05/12/466360512.db2.gz FVUIJKQNFSZLJB-FQEVSTJZSA-N 2 2 341.499 2.301 20 30 EEEDLP N#CC1(CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCCC1 ZINC000411226898 466788174 /nfs/dbraw/zinc/78/81/74/466788174.db2.gz PUUPJJJXWLZTKH-UHFFFAOYSA-N 2 2 332.492 2.091 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000439430772 467567263 /nfs/dbraw/zinc/56/72/63/467567263.db2.gz NFWZLALCKJQYIM-KRWDZBQOSA-N 2 2 332.879 2.423 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000439430772 467567265 /nfs/dbraw/zinc/56/72/65/467567265.db2.gz NFWZLALCKJQYIM-KRWDZBQOSA-N 2 2 332.879 2.423 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576766760 468172081 /nfs/dbraw/zinc/17/20/81/468172081.db2.gz VPKTULKOXZHNSK-JQHSSLGASA-N 2 2 328.460 2.047 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576766760 468172086 /nfs/dbraw/zinc/17/20/86/468172086.db2.gz VPKTULKOXZHNSK-JQHSSLGASA-N 2 2 328.460 2.047 20 30 EEEDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000591726114 468511189 /nfs/dbraw/zinc/51/11/89/468511189.db2.gz RYGKPZLCDXGTNL-GOSISDBHSA-N 2 2 339.487 2.357 20 30 EEEDLP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000591726114 468511192 /nfs/dbraw/zinc/51/11/92/468511192.db2.gz RYGKPZLCDXGTNL-GOSISDBHSA-N 2 2 339.487 2.357 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988878 469131918 /nfs/dbraw/zinc/13/19/18/469131918.db2.gz SKFBSZYGXQSXCC-SJORKVTESA-N 2 2 340.427 2.095 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988878 469131922 /nfs/dbraw/zinc/13/19/22/469131922.db2.gz SKFBSZYGXQSXCC-SJORKVTESA-N 2 2 340.427 2.095 20 30 EEEDLP C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000564188588 469250560 /nfs/dbraw/zinc/25/05/60/469250560.db2.gz MSASPVZUESWUSV-ZIAGYGMSSA-N 2 2 347.488 2.045 20 30 EEEDLP C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564188588 469250563 /nfs/dbraw/zinc/25/05/63/469250563.db2.gz MSASPVZUESWUSV-ZIAGYGMSSA-N 2 2 347.488 2.045 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644548906 470979389 /nfs/dbraw/zinc/97/93/89/470979389.db2.gz DUHXYNXNEAMMBD-FQEVSTJZSA-N 3 2 331.504 2.109 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644548906 470979393 /nfs/dbraw/zinc/97/93/93/470979393.db2.gz DUHXYNXNEAMMBD-FQEVSTJZSA-N 3 2 331.504 2.109 20 30 EEEDLP C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382778 471735567 /nfs/dbraw/zinc/73/55/67/471735567.db2.gz XMLGZIHAKXRRGU-ROUUACIJSA-N 2 2 342.487 2.407 20 30 EEEDLP C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382778 471735573 /nfs/dbraw/zinc/73/55/73/471735573.db2.gz XMLGZIHAKXRRGU-ROUUACIJSA-N 2 2 342.487 2.407 20 30 EEEDLP C#CC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000749155418 577971874 /nfs/dbraw/zinc/97/18/74/577971874.db2.gz QXFUKXFYQYCVGN-UHFFFAOYSA-N 2 2 349.478 2.439 20 30 EEEDLP C#CC[N@H+](CC)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000749155418 577971875 /nfs/dbraw/zinc/97/18/75/577971875.db2.gz QXFUKXFYQYCVGN-UHFFFAOYSA-N 2 2 349.478 2.439 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000823919736 608508378 /nfs/dbraw/zinc/50/83/78/608508378.db2.gz OWBIGAGWKBAYSK-GOSISDBHSA-N 2 2 338.459 2.484 20 30 EEEDLP 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/nfs/dbraw/zinc/55/80/94/792558094.db2.gz RJOWLVMZDRJPRD-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC001086929477 793056216 /nfs/dbraw/zinc/05/62/16/793056216.db2.gz JDAXIEXCQMBNQN-SJORKVTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC001086929474 793056774 /nfs/dbraw/zinc/05/67/74/793056774.db2.gz JDAXIEXCQMBNQN-DLBZAZTESA-N 2 2 342.487 2.335 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934652 793073624 /nfs/dbraw/zinc/07/36/24/793073624.db2.gz WPGJVLZLQNECDX-KRWDZBQOSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676921 794223290 /nfs/dbraw/zinc/22/32/90/794223290.db2.gz PVDRELLCIBRFMD-YUELXQCFSA-N 2 2 336.867 2.197 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676921 794223303 /nfs/dbraw/zinc/22/33/03/794223303.db2.gz PVDRELLCIBRFMD-YUELXQCFSA-N 2 2 336.867 2.197 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]Cc3ccccc3C#N)ccn12 ZINC001127292949 795222964 /nfs/dbraw/zinc/22/29/64/795222964.db2.gz PITGPWRNTQAHGL-UHFFFAOYSA-N 2 2 333.395 2.034 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342821 795422938 /nfs/dbraw/zinc/42/29/38/795422938.db2.gz FJBJYVVTARSWRU-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342821 795422941 /nfs/dbraw/zinc/42/29/41/795422941.db2.gz FJBJYVVTARSWRU-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@H]21 ZINC001036841685 795422980 /nfs/dbraw/zinc/42/29/80/795422980.db2.gz BPPSKXVSALLHHZ-SJLPKXTDSA-N 2 2 338.455 2.294 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@H]21 ZINC001036841685 795422986 /nfs/dbraw/zinc/42/29/86/795422986.db2.gz BPPSKXVSALLHHZ-SJLPKXTDSA-N 2 2 338.455 2.294 20 30 EEEDLP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC001000203173 795491121 /nfs/dbraw/zinc/49/11/21/795491121.db2.gz OCNRWEGKMCUJRU-MRXNPFEDSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001081195876 796683258 /nfs/dbraw/zinc/68/32/58/796683258.db2.gz YYCAFYSOIDIJEM-AYOQOUSVSA-N 2 2 338.455 2.359 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081195876 796683265 /nfs/dbraw/zinc/68/32/65/796683265.db2.gz YYCAFYSOIDIJEM-AYOQOUSVSA-N 2 2 338.455 2.359 20 30 EEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001178722718 799581127 /nfs/dbraw/zinc/58/11/27/799581127.db2.gz XAMNUKOFYIODLS-XDNAFOTISA-N 2 2 342.487 2.309 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085382680 800432745 /nfs/dbraw/zinc/43/27/45/800432745.db2.gz QCWGYBSYBUNMJJ-HZPDHXFCSA-N 2 2 325.416 2.084 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399124 802009377 /nfs/dbraw/zinc/00/93/77/802009377.db2.gz HXLPUVWCKIKZGJ-QAPCUYQASA-N 2 2 338.455 2.354 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004439649 802048903 /nfs/dbraw/zinc/04/89/03/802048903.db2.gz ZWIDOCYCJXMCEK-ROUUACIJSA-N 2 2 332.492 2.086 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004439649 802048908 /nfs/dbraw/zinc/04/89/08/802048908.db2.gz ZWIDOCYCJXMCEK-ROUUACIJSA-N 2 2 332.492 2.086 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004439649 802048915 /nfs/dbraw/zinc/04/89/15/802048915.db2.gz ZWIDOCYCJXMCEK-ROUUACIJSA-N 2 2 332.492 2.086 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004439649 802048918 /nfs/dbraw/zinc/04/89/18/802048918.db2.gz ZWIDOCYCJXMCEK-ROUUACIJSA-N 2 2 332.492 2.086 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086129517 802230750 /nfs/dbraw/zinc/23/07/50/802230750.db2.gz YZEOCDARPKAUNT-MCIONIFRSA-N 2 2 336.867 2.060 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086129517 802230758 /nfs/dbraw/zinc/23/07/58/802230758.db2.gz YZEOCDARPKAUNT-MCIONIFRSA-N 2 2 336.867 2.060 20 30 EEEDLP C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245560407 160242933 /nfs/dbraw/zinc/24/29/33/160242933.db2.gz BVZQWEUFMQACIE-GXTWGEPZSA-N 2 2 329.429 2.338 20 30 EEEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245560407 160242934 /nfs/dbraw/zinc/24/29/34/160242934.db2.gz BVZQWEUFMQACIE-GXTWGEPZSA-N 2 2 329.429 2.338 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000246219966 160268753 /nfs/dbraw/zinc/26/87/53/160268753.db2.gz QKCCZBRSWNSJKG-PKOBYXMFSA-N 2 2 338.455 2.081 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000246219966 160268754 /nfs/dbraw/zinc/26/87/54/160268754.db2.gz QKCCZBRSWNSJKG-PKOBYXMFSA-N 2 2 338.455 2.081 20 30 EEEDLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)cc(C#N)n1 ZINC000342786083 161090802 /nfs/dbraw/zinc/09/08/02/161090802.db2.gz VEPGLPYGGPWTSG-UHFFFAOYSA-N 2 2 327.476 2.257 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)cc1 ZINC000272558153 268115718 /nfs/dbraw/zinc/11/57/18/268115718.db2.gz MZTWCEXNFKIERX-SFHVURJKSA-N 2 2 345.406 2.491 20 30 EEEDLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C2CC[NH+](C3CC3)CC2)no1 ZINC000328698603 465103213 /nfs/dbraw/zinc/10/32/13/465103213.db2.gz LUGJALXYJSEXBL-UHFFFAOYSA-N 2 2 335.452 2.197 20 30 EEEDLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329314607 465296881 /nfs/dbraw/zinc/29/68/81/465296881.db2.gz RUFKNNKPNUSCAV-HNNXBMFYSA-N 2 2 327.432 2.166 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000329724546 465416661 /nfs/dbraw/zinc/41/66/61/465416661.db2.gz FZEPPWMFKFJFEB-CABCVRRESA-N 2 2 331.464 2.131 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000329724546 465416665 /nfs/dbraw/zinc/41/66/65/465416665.db2.gz FZEPPWMFKFJFEB-CABCVRRESA-N 2 2 331.464 2.131 20 30 EEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000123812098 463369808 /nfs/dbraw/zinc/36/98/08/463369808.db2.gz DHIDDWDAMZAVRF-INIZCTEOSA-N 2 2 343.475 2.017 20 30 EEEDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000184977595 463728660 /nfs/dbraw/zinc/72/86/60/463728660.db2.gz JBBSNUWHRLPBLP-GOSISDBHSA-N 2 2 328.460 2.031 20 30 EEEDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000184977595 463728666 /nfs/dbraw/zinc/72/86/66/463728666.db2.gz JBBSNUWHRLPBLP-GOSISDBHSA-N 2 2 328.460 2.031 20 30 EEEDLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537158 464492447 /nfs/dbraw/zinc/49/24/47/464492447.db2.gz YDVVIMIRJDIRLP-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537158 464492454 /nfs/dbraw/zinc/49/24/54/464492454.db2.gz YDVVIMIRJDIRLP-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537158 464492461 /nfs/dbraw/zinc/49/24/61/464492461.db2.gz YDVVIMIRJDIRLP-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537158 464492470 /nfs/dbraw/zinc/49/24/70/464492470.db2.gz YDVVIMIRJDIRLP-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](C#N)CCC#N ZINC000285469647 464576438 /nfs/dbraw/zinc/57/64/38/464576438.db2.gz NOWPWEHSVBJSFZ-HXUWFJFHSA-N 2 2 339.487 2.180 20 30 EEEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](C#N)CCC#N ZINC000285469647 464576440 /nfs/dbraw/zinc/57/64/40/464576440.db2.gz NOWPWEHSVBJSFZ-HXUWFJFHSA-N 2 2 339.487 2.180 20 30 EEEDLP C=CCOc1ccccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177139094 464940537 /nfs/dbraw/zinc/94/05/37/464940537.db2.gz QJCVATZZYGFNOV-UHFFFAOYSA-N 2 2 331.460 2.007 20 30 EEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000356880784 465597073 /nfs/dbraw/zinc/59/70/73/465597073.db2.gz VLMZPFGIUAFOLO-KRWDZBQOSA-N 2 2 339.524 2.279 20 30 EEEDLP CN(C(=O)NCCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000331120287 465942329 /nfs/dbraw/zinc/94/23/29/465942329.db2.gz ASPGHIVQKAPOGW-IAGOWNOFSA-N 2 2 335.496 2.083 20 30 EEEDLP CN(C(=O)NCCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000331120287 465942333 /nfs/dbraw/zinc/94/23/33/465942333.db2.gz ASPGHIVQKAPOGW-IAGOWNOFSA-N 2 2 335.496 2.083 20 30 EEEDLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1C[C@H](C)O ZINC000331329614 466033963 /nfs/dbraw/zinc/03/39/63/466033963.db2.gz ODHZJAXSEODWNA-HOCLYGCPSA-N 2 2 334.464 2.329 20 30 EEEDLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1C[C@H](C)O ZINC000331329614 466033969 /nfs/dbraw/zinc/03/39/69/466033969.db2.gz ODHZJAXSEODWNA-HOCLYGCPSA-N 2 2 334.464 2.329 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000361787588 466288655 /nfs/dbraw/zinc/28/86/55/466288655.db2.gz IXRGBESMOLEUEX-ZIFCJYIRSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000361787588 466288665 /nfs/dbraw/zinc/28/86/65/466288665.db2.gz IXRGBESMOLEUEX-ZIFCJYIRSA-N 2 2 329.444 2.250 20 30 EEEDLP CC1(C#N)CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000332490291 466543228 /nfs/dbraw/zinc/54/32/28/466543228.db2.gz UTZPJGNMOGURMC-UHFFFAOYSA-N 2 2 346.500 2.018 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424300992 467025307 /nfs/dbraw/zinc/02/53/07/467025307.db2.gz YYJJWYAGDACNEJ-WMZOPIPTSA-N 2 2 325.460 2.464 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000424300992 467025310 /nfs/dbraw/zinc/02/53/10/467025310.db2.gz YYJJWYAGDACNEJ-WMZOPIPTSA-N 2 2 325.460 2.464 20 30 EEEDLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 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ZINC001193292624 1282427498 /nfs/dbraw/zinc/42/74/98/1282427498.db2.gz QDXLCGIMZFYDNS-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193292624 1282427502 /nfs/dbraw/zinc/42/75/02/1282427502.db2.gz QDXLCGIMZFYDNS-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196341418 1284008553 /nfs/dbraw/zinc/00/85/53/1284008553.db2.gz OMPCAZPRFSKNIO-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196341418 1284008565 /nfs/dbraw/zinc/00/85/65/1284008565.db2.gz OMPCAZPRFSKNIO-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCO1 ZINC001201382936 1289546959 /nfs/dbraw/zinc/54/69/59/1289546959.db2.gz ZJZJTTBUTIVFJJ-JKSUJKDBSA-N 2 2 346.475 2.003 20 30 EEEDLP C#CCCOC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000859078542 1294311830 /nfs/dbraw/zinc/31/18/30/1294311830.db2.gz BJRXVOHZHDDGAR-ZWKOTPCHSA-N 2 2 335.492 2.415 20 30 EEEDLP C#CCCOC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000859078542 1294311838 /nfs/dbraw/zinc/31/18/38/1294311838.db2.gz BJRXVOHZHDDGAR-ZWKOTPCHSA-N 2 2 335.492 2.415 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072971912 1296394969 /nfs/dbraw/zinc/39/49/69/1296394969.db2.gz BKOSPXBCNDNRLX-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072971912 1296394986 /nfs/dbraw/zinc/39/49/86/1296394986.db2.gz BKOSPXBCNDNRLX-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215189748 1296757553 /nfs/dbraw/zinc/75/75/53/1296757553.db2.gz HLFBSRQJDJAGTA-RHSMWYFYSA-N 2 2 331.460 2.260 20 30 EEEDLP N#Cc1nc2ccc(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)cc2s1 ZINC001218910234 1297861101 /nfs/dbraw/zinc/86/11/01/1297861101.db2.gz GMKSYEUESKBZLD-CYBMUJFWSA-N 2 2 337.408 2.379 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010288 1297904618 /nfs/dbraw/zinc/90/46/18/1297904618.db2.gz KNPDXNFWZVMOMR-ZWKOTPCHSA-N 2 2 348.491 2.143 20 30 EEEDLP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010288 1297904625 /nfs/dbraw/zinc/90/46/25/1297904625.db2.gz KNPDXNFWZVMOMR-ZWKOTPCHSA-N 2 2 348.491 2.143 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098083 1300296512 /nfs/dbraw/zinc/29/65/12/1300296512.db2.gz SJDHRKUVLKOFJC-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098083 1300296520 /nfs/dbraw/zinc/29/65/20/1300296520.db2.gz SJDHRKUVLKOFJC-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001228150493 1302128781 /nfs/dbraw/zinc/12/87/81/1302128781.db2.gz HWPDYXSDKGRAAK-GUDVDZBRSA-N 2 2 349.519 2.223 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001228150493 1302128795 /nfs/dbraw/zinc/12/87/95/1302128795.db2.gz HWPDYXSDKGRAAK-GUDVDZBRSA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001121318501 1309980053 /nfs/dbraw/zinc/98/00/53/1309980053.db2.gz JTFLELJBNQNRDB-AKJOHPPZSA-N 2 2 342.487 2.429 20 30 EEEDLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769957 1310422181 /nfs/dbraw/zinc/42/21/81/1310422181.db2.gz SGYZSZURTSYKMX-MOXGXCLJSA-N 2 2 338.455 2.128 20 30 EEEDLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769957 1310422191 /nfs/dbraw/zinc/42/21/91/1310422191.db2.gz SGYZSZURTSYKMX-MOXGXCLJSA-N 2 2 338.455 2.128 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001151406575 1316524314 /nfs/dbraw/zinc/52/43/14/1316524314.db2.gz QEGMIXSXAXRKFF-UHFFFAOYSA-N 2 2 348.491 2.214 20 30 EEEDLP N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155377912 1317570827 /nfs/dbraw/zinc/57/08/27/1317570827.db2.gz WMMLEDSGKBIPDY-GFCCVEGCSA-N 2 2 340.258 2.119 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC001160992930 1320346806 /nfs/dbraw/zinc/34/68/06/1320346806.db2.gz UYVVYOMQXTYLGP-UHFFFAOYSA-N 2 2 339.424 2.406 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)s1 ZINC001162427668 1320854043 /nfs/dbraw/zinc/85/40/43/1320854043.db2.gz KOFBKFAOLBFOHX-UHFFFAOYSA-N 2 2 339.424 2.177 20 30 EEEDLP CO/N=C/c1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc(F)c1F ZINC001164217291 1321322180 /nfs/dbraw/zinc/32/21/80/1321322180.db2.gz TZYSDOUKYOMYLO-SRZZPIQSSA-N 2 2 340.418 2.383 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001164312290 1321347348 /nfs/dbraw/zinc/34/73/48/1321347348.db2.gz MODSJOZMVITOEU-OKZBNKHCSA-N 2 2 329.444 2.325 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001164312290 1321347352 /nfs/dbraw/zinc/34/73/52/1321347352.db2.gz MODSJOZMVITOEU-OKZBNKHCSA-N 2 2 329.444 2.325 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165837097 1321595500 /nfs/dbraw/zinc/59/55/00/1321595500.db2.gz SYBHWTMDNAHFFG-AWEZNQCLSA-N 2 2 336.867 2.074 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203669059 1321936377 /nfs/dbraw/zinc/93/63/77/1321936377.db2.gz KQKRQVBTIVPDDF-IRXDYDNUSA-N 2 2 330.476 2.336 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001208737975 1324644955 /nfs/dbraw/zinc/64/49/55/1324644955.db2.gz FOIHQSZHZNETAA-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001208737975 1324644964 /nfs/dbraw/zinc/64/49/64/1324644964.db2.gz FOIHQSZHZNETAA-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001382166120 1382021594 /nfs/dbraw/zinc/02/15/94/1382021594.db2.gz VEBMNNQMHKIQMC-AWEZNQCLSA-N 2 2 345.472 2.233 20 30 EEEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001755075963 1407087062 /nfs/dbraw/zinc/08/70/62/1407087062.db2.gz QFPQCGWWRYEMEV-IBGZPJMESA-N 2 2 327.472 2.201 20 30 EEEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001755075963 1407087071 /nfs/dbraw/zinc/08/70/71/1407087071.db2.gz QFPQCGWWRYEMEV-IBGZPJMESA-N 2 2 327.472 2.201 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934116 1401811228 /nfs/dbraw/zinc/81/12/28/1401811228.db2.gz IJHWMVAZJQFHJG-PBHICJAKSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934116 1401811230 /nfs/dbraw/zinc/81/12/30/1401811230.db2.gz IJHWMVAZJQFHJG-PBHICJAKSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001425934116 1401811232 /nfs/dbraw/zinc/81/12/32/1401811232.db2.gz IJHWMVAZJQFHJG-PBHICJAKSA-N 2 2 348.516 2.431 20 30 EEEDLP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001755275301 1407285131 /nfs/dbraw/zinc/28/51/31/1407285131.db2.gz SJHOQGBFDQEKRA-GTPINHCMSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001755679371 1407726061 /nfs/dbraw/zinc/72/60/61/1407726061.db2.gz WMHCLNCMKAMROE-CVEARBPZSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001755711097 1407764814 /nfs/dbraw/zinc/76/48/14/1407764814.db2.gz CWGYGXXVYGUCIJ-KBAYOESNSA-N 2 2 330.476 2.146 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367584 759827047 /nfs/dbraw/zinc/82/70/47/759827047.db2.gz ZJOARQDKUONLMR-ZACQAIPSSA-N 2 2 330.476 2.096 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089487877 769774407 /nfs/dbraw/zinc/77/44/07/769774407.db2.gz OQKZQPXBROCWBD-JKSUJKDBSA-N 2 2 342.487 2.460 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089487877 769774414 /nfs/dbraw/zinc/77/44/14/769774414.db2.gz OQKZQPXBROCWBD-JKSUJKDBSA-N 2 2 342.487 2.460 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000980001365 773693575 /nfs/dbraw/zinc/69/35/75/773693575.db2.gz OMOOQVYGXIUBIP-CGTJXYLNSA-N 2 2 343.471 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000980001365 773693578 /nfs/dbraw/zinc/69/35/78/773693578.db2.gz OMOOQVYGXIUBIP-CGTJXYLNSA-N 2 2 343.471 2.426 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660837 774047260 /nfs/dbraw/zinc/04/72/60/774047260.db2.gz QGVYSXHODGFWSM-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2(Br)CC2)cc1 ZINC000902281489 790463610 /nfs/dbraw/zinc/46/36/10/790463610.db2.gz KITDGVJHIZEEGF-UHFFFAOYSA-N 2 2 326.238 2.313 20 30 EEEDLP 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C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086086452 802127919 /nfs/dbraw/zinc/12/79/19/802127919.db2.gz QKRWSVJUXWABDT-OTVXOJSOSA-N 2 2 332.835 2.493 20 30 EEEDLP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004524380 802292648 /nfs/dbraw/zinc/29/26/48/802292648.db2.gz WZUBWVFVLCKTCI-KRWDZBQOSA-N 2 2 344.459 2.181 20 30 EEEDLP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004524380 802292652 /nfs/dbraw/zinc/29/26/52/802292652.db2.gz WZUBWVFVLCKTCI-KRWDZBQOSA-N 2 2 344.459 2.181 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577516 802403119 /nfs/dbraw/zinc/40/31/19/802403119.db2.gz GWUIFWLLERUZMS-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577516 802403125 /nfs/dbraw/zinc/40/31/25/802403125.db2.gz GWUIFWLLERUZMS-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577516 802403131 /nfs/dbraw/zinc/40/31/31/802403131.db2.gz GWUIFWLLERUZMS-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577516 802403135 /nfs/dbraw/zinc/40/31/35/802403135.db2.gz GWUIFWLLERUZMS-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675373 802791755 /nfs/dbraw/zinc/79/17/55/802791755.db2.gz MCZSYAZSFRPWAD-CALCHBBNSA-N 2 2 336.439 2.142 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675373 802791759 /nfs/dbraw/zinc/79/17/59/802791759.db2.gz MCZSYAZSFRPWAD-CALCHBBNSA-N 2 2 336.439 2.142 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108835749 804579401 /nfs/dbraw/zinc/57/94/01/804579401.db2.gz APEKSWRSUSKEOV-JYJNAYRXSA-N 2 2 336.867 2.385 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529459 809149805 /nfs/dbraw/zinc/14/98/05/809149805.db2.gz RFGVZOZMXIDBIN-IBGZPJMESA-N 2 2 345.487 2.026 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529459 809149808 /nfs/dbraw/zinc/14/98/08/809149808.db2.gz RFGVZOZMXIDBIN-IBGZPJMESA-N 2 2 345.487 2.026 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001438393180 1090880764 /nfs/dbraw/zinc/88/07/64/1090880764.db2.gz OKBBQCOHQOVUNI-CQSZACIVSA-N 2 2 336.867 2.217 20 30 EEEDLP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001438797644 1091402507 /nfs/dbraw/zinc/40/25/07/1091402507.db2.gz JCFIGYBQZZLGNQ-GOSISDBHSA-N 2 2 339.443 2.145 20 30 EEEDLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001438797644 1091402509 /nfs/dbraw/zinc/40/25/09/1091402509.db2.gz JCFIGYBQZZLGNQ-GOSISDBHSA-N 2 2 339.443 2.145 20 30 EEEDLP C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181876155 234363288 /nfs/dbraw/zinc/36/32/88/234363288.db2.gz DSHNQPKGKDMKCL-JXFKEZNVSA-N 2 2 343.471 2.306 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000491622222 246085589 /nfs/dbraw/zinc/08/55/89/246085589.db2.gz FDGNBDQRSCIWEU-ZDUSSCGKSA-N 2 2 347.365 2.264 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000491622222 246085595 /nfs/dbraw/zinc/08/55/95/246085595.db2.gz FDGNBDQRSCIWEU-ZDUSSCGKSA-N 2 2 347.365 2.264 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000246153073 256014614 /nfs/dbraw/zinc/01/46/14/256014614.db2.gz MOPMOPPWUXCXPK-HIFRSBDPSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000246153073 256014615 /nfs/dbraw/zinc/01/46/15/256014615.db2.gz MOPMOPPWUXCXPK-HIFRSBDPSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C#N)c1C ZINC000246153073 256014616 /nfs/dbraw/zinc/01/46/16/256014616.db2.gz MOPMOPPWUXCXPK-HIFRSBDPSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C#N)c1C ZINC000246153073 256014617 /nfs/dbraw/zinc/01/46/17/256014617.db2.gz MOPMOPPWUXCXPK-HIFRSBDPSA-N 2 2 332.448 2.369 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000267612673 256072681 /nfs/dbraw/zinc/07/26/81/256072681.db2.gz OIDBNOUHZVKFFM-HNNXBMFYSA-N 2 2 341.440 2.259 20 30 EEEDLP C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+]1CCOCC1 ZINC000120340966 462988708 /nfs/dbraw/zinc/98/87/08/462988708.db2.gz FDLIOBPCKOKAQU-KRWDZBQOSA-N 2 2 331.460 2.427 20 30 EEEDLP C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540585 463038840 /nfs/dbraw/zinc/03/88/40/463038840.db2.gz NSGHDBRRAFADCN-CVEARBPZSA-N 2 2 329.448 2.109 20 30 EEEDLP C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540585 463038844 /nfs/dbraw/zinc/03/88/44/463038844.db2.gz NSGHDBRRAFADCN-CVEARBPZSA-N 2 2 329.448 2.109 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972621 463377358 /nfs/dbraw/zinc/37/73/58/463377358.db2.gz KSIQVJLZMFOROV-CABCVRRESA-N 2 2 329.448 2.320 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972621 463377363 /nfs/dbraw/zinc/37/73/63/463377363.db2.gz KSIQVJLZMFOROV-CABCVRRESA-N 2 2 329.448 2.320 20 30 EEEDLP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000568767608 468386335 /nfs/dbraw/zinc/38/63/35/468386335.db2.gz SOOFFIILOCHJGX-LJQANCHMSA-N 2 2 330.476 2.492 20 30 EEEDLP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000568767608 468386340 /nfs/dbraw/zinc/38/63/40/468386340.db2.gz SOOFFIILOCHJGX-LJQANCHMSA-N 2 2 330.476 2.492 20 30 EEEDLP COC(=O)c1cc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)oc1C ZINC000271713183 464368706 /nfs/dbraw/zinc/36/87/06/464368706.db2.gz HJOWMMFNKGKJLE-UHFFFAOYSA-N 2 2 345.399 2.273 20 30 EEEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCCC1 ZINC000330172900 465558385 /nfs/dbraw/zinc/55/83/85/465558385.db2.gz GVGJDBTWUSYRQG-OAHLLOKOSA-N 2 2 333.480 2.356 20 30 EEEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000361055554 465733233 /nfs/dbraw/zinc/73/32/33/465733233.db2.gz FTGLENJFUBTNKU-IBGZPJMESA-N 2 2 343.475 2.184 20 30 EEEDLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424059807 466967348 /nfs/dbraw/zinc/96/73/48/466967348.db2.gz GPDAUPLMLOCOCA-LSDHHAIUSA-N 2 2 345.834 2.300 20 30 EEEDLP C[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450418446 467846869 /nfs/dbraw/zinc/84/68/69/467846869.db2.gz LYJLMWQWIOGTEY-AWEZNQCLSA-N 2 2 343.431 2.071 20 30 EEEDLP C[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450418446 467846871 /nfs/dbraw/zinc/84/68/71/467846871.db2.gz LYJLMWQWIOGTEY-AWEZNQCLSA-N 2 2 343.431 2.071 20 30 EEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600738772 468643107 /nfs/dbraw/zinc/64/31/07/468643107.db2.gz KZOKIULVCUASHA-OALUTQOASA-N 2 2 345.487 2.398 20 30 EEEDLP C[N@H+](CCN1CC[NH+](Cc2cccc(C#N)n2)CC1)Cc1ccccc1 ZINC000602465878 469328202 /nfs/dbraw/zinc/32/82/02/469328202.db2.gz RPKQEKJJHONUMG-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP C[N@@H+](CCN1CC[NH+](Cc2cccc(C#N)n2)CC1)Cc1ccccc1 ZINC000602465878 469328204 /nfs/dbraw/zinc/32/82/04/469328204.db2.gz RPKQEKJJHONUMG-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000665700054 472142644 /nfs/dbraw/zinc/14/26/44/472142644.db2.gz OARJISYQMCLQPS-CVEARBPZSA-N 2 2 345.491 2.136 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000665700054 472142647 /nfs/dbraw/zinc/14/26/47/472142647.db2.gz OARJISYQMCLQPS-CVEARBPZSA-N 2 2 345.491 2.136 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC000668683635 472225457 /nfs/dbraw/zinc/22/54/57/472225457.db2.gz ZRBSIVHFUWEVIX-BRWVUGGUSA-N 2 2 330.476 2.338 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000775465357 577437730 /nfs/dbraw/zinc/43/77/30/577437730.db2.gz XCQHEFYEDOLDSW-HXUWFJFHSA-N 2 2 341.499 2.449 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000775465356 577437761 /nfs/dbraw/zinc/43/77/61/577437761.db2.gz XCQHEFYEDOLDSW-FQEVSTJZSA-N 2 2 341.499 2.449 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970670948 676064778 /nfs/dbraw/zinc/06/47/78/676064778.db2.gz VWUHEKIPTQYKOI-CQSZACIVSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000970732980 676110425 /nfs/dbraw/zinc/11/04/25/676110425.db2.gz ZOCDHGICCXGRDJ-HNNXBMFYSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447443 679313917 /nfs/dbraw/zinc/31/39/17/679313917.db2.gz NMHDZURYRFDNIU-HUUCEWRRSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447443 679313918 /nfs/dbraw/zinc/31/39/18/679313918.db2.gz NMHDZURYRFDNIU-HUUCEWRRSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001023697793 679487710 /nfs/dbraw/zinc/48/77/10/679487710.db2.gz HHAFWLJEEPXSGS-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001023697793 679487711 /nfs/dbraw/zinc/48/77/11/679487711.db2.gz HHAFWLJEEPXSGS-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974745757 685369516 /nfs/dbraw/zinc/36/95/16/685369516.db2.gz XRVZFYUJNNKMDY-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974745757 685369526 /nfs/dbraw/zinc/36/95/26/685369526.db2.gz XRVZFYUJNNKMDY-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024617865 681282751 /nfs/dbraw/zinc/28/27/51/681282751.db2.gz MFJYZZRGUPDANO-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024617865 681282754 /nfs/dbraw/zinc/28/27/54/681282754.db2.gz MFJYZZRGUPDANO-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024617865 681282756 /nfs/dbraw/zinc/28/27/56/681282756.db2.gz MFJYZZRGUPDANO-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024617865 681282758 /nfs/dbraw/zinc/28/27/58/681282758.db2.gz MFJYZZRGUPDANO-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982540991 681599783 /nfs/dbraw/zinc/59/97/83/681599783.db2.gz BQIGKBINTDDJGR-ZMYBRWDISA-N 2 2 328.460 2.186 20 30 EEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982540991 681599784 /nfs/dbraw/zinc/59/97/84/681599784.db2.gz BQIGKBINTDDJGR-ZMYBRWDISA-N 2 2 328.460 2.186 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC000992876239 683617837 /nfs/dbraw/zinc/61/78/37/683617837.db2.gz NUECWMLWHNUWIE-DFQSSKMNSA-N 2 2 348.450 2.336 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@@H]12 ZINC001026429154 684633554 /nfs/dbraw/zinc/63/35/54/684633554.db2.gz RZEYSLPYHACWQR-DJIMGWMZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@@H]12 ZINC001026429154 684633556 /nfs/dbraw/zinc/63/35/56/684633556.db2.gz RZEYSLPYHACWQR-DJIMGWMZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 ZINC000990811856 693890470 /nfs/dbraw/zinc/89/04/70/693890470.db2.gz BDVDSNBKBOIZKL-FXAWDEMLSA-N 2 2 342.487 2.451 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 ZINC000990811856 693890475 /nfs/dbraw/zinc/89/04/75/693890475.db2.gz BDVDSNBKBOIZKL-FXAWDEMLSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986567316 688720939 /nfs/dbraw/zinc/72/09/39/688720939.db2.gz AQDVJLXMQNNPAS-KBPBESRZSA-N 2 2 336.867 2.093 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977494582 692683839 /nfs/dbraw/zinc/68/38/39/692683839.db2.gz DVBNBGPOFYILPN-OAHLLOKOSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977494582 692683840 /nfs/dbraw/zinc/68/38/40/692683840.db2.gz DVBNBGPOFYILPN-OAHLLOKOSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089889035 1192839790 /nfs/dbraw/zinc/83/97/90/1192839790.db2.gz KAKGCSYHWOFDKT-HZMVEIRTSA-N 2 2 342.487 2.432 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089889035 1192839796 /nfs/dbraw/zinc/83/97/96/1192839796.db2.gz KAKGCSYHWOFDKT-HZMVEIRTSA-N 2 2 342.487 2.432 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001088352499 1186650090 /nfs/dbraw/zinc/65/00/90/1186650090.db2.gz CLCCUIDDUXQYSG-MOPGFXCFSA-N 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20 30 EEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447615 1205767886 /nfs/dbraw/zinc/76/78/86/1205767886.db2.gz FGNMUVFKHMZSKA-IKGGRYGDSA-N 2 2 328.460 2.060 20 30 EEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447615 1205767887 /nfs/dbraw/zinc/76/78/87/1205767887.db2.gz FGNMUVFKHMZSKA-IKGGRYGDSA-N 2 2 328.460 2.060 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947921062 1208776826 /nfs/dbraw/zinc/77/68/26/1208776826.db2.gz KKECYQJEVLTEOT-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947921062 1208776827 /nfs/dbraw/zinc/77/68/27/1208776827.db2.gz KKECYQJEVLTEOT-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567453 1209227683 /nfs/dbraw/zinc/22/76/83/1209227683.db2.gz VESUSYQCHIPHLU-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP 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CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001014633879 1226863766 /nfs/dbraw/zinc/86/37/66/1226863766.db2.gz UHMJAUQOIQXWRQ-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001014633879 1226863769 /nfs/dbraw/zinc/86/37/69/1226863769.db2.gz UHMJAUQOIQXWRQ-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014633879 1226863773 /nfs/dbraw/zinc/86/37/73/1226863773.db2.gz UHMJAUQOIQXWRQ-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014633879 1226863775 /nfs/dbraw/zinc/86/37/75/1226863775.db2.gz UHMJAUQOIQXWRQ-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001017679974 1227631568 /nfs/dbraw/zinc/63/15/68/1227631568.db2.gz FCZVTJAHRRVZFD-YESZJQIVSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001017679974 1227631572 /nfs/dbraw/zinc/63/15/72/1227631572.db2.gz FCZVTJAHRRVZFD-YESZJQIVSA-N 2 2 328.460 2.087 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048675 1230262904 /nfs/dbraw/zinc/26/29/04/1230262904.db2.gz IZMZGDGFNLHDFE-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048675 1230262907 /nfs/dbraw/zinc/26/29/07/1230262907.db2.gz IZMZGDGFNLHDFE-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039048675 1230262911 /nfs/dbraw/zinc/26/29/11/1230262911.db2.gz IZMZGDGFNLHDFE-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039048675 1230262915 /nfs/dbraw/zinc/26/29/15/1230262915.db2.gz IZMZGDGFNLHDFE-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP 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CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208184 1230435139 /nfs/dbraw/zinc/43/51/39/1230435139.db2.gz AYWJQNLEHKLRGS-WMZOPIPTSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208184 1230435142 /nfs/dbraw/zinc/43/51/42/1230435142.db2.gz AYWJQNLEHKLRGS-WMZOPIPTSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208184 1230435144 /nfs/dbraw/zinc/43/51/44/1230435144.db2.gz AYWJQNLEHKLRGS-WMZOPIPTSA-N 2 2 328.460 2.069 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001040222770 1231112086 /nfs/dbraw/zinc/11/20/86/1231112086.db2.gz HLBCKUJFHMJMIS-HXUWFJFHSA-N 2 2 342.487 2.262 20 30 EEEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001040222770 1231112088 /nfs/dbraw/zinc/11/20/88/1231112088.db2.gz HLBCKUJFHMJMIS-HXUWFJFHSA-N 2 2 342.487 2.262 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001041422453 1231540922 /nfs/dbraw/zinc/54/09/22/1231540922.db2.gz NZNNYIZFMLQAKT-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001041422453 1231540926 /nfs/dbraw/zinc/54/09/26/1231540926.db2.gz NZNNYIZFMLQAKT-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001044609304 1233115322 /nfs/dbraw/zinc/11/53/22/1233115322.db2.gz VYTXOVXILQEHKM-JKSUJKDBSA-N 2 2 330.476 2.307 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000365633394 1233652482 /nfs/dbraw/zinc/65/24/82/1233652482.db2.gz VRNNVQJZSMOCHW-AEFFLSMTSA-N 2 2 349.438 2.277 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000365633394 1233652487 /nfs/dbraw/zinc/65/24/87/1233652487.db2.gz VRNNVQJZSMOCHW-AEFFLSMTSA-N 2 2 349.438 2.277 20 30 EEEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001047246952 1235743037 /nfs/dbraw/zinc/74/30/37/1235743037.db2.gz CLDDQDNYAODTSK-GOSISDBHSA-N 2 2 330.476 2.410 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001048887908 1239145905 /nfs/dbraw/zinc/14/59/05/1239145905.db2.gz CUKQFDCUQMZDMO-GASCZTMLSA-N 2 2 336.867 2.069 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001048887908 1239145911 /nfs/dbraw/zinc/14/59/11/1239145911.db2.gz CUKQFDCUQMZDMO-GASCZTMLSA-N 2 2 336.867 2.069 20 30 EEEDLP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001000205672 1240059356 /nfs/dbraw/zinc/05/93/56/1240059356.db2.gz XGZFZXJJBMTWOH-MRXNPFEDSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001049482666 1241091197 /nfs/dbraw/zinc/09/11/97/1241091197.db2.gz BCNAEODUFBJPNF-SJORKVTESA-N 2 2 328.460 2.013 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001049482666 1241091210 /nfs/dbraw/zinc/09/12/10/1241091210.db2.gz BCNAEODUFBJPNF-SJORKVTESA-N 2 2 328.460 2.013 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515655 1241197808 /nfs/dbraw/zinc/19/78/08/1241197808.db2.gz QZIVJVBWYMDXQH-HZPDHXFCSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049515655 1241197816 /nfs/dbraw/zinc/19/78/16/1241197816.db2.gz QZIVJVBWYMDXQH-HZPDHXFCSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515655 1241197822 /nfs/dbraw/zinc/19/78/22/1241197822.db2.gz QZIVJVBWYMDXQH-HZPDHXFCSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515655 1241197830 /nfs/dbraw/zinc/19/78/30/1241197830.db2.gz QZIVJVBWYMDXQH-HZPDHXFCSA-N 2 2 325.884 2.289 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001049715125 1241970426 /nfs/dbraw/zinc/97/04/26/1241970426.db2.gz SNWUMOCYVMVGCI-HYVNUMGLSA-N 2 2 328.460 2.471 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001049715125 1241970434 /nfs/dbraw/zinc/97/04/34/1241970434.db2.gz SNWUMOCYVMVGCI-HYVNUMGLSA-N 2 2 328.460 2.471 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001563317 1242485388 /nfs/dbraw/zinc/48/53/88/1242485388.db2.gz PYJXTNMAWUGKSX-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001050669455 1244086433 /nfs/dbraw/zinc/08/64/33/1244086433.db2.gz CQSKRTGGVADPSB-HUUCEWRRSA-N 2 2 348.878 2.201 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036324 1245735461 /nfs/dbraw/zinc/73/54/61/1245735461.db2.gz KKDVSCNFVOAAGT-QZTJIDSGSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036324 1245735466 /nfs/dbraw/zinc/73/54/66/1245735466.db2.gz KKDVSCNFVOAAGT-QZTJIDSGSA-N 2 2 330.476 2.410 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098137 1245898987 /nfs/dbraw/zinc/89/89/87/1245898987.db2.gz LEMPUHQRAFTYDB-AEFFLSMTSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098137 1245898997 /nfs/dbraw/zinc/89/89/97/1245898997.db2.gz LEMPUHQRAFTYDB-AEFFLSMTSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054272880 1247968821 /nfs/dbraw/zinc/96/88/21/1247968821.db2.gz JDOWGARIXGOWKU-UHFFFAOYSA-N 2 2 337.467 2.270 20 30 EEEDLP CC#CC[N@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054272880 1247968837 /nfs/dbraw/zinc/96/88/37/1247968837.db2.gz JDOWGARIXGOWKU-UHFFFAOYSA-N 2 2 337.467 2.270 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCCO1 ZINC001201024400 1287238171 /nfs/dbraw/zinc/23/81/71/1287238171.db2.gz WVPAAAPUMWSVQD-KRWDZBQOSA-N 2 2 331.460 2.404 20 30 EEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001191931062 1281710872 /nfs/dbraw/zinc/71/08/72/1281710872.db2.gz PEANVYMOQFKREK-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001191931062 1281710876 /nfs/dbraw/zinc/71/08/76/1281710876.db2.gz PEANVYMOQFKREK-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001191931062 1281710887 /nfs/dbraw/zinc/71/08/87/1281710887.db2.gz PEANVYMOQFKREK-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001191931062 1281710892 /nfs/dbraw/zinc/71/08/92/1281710892.db2.gz PEANVYMOQFKREK-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@@H]1C ZINC001071957334 1295038522 /nfs/dbraw/zinc/03/85/22/1295038522.db2.gz HGBWBRZRENIGNX-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@@H]1C ZINC001071957334 1295038534 /nfs/dbraw/zinc/03/85/34/1295038534.db2.gz HGBWBRZRENIGNX-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013599 1299953454 /nfs/dbraw/zinc/95/34/54/1299953454.db2.gz OZBRJKXOPPGLIP-LMMKCTJWSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013599 1299953457 /nfs/dbraw/zinc/95/34/57/1299953457.db2.gz OZBRJKXOPPGLIP-LMMKCTJWSA-N 2 2 342.487 2.335 20 30 EEEDLP C#Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)c1 ZINC001231655129 1303882241 /nfs/dbraw/zinc/88/22/41/1303882241.db2.gz LFFUZTCKBVJJGF-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)c1 ZINC001231655129 1303882244 /nfs/dbraw/zinc/88/22/44/1303882244.db2.gz LFFUZTCKBVJJGF-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)c1 ZINC001231655129 1303882248 /nfs/dbraw/zinc/88/22/48/1303882248.db2.gz LFFUZTCKBVJJGF-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)c1 ZINC001231655129 1303882252 /nfs/dbraw/zinc/88/22/52/1303882252.db2.gz LFFUZTCKBVJJGF-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC001231695661 1303895566 /nfs/dbraw/zinc/89/55/66/1303895566.db2.gz WGRFJSMKMOFSBM-UHFFFAOYSA-N 2 2 333.476 2.218 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115689370 1305619165 /nfs/dbraw/zinc/61/91/65/1305619165.db2.gz DSTVVVUTAIXIHI-GOSISDBHSA-N 2 2 349.519 2.225 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115689370 1305619170 /nfs/dbraw/zinc/61/91/70/1305619170.db2.gz DSTVVVUTAIXIHI-GOSISDBHSA-N 2 2 349.519 2.225 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001151340314 1316508038 /nfs/dbraw/zinc/50/80/38/1316508038.db2.gz QYQMWQIMNSIAKZ-MRXNPFEDSA-N 2 2 348.491 2.294 20 30 EEEDLP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001252597097 1317643276 /nfs/dbraw/zinc/64/32/76/1317643276.db2.gz WSVYMVXMJGKAQA-SFHVURJKSA-N 2 2 334.460 2.274 20 30 EEEDLP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001252597097 1317643282 /nfs/dbraw/zinc/64/32/82/1317643282.db2.gz WSVYMVXMJGKAQA-SFHVURJKSA-N 2 2 334.460 2.274 20 30 EEEDLP C=CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001252618742 1317647836 /nfs/dbraw/zinc/64/78/36/1317647836.db2.gz DYUNQESZWOETKE-IBGZPJMESA-N 2 2 346.471 2.354 20 30 EEEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155830266 1317753052 /nfs/dbraw/zinc/75/30/52/1317753052.db2.gz VQDNXJIZNQNTDK-MRXNPFEDSA-N 2 2 345.915 2.068 20 30 EEEDLP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155830266 1317753056 /nfs/dbraw/zinc/75/30/56/1317753056.db2.gz VQDNXJIZNQNTDK-MRXNPFEDSA-N 2 2 345.915 2.068 20 30 EEEDLP C[NH+](C)C1(CNc2ncc3c(c2C#N)CCCC3)CC[NH+](C)CC1 ZINC001156187153 1317912835 /nfs/dbraw/zinc/91/28/35/1317912835.db2.gz DBMMAAUGNOCQMQ-UHFFFAOYSA-N 2 2 327.476 2.270 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258731434 1319331419 /nfs/dbraw/zinc/33/14/19/1319331419.db2.gz XPEPOWAHGUEIEZ-DLBZAZTESA-N 2 2 331.508 2.362 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001258731434 1319331428 /nfs/dbraw/zinc/33/14/28/1319331428.db2.gz XPEPOWAHGUEIEZ-DLBZAZTESA-N 2 2 331.508 2.362 20 30 EEEDLP C#CC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798292 1320272124 /nfs/dbraw/zinc/27/21/24/1320272124.db2.gz FFZVTCHDBYUGTG-UHFFFAOYSA-N 2 2 334.423 2.258 20 30 EEEDLP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798292 1320272129 /nfs/dbraw/zinc/27/21/29/1320272129.db2.gz FFZVTCHDBYUGTG-UHFFFAOYSA-N 2 2 334.423 2.258 20 30 EEEDLP C=CCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001203861647 1321976995 /nfs/dbraw/zinc/97/69/95/1321976995.db2.gz OJIFXUYCZHZNEY-UHFFFAOYSA-N 2 2 333.501 2.263 20 30 EEEDLP C=CCC[NH2+]C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001203861647 1321976998 /nfs/dbraw/zinc/97/69/98/1321976998.db2.gz OJIFXUYCZHZNEY-UHFFFAOYSA-N 2 2 333.501 2.263 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001204368171 1322131054 /nfs/dbraw/zinc/13/10/54/1322131054.db2.gz USEXPQDUHLYRSF-UHFFFAOYSA-N 2 2 335.455 2.409 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001263301370 1322455361 /nfs/dbraw/zinc/45/53/61/1322455361.db2.gz OBHLWFRCYXYGBT-KRWDZBQOSA-N 2 2 346.523 2.399 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001263301370 1322455365 /nfs/dbraw/zinc/45/53/65/1322455365.db2.gz OBHLWFRCYXYGBT-KRWDZBQOSA-N 2 2 346.523 2.399 20 30 EEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238792 1323436408 /nfs/dbraw/zinc/43/64/08/1323436408.db2.gz YNSUGAZYVSKLOE-AWEZNQCLSA-N 2 2 336.867 2.410 20 30 EEEDLP CC#CC[NH2+]CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001206762342 1323584934 /nfs/dbraw/zinc/58/49/34/1323584934.db2.gz PEEUGPDTLORXIY-UHFFFAOYSA-N 2 2 336.439 2.337 20 30 EEEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001207758201 1324131958 /nfs/dbraw/zinc/13/19/58/1324131958.db2.gz XAVOAZQAJBJSKR-CRAIPNDOSA-N 2 2 342.487 2.225 20 30 EEEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001207758201 1324131963 /nfs/dbraw/zinc/13/19/63/1324131963.db2.gz XAVOAZQAJBJSKR-CRAIPNDOSA-N 2 2 342.487 2.225 20 30 EEEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001207758201 1324131974 /nfs/dbraw/zinc/13/19/74/1324131974.db2.gz XAVOAZQAJBJSKR-CRAIPNDOSA-N 2 2 342.487 2.225 20 30 EEEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001207758201 1324131981 /nfs/dbraw/zinc/13/19/81/1324131981.db2.gz XAVOAZQAJBJSKR-CRAIPNDOSA-N 2 2 342.487 2.225 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208068161 1324300272 /nfs/dbraw/zinc/30/02/72/1324300272.db2.gz YZYJGFSBRJGWAE-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(C)[C@@H]1CC=C(C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001208177445 1324345361 /nfs/dbraw/zinc/34/53/61/1324345361.db2.gz SHNXBZXJFBDECT-HXUWFJFHSA-N 2 2 333.520 2.239 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001208738751 1324646791 /nfs/dbraw/zinc/64/67/91/1324646791.db2.gz SPKBKQZFGKYGDH-OALUTQOASA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001208738751 1324646797 /nfs/dbraw/zinc/64/67/97/1324646797.db2.gz SPKBKQZFGKYGDH-OALUTQOASA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190259972 1368403031 /nfs/dbraw/zinc/40/30/31/1368403031.db2.gz PUTJFVWKVOBXQF-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190259972 1368403039 /nfs/dbraw/zinc/40/30/39/1368403039.db2.gz PUTJFVWKVOBXQF-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP CC1(C)CC(=NNCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000799489533 1371659440 /nfs/dbraw/zinc/65/94/40/1371659440.db2.gz VCCPMDBEXLOMLI-UHFFFAOYSA-N 2 2 344.503 2.339 20 30 EEEDLP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001752805248 1406424792 /nfs/dbraw/zinc/42/47/92/1406424792.db2.gz NPCVROKFWGTGTG-KRWDZBQOSA-N 2 2 336.439 2.337 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001400754354 1396577261 /nfs/dbraw/zinc/57/72/61/1396577261.db2.gz BCXQCHUFNQODMR-INIZCTEOSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001400754354 1396577264 /nfs/dbraw/zinc/57/72/64/1396577264.db2.gz BCXQCHUFNQODMR-INIZCTEOSA-N 2 2 327.900 2.394 20 30 EEEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001754638732 1406936825 /nfs/dbraw/zinc/93/68/25/1406936825.db2.gz JMZJDPUDUHKYCM-QZTJIDSGSA-N 2 2 340.471 2.406 20 30 EEEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001754638732 1406936832 /nfs/dbraw/zinc/93/68/32/1406936832.db2.gz JMZJDPUDUHKYCM-QZTJIDSGSA-N 2 2 340.471 2.406 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC001755756525 1407815148 /nfs/dbraw/zinc/81/51/48/1407815148.db2.gz GFFYQQSJKQMMKL-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367082 759822160 /nfs/dbraw/zinc/82/21/60/759822160.db2.gz HBCMPRKYGUFTTP-KURKYZTESA-N 2 2 344.503 2.486 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367039 759822465 /nfs/dbraw/zinc/82/24/65/759822465.db2.gz DXSKNWRXJWGJDF-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167509554 760196658 /nfs/dbraw/zinc/19/66/58/760196658.db2.gz PXWABAZOGXTVQN-KRWDZBQOSA-N 2 2 337.508 2.082 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665138 764682584 /nfs/dbraw/zinc/68/25/84/764682584.db2.gz NAZWSWNTHXIPBW-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979989627 773669613 /nfs/dbraw/zinc/66/96/13/773669613.db2.gz QFUXCPRCHDPTNN-OKZBNKHCSA-N 2 2 342.487 2.167 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979989627 773669618 /nfs/dbraw/zinc/66/96/18/773669618.db2.gz QFUXCPRCHDPTNN-OKZBNKHCSA-N 2 2 342.487 2.167 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030464515 790476070 /nfs/dbraw/zinc/47/60/70/790476070.db2.gz XLIBOYBVSLFBMS-IBGZPJMESA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030464515 790476073 /nfs/dbraw/zinc/47/60/73/790476073.db2.gz XLIBOYBVSLFBMS-IBGZPJMESA-N 2 2 331.504 2.245 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820359 776911405 /nfs/dbraw/zinc/91/14/05/776911405.db2.gz LWJZGUVOFQHORV-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820359 776911409 /nfs/dbraw/zinc/91/14/09/776911409.db2.gz LWJZGUVOFQHORV-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820359 776911415 /nfs/dbraw/zinc/91/14/15/776911415.db2.gz LWJZGUVOFQHORV-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820359 776911421 /nfs/dbraw/zinc/91/14/21/776911421.db2.gz LWJZGUVOFQHORV-RANZSIQMSA-N 2 2 328.460 2.087 20 30 EEEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981771051 778188088 /nfs/dbraw/zinc/18/80/88/778188088.db2.gz MTPZCVHAMWMHDZ-UHFFFAOYSA-N 2 2 336.439 2.204 20 30 EEEDLP 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DMZXRAGUMQQIDA-WMLDXEAASA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995976704 785882982 /nfs/dbraw/zinc/88/29/82/785882982.db2.gz DMZXRAGUMQQIDA-WMLDXEAASA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001036255042 786111554 /nfs/dbraw/zinc/11/15/54/786111554.db2.gz XGTIZMDKZLUFBZ-NVXWUHKLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895571 786811807 /nfs/dbraw/zinc/81/18/07/786811807.db2.gz FESWGYLNNYESBH-CUSZFKRNSA-N 2 2 328.460 2.006 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895571 786811813 /nfs/dbraw/zinc/81/18/13/786811813.db2.gz FESWGYLNNYESBH-CUSZFKRNSA-N 2 2 328.460 2.006 20 30 EEEDLP N#Cc1cncc(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001144080777 789221165 /nfs/dbraw/zinc/22/11/65/789221165.db2.gz YDJILMLONFNXDI-UHFFFAOYSA-N 2 2 349.438 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C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998045283 791882450 /nfs/dbraw/zinc/88/24/50/791882450.db2.gz JSZAFYAAOWAIFN-IRXDYDNUSA-N 2 2 342.487 2.159 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091690538 792276401 /nfs/dbraw/zinc/27/64/01/792276401.db2.gz JMKXUQBEPNYANK-UZLBHIALSA-N 2 2 342.487 2.118 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091690538 792276407 /nfs/dbraw/zinc/27/64/07/792276407.db2.gz JMKXUQBEPNYANK-UZLBHIALSA-N 2 2 342.487 2.118 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148304971 792311307 /nfs/dbraw/zinc/31/13/07/792311307.db2.gz QGGVKKUWNQNFQB-HZPDHXFCSA-N 2 2 328.460 2.024 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148304971 792311320 /nfs/dbraw/zinc/31/13/20/792311320.db2.gz QGGVKKUWNQNFQB-HZPDHXFCSA-N 2 2 328.460 2.024 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948355 793069711 /nfs/dbraw/zinc/06/97/11/793069711.db2.gz WTIBALGIBNGXAE-DLBZAZTESA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948355 793069724 /nfs/dbraw/zinc/06/97/24/793069724.db2.gz WTIBALGIBNGXAE-DLBZAZTESA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934653 793073505 /nfs/dbraw/zinc/07/35/05/793073505.db2.gz WPGJVLZLQNECDX-QGZVFWFLSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992186282 793123671 /nfs/dbraw/zinc/12/36/71/793123671.db2.gz GABWCAYQSFBVDO-JLJPHGGASA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992186282 793123680 /nfs/dbraw/zinc/12/36/80/793123680.db2.gz GABWCAYQSFBVDO-JLJPHGGASA-N 2 2 325.884 2.194 20 30 EEEDLP 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C=CCC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002043447 797468982 /nfs/dbraw/zinc/46/89/82/797468982.db2.gz VXPWNPGRXVFXIB-UHFFFAOYSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084957852 798577021 /nfs/dbraw/zinc/57/70/21/798577021.db2.gz ATFORAXXMLQETD-VNQPRFMTSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084957852 798577025 /nfs/dbraw/zinc/57/70/25/798577025.db2.gz ATFORAXXMLQETD-VNQPRFMTSA-N 2 2 325.884 2.002 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001183056705 801457250 /nfs/dbraw/zinc/45/72/50/801457250.db2.gz WCZWACAZYFOJEC-DNVCBOLYSA-N 2 2 339.443 2.141 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004621660 802482576 /nfs/dbraw/zinc/48/25/76/802482576.db2.gz USJJCMTZUPPDFW-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004621660 802482579 /nfs/dbraw/zinc/48/25/79/802482579.db2.gz USJJCMTZUPPDFW-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004621660 802482583 /nfs/dbraw/zinc/48/25/83/802482583.db2.gz USJJCMTZUPPDFW-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004621660 802482591 /nfs/dbraw/zinc/48/25/91/802482591.db2.gz USJJCMTZUPPDFW-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC000946702365 802847843 /nfs/dbraw/zinc/84/78/43/802847843.db2.gz FQHKOZVIBNEJAU-KDURUIRLSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC000946702365 802847844 /nfs/dbraw/zinc/84/78/44/802847844.db2.gz FQHKOZVIBNEJAU-KDURUIRLSA-N 2 2 348.450 2.290 20 30 EEEDLP CN(c1nc(Cl)c(C#N)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000804449050 810874744 /nfs/dbraw/zinc/87/47/44/810874744.db2.gz WLJMHEYSBBVCLB-LBPRGKRZSA-N 2 2 339.896 2.273 20 30 EEEDLP CN(c1nc(Cl)c(C#N)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000804449050 810874753 /nfs/dbraw/zinc/87/47/53/810874753.db2.gz WLJMHEYSBBVCLB-LBPRGKRZSA-N 2 2 339.896 2.273 20 30 EEEDLP N#Cc1cc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1F ZINC001130266549 811379864 /nfs/dbraw/zinc/37/98/64/811379864.db2.gz ZCKPNTBYBHKUCU-UHFFFAOYSA-N 2 2 337.358 2.093 20 30 EEEDLP N#Cc1ccccc1C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001444078856 1098605229 /nfs/dbraw/zinc/60/52/29/1098605229.db2.gz GTFPSJMBKJHYGQ-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001480553990 1100392197 /nfs/dbraw/zinc/39/21/97/1100392197.db2.gz HLCGKANBVRSZIS-OAHLLOKOSA-N 2 2 339.443 2.138 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001505839508 1114226446 /nfs/dbraw/zinc/22/64/46/1114226446.db2.gz VDDOOHXTNMCFTR-LBPRGKRZSA-N 2 2 326.872 2.415 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001505839508 1114226450 /nfs/dbraw/zinc/22/64/50/1114226450.db2.gz VDDOOHXTNMCFTR-LBPRGKRZSA-N 2 2 326.872 2.415 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793142 237133319 /nfs/dbraw/zinc/13/33/19/237133319.db2.gz JDQKZOGBRLRAII-OAHLLOKOSA-N 2 2 329.448 2.251 20 30 EEEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000442790968 242115137 /nfs/dbraw/zinc/11/51/37/242115137.db2.gz MWWYMOPNCIFTBY-AEFFLSMTSA-N 2 2 329.444 2.179 20 30 EEEDLP C=CCN1CC[C@@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1=O ZINC000459479638 245137620 /nfs/dbraw/zinc/13/76/20/245137620.db2.gz KKOMXDINEYIMAV-LJQANCHMSA-N 2 2 336.439 2.144 20 30 EEEDLP C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129748399 205209330 /nfs/dbraw/zinc/20/93/30/205209330.db2.gz BVZQWEUFMQACIE-JSGCOSHPSA-N 2 2 329.429 2.338 20 30 EEEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129748399 205209334 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RZWFVQXYTJNIOW-UHFFFAOYSA-N 2 2 347.459 2.190 20 30 EEEDLP CN(C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C1(C#N)CCCCC1 ZINC000075860630 462765548 /nfs/dbraw/zinc/76/55/48/462765548.db2.gz WYNVPOOMBODXEF-KRWDZBQOSA-N 2 2 334.508 2.477 20 30 EEEDLP CN(C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C1(C#N)CCCCC1 ZINC000075860630 462765552 /nfs/dbraw/zinc/76/55/52/462765552.db2.gz WYNVPOOMBODXEF-KRWDZBQOSA-N 2 2 334.508 2.477 20 30 EEEDLP CN(C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C1(C#N)CCCCC1 ZINC000075860630 462765557 /nfs/dbraw/zinc/76/55/57/462765557.db2.gz WYNVPOOMBODXEF-KRWDZBQOSA-N 2 2 334.508 2.477 20 30 EEEDLP CN(C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C1(C#N)CCCCC1 ZINC000075860630 462765560 /nfs/dbraw/zinc/76/55/60/462765560.db2.gz WYNVPOOMBODXEF-KRWDZBQOSA-N 2 2 334.508 2.477 20 30 EEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000278512721 463968364 /nfs/dbraw/zinc/96/83/64/463968364.db2.gz BPIBOONYCPGUEQ-IBGZPJMESA-N 2 2 344.459 2.288 20 30 EEEDLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)S1 ZINC000267464601 464933306 /nfs/dbraw/zinc/93/33/06/464933306.db2.gz ULMVUMHEKTYGEW-AWEZNQCLSA-N 2 2 330.457 2.198 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348275178 465525854 /nfs/dbraw/zinc/52/58/54/465525854.db2.gz IGRHDEMJOWATGO-SZVBFZGTSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348275178 465525860 /nfs/dbraw/zinc/52/58/60/465525860.db2.gz IGRHDEMJOWATGO-SZVBFZGTSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348275178 465525864 /nfs/dbraw/zinc/52/58/64/465525864.db2.gz IGRHDEMJOWATGO-SZVBFZGTSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275178 465525869 /nfs/dbraw/zinc/52/58/69/465525869.db2.gz IGRHDEMJOWATGO-SZVBFZGTSA-N 2 2 334.508 2.093 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000360862216 465617620 /nfs/dbraw/zinc/61/76/20/465617620.db2.gz XSTLQMCHJRVYEY-UHFFFAOYSA-N 2 2 339.443 2.322 20 30 EEEDLP C[N@H+](CCN1CC[NH+](Cc2ccc(C#N)cn2)CC1)Cc1ccccc1 ZINC000593958184 468444255 /nfs/dbraw/zinc/44/42/55/468444255.db2.gz QRUCBEDCPUCZAQ-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP C[N@@H+](CCN1CC[NH+](Cc2ccc(C#N)cn2)CC1)Cc1ccccc1 ZINC000593958184 468444257 /nfs/dbraw/zinc/44/42/57/468444257.db2.gz QRUCBEDCPUCZAQ-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP C=CCc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc(OC)c1O ZINC000353361796 465828125 /nfs/dbraw/zinc/82/81/25/465828125.db2.gz BBCSLHVEPXHDKL-UHFFFAOYSA-N 2 2 334.460 2.018 20 30 EEEDLP C=CCc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc(OC)c1O ZINC000353361796 465828134 /nfs/dbraw/zinc/82/81/34/465828134.db2.gz BBCSLHVEPXHDKL-UHFFFAOYSA-N 2 2 334.460 2.018 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000361787579 466287751 /nfs/dbraw/zinc/28/77/51/466287751.db2.gz IXRGBESMOLEUEX-JENIJYKNSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000361787579 466287762 /nfs/dbraw/zinc/28/77/62/466287762.db2.gz IXRGBESMOLEUEX-JENIJYKNSA-N 2 2 329.444 2.250 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362081478 466539622 /nfs/dbraw/zinc/53/96/22/466539622.db2.gz WPNBDBVXZIRJMB-DNVCBOLYSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362081478 466539629 /nfs/dbraw/zinc/53/96/29/466539629.db2.gz WPNBDBVXZIRJMB-DNVCBOLYSA-N 2 2 330.451 2.155 20 30 EEEDLP C=CCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364694059 466711915 /nfs/dbraw/zinc/71/19/15/466711915.db2.gz GLZRKGRNUKYSPO-QXAKKESOSA-N 2 2 334.508 2.452 20 30 EEEDLP C=CCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364694059 466711920 /nfs/dbraw/zinc/71/19/20/466711920.db2.gz GLZRKGRNUKYSPO-QXAKKESOSA-N 2 2 334.508 2.452 20 30 EEEDLP C=CCC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364694059 466711925 /nfs/dbraw/zinc/71/19/25/466711925.db2.gz GLZRKGRNUKYSPO-QXAKKESOSA-N 2 2 334.508 2.452 20 30 EEEDLP C=CCC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364694059 466711930 /nfs/dbraw/zinc/71/19/30/466711930.db2.gz GLZRKGRNUKYSPO-QXAKKESOSA-N 2 2 334.508 2.452 20 30 EEEDLP C[C@H](c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1)[NH+]1CCOCC1 ZINC000424141486 466988190 /nfs/dbraw/zinc/98/81/90/466988190.db2.gz CSGDNGIOEHQZIL-PBHICJAKSA-N 2 2 330.432 2.039 20 30 EEEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000589266746 468140170 /nfs/dbraw/zinc/14/01/70/468140170.db2.gz CWAZFRXEDGWALX-OAHLLOKOSA-N 2 2 342.443 2.184 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603308843 469343928 /nfs/dbraw/zinc/34/39/28/469343928.db2.gz DPAWTAJYXWJXNQ-UHFFFAOYSA-N 2 2 338.459 2.182 20 30 EEEDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426624 469393108 /nfs/dbraw/zinc/39/31/08/469393108.db2.gz CDLUEDHIIRMEGN-XLIONFOSSA-N 2 2 342.487 2.005 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000730095489 576713781 /nfs/dbraw/zinc/71/37/81/576713781.db2.gz GOXLDIFLLNFFMO-IRXDYDNUSA-N 2 2 329.444 2.020 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000730095489 576713783 /nfs/dbraw/zinc/71/37/83/576713783.db2.gz GOXLDIFLLNFFMO-IRXDYDNUSA-N 2 2 329.444 2.020 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000748814527 577967238 /nfs/dbraw/zinc/96/72/38/577967238.db2.gz AGUFSUTXMOZWIF-IBGZPJMESA-N 2 2 347.890 2.404 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646459 676301954 /nfs/dbraw/zinc/30/19/54/676301954.db2.gz OUQPJJXCYDUTRL-JKSUJKDBSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646459 676301955 /nfs/dbraw/zinc/30/19/55/676301955.db2.gz OUQPJJXCYDUTRL-JKSUJKDBSA-N 2 2 336.867 2.339 20 30 EEEDLP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971717999 676757839 /nfs/dbraw/zinc/75/78/39/676757839.db2.gz AMESIMWWFWRGGA-KZNAEPCWSA-N 2 2 349.438 2.118 20 30 EEEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971717999 676757841 /nfs/dbraw/zinc/75/78/41/676757841.db2.gz AMESIMWWFWRGGA-KZNAEPCWSA-N 2 2 349.438 2.118 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022287608 676797366 /nfs/dbraw/zinc/79/73/66/676797366.db2.gz NOQSYYLLNNLYNX-CALCHBBNSA-N 2 2 345.406 2.485 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC001022423649 676891000 /nfs/dbraw/zinc/89/10/00/676891000.db2.gz FAXLORGQXWJOGN-CALCHBBNSA-N 2 2 345.406 2.257 20 30 EEEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCOc2ccccc21 ZINC000262556241 679543075 /nfs/dbraw/zinc/54/30/75/679543075.db2.gz VBGNFCNQVBKWKI-MRXNPFEDSA-N 2 2 339.443 2.190 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC001024487481 679967435 /nfs/dbraw/zinc/96/74/35/679967435.db2.gz PVTKOAQIRQVEIE-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(F)(F)F ZINC001024487481 679967447 /nfs/dbraw/zinc/96/74/47/679967447.db2.gz PVTKOAQIRQVEIE-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC001024487481 679967427 /nfs/dbraw/zinc/96/74/27/679967427.db2.gz PVTKOAQIRQVEIE-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(F)(F)F ZINC001024487481 679967442 /nfs/dbraw/zinc/96/74/42/679967442.db2.gz PVTKOAQIRQVEIE-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001026897194 685280004 /nfs/dbraw/zinc/28/00/04/685280004.db2.gz MXFVMRBRUWFNPJ-ZTFGCOKTSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001026897194 685280006 /nfs/dbraw/zinc/28/00/06/685280006.db2.gz MXFVMRBRUWFNPJ-ZTFGCOKTSA-N 2 2 349.438 2.023 20 30 EEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982833515 681357839 /nfs/dbraw/zinc/35/78/39/681357839.db2.gz MKYBKCVPTYVVRJ-RLLQIKCJSA-N 2 2 342.487 2.041 20 30 EEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982833515 681357842 /nfs/dbraw/zinc/35/78/42/681357842.db2.gz MKYBKCVPTYVVRJ-RLLQIKCJSA-N 2 2 342.487 2.041 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982735262 682120520 /nfs/dbraw/zinc/12/05/20/682120520.db2.gz GXGABNXSHUEURE-KDURUIRLSA-N 2 2 330.476 2.434 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982735262 682120525 /nfs/dbraw/zinc/12/05/25/682120525.db2.gz GXGABNXSHUEURE-KDURUIRLSA-N 2 2 330.476 2.434 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303667 682409062 /nfs/dbraw/zinc/40/90/62/682409062.db2.gz ITYCINQLTLUMFM-HZPDHXFCSA-N 2 2 336.867 2.481 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303667 682409064 /nfs/dbraw/zinc/40/90/64/682409064.db2.gz ITYCINQLTLUMFM-HZPDHXFCSA-N 2 2 336.867 2.481 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001026271131 684166929 /nfs/dbraw/zinc/16/69/29/684166929.db2.gz KXAIKKWAULDDOK-CGTJXYLNSA-N 2 2 342.487 2.165 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]12 ZINC001026401048 684568180 /nfs/dbraw/zinc/56/81/80/684568180.db2.gz UBWQIKXXIGGGRZ-MGPQQGTHSA-N 2 2 336.867 2.266 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000987309607 689592257 /nfs/dbraw/zinc/59/22/57/689592257.db2.gz JHYPNHBHNNDPEV-UKRRQHHQSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987565197 689840153 /nfs/dbraw/zinc/84/01/53/689840153.db2.gz DOQMVMFTJJZDCM-GDBMZVCRSA-N 2 2 333.501 2.261 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987565197 689840158 /nfs/dbraw/zinc/84/01/58/689840158.db2.gz DOQMVMFTJJZDCM-GDBMZVCRSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943256700 1192144932 /nfs/dbraw/zinc/14/49/32/1192144932.db2.gz TVDBFRZASZUYPL-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943256700 1192144935 /nfs/dbraw/zinc/14/49/35/1192144935.db2.gz TVDBFRZASZUYPL-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353271 1194473573 /nfs/dbraw/zinc/47/35/73/1194473573.db2.gz FSJWAMPIDLQTCC-JKSUJKDBSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353271 1194473575 /nfs/dbraw/zinc/47/35/75/1194473575.db2.gz FSJWAMPIDLQTCC-JKSUJKDBSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353271 1194473567 /nfs/dbraw/zinc/47/35/67/1194473567.db2.gz FSJWAMPIDLQTCC-JKSUJKDBSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353271 1194473569 /nfs/dbraw/zinc/47/35/69/1194473569.db2.gz FSJWAMPIDLQTCC-JKSUJKDBSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877577 1195416073 /nfs/dbraw/zinc/41/60/73/1195416073.db2.gz KEPXEFGZVHOAKY-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877577 1195416074 /nfs/dbraw/zinc/41/60/74/1195416074.db2.gz KEPXEFGZVHOAKY-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034493566 1196283467 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C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986586 1246283238 /nfs/dbraw/zinc/28/32/38/1246283238.db2.gz BASYECQLGYGESI-IAGOWNOFSA-N 2 2 344.503 2.412 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205062 1247709321 /nfs/dbraw/zinc/70/93/21/1247709321.db2.gz KBQAZJDWBQUODC-IEBWSBKVSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205062 1247709328 /nfs/dbraw/zinc/70/93/28/1247709328.db2.gz KBQAZJDWBQUODC-IEBWSBKVSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)cc2C1 ZINC001054265149 1247935035 /nfs/dbraw/zinc/93/50/35/1247935035.db2.gz GBDGFFNRXOEYHY-VQTJNVASSA-N 2 2 337.467 2.126 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)cc2C1 ZINC001054265149 1247935044 /nfs/dbraw/zinc/93/50/44/1247935044.db2.gz GBDGFFNRXOEYHY-VQTJNVASSA-N 2 2 337.467 2.126 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)cc2C1 ZINC001054265149 1247935054 /nfs/dbraw/zinc/93/50/54/1247935054.db2.gz GBDGFFNRXOEYHY-VQTJNVASSA-N 2 2 337.467 2.126 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)cc2C1 ZINC001054265149 1247935059 /nfs/dbraw/zinc/93/50/59/1247935059.db2.gz GBDGFFNRXOEYHY-VQTJNVASSA-N 2 2 337.467 2.126 20 30 EEEDLP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCc4[nH+]ccn43)cc2C1 ZINC001054268377 1247945182 /nfs/dbraw/zinc/94/51/82/1247945182.db2.gz XDCDGRJBCUCDBB-LJQANCHMSA-N 2 2 348.450 2.416 20 30 EEEDLP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCc4[nH+]ccn43)cc2C1 ZINC001054268377 1247945195 /nfs/dbraw/zinc/94/51/95/1247945195.db2.gz XDCDGRJBCUCDBB-LJQANCHMSA-N 2 2 348.450 2.416 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269645 1247953066 /nfs/dbraw/zinc/95/30/66/1247953066.db2.gz ITKKOHJLFODVFI-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269645 1247953074 /nfs/dbraw/zinc/95/30/74/1247953074.db2.gz ITKKOHJLFODVFI-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269645 1247953085 /nfs/dbraw/zinc/95/30/85/1247953085.db2.gz ITKKOHJLFODVFI-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)cc2C1 ZINC001054269645 1247953095 /nfs/dbraw/zinc/95/30/95/1247953095.db2.gz ITKKOHJLFODVFI-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2C1 ZINC001054269723 1247954381 /nfs/dbraw/zinc/95/43/81/1247954381.db2.gz NUYJDUJQXUUNBG-QGZVFWFLSA-N 2 2 348.450 2.101 20 30 EEEDLP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2C1 ZINC001054269723 1247954390 /nfs/dbraw/zinc/95/43/90/1247954390.db2.gz NUYJDUJQXUUNBG-QGZVFWFLSA-N 2 2 348.450 2.101 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001193433791 1282512399 /nfs/dbraw/zinc/51/23/99/1282512399.db2.gz VCXPJWABSBSIQP-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001193433791 1282512408 /nfs/dbraw/zinc/51/24/08/1282512408.db2.gz VCXPJWABSBSIQP-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C[NH+](C)CCC[N@@H+]1CCC[C@]12CCN(Cc1cccc(C#N)c1)C2=O ZINC001273711923 1283901266 /nfs/dbraw/zinc/90/12/66/1283901266.db2.gz MRAHMTBHFQJINP-HXUWFJFHSA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+](C)CCC[N@H+]1CCC[C@]12CCN(Cc1cccc(C#N)c1)C2=O ZINC001273711923 1283901272 /nfs/dbraw/zinc/90/12/72/1283901272.db2.gz MRAHMTBHFQJINP-HXUWFJFHSA-N 2 2 340.471 2.077 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071870742 1294955863 /nfs/dbraw/zinc/95/58/63/1294955863.db2.gz CYSPBFFCOUFWKX-ZBFHGGJFSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071870742 1294955870 /nfs/dbraw/zinc/95/58/70/1294955870.db2.gz CYSPBFFCOUFWKX-ZBFHGGJFSA-N 2 2 327.900 2.440 20 30 EEEDLP C#Cc1cccc(C[N@H+]2CCC[C@@]23CCN(Cc2c[nH+]cn2C)C3=O)c1 ZINC001276715494 1296643675 /nfs/dbraw/zinc/64/36/75/1296643675.db2.gz DAIPWGOEQCQSJV-NRFANRHFSA-N 2 2 348.450 2.169 20 30 EEEDLP C#Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(Cc2c[nH+]cn2C)C3=O)c1 ZINC001276715494 1296643696 /nfs/dbraw/zinc/64/36/96/1296643696.db2.gz DAIPWGOEQCQSJV-NRFANRHFSA-N 2 2 348.450 2.169 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223522241 1300164246 /nfs/dbraw/zinc/16/42/46/1300164246.db2.gz NNHUTVHBZPFNSZ-MTNOOBJLSA-N 2 2 342.487 2.413 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223522241 1300164249 /nfs/dbraw/zinc/16/42/49/1300164249.db2.gz NNHUTVHBZPFNSZ-MTNOOBJLSA-N 2 2 342.487 2.413 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001225591646 1301077545 /nfs/dbraw/zinc/07/75/45/1301077545.db2.gz WKUHXNZJQMZPRU-SFHVURJKSA-N 2 2 330.476 2.089 20 30 EEEDLP CC[C@H](C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)[NH+](C)C ZINC001227979777 1302038205 /nfs/dbraw/zinc/03/82/05/1302038205.db2.gz KLIPRNPSKOZOTC-GOSISDBHSA-N 2 2 346.450 2.118 20 30 EEEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001103282362 1302642765 /nfs/dbraw/zinc/64/27/65/1302642765.db2.gz QGRQBUTVAXKVSP-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001103282362 1302642775 /nfs/dbraw/zinc/64/27/75/1302642775.db2.gz QGRQBUTVAXKVSP-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP CCOCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859394 1304939790 /nfs/dbraw/zinc/93/97/90/1304939790.db2.gz YAKFKHUMFKHLKK-LJQANCHMSA-N 2 2 330.476 2.221 20 30 EEEDLP CCOCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859394 1304939794 /nfs/dbraw/zinc/93/97/94/1304939794.db2.gz YAKFKHUMFKHLKK-LJQANCHMSA-N 2 2 330.476 2.221 20 30 EEEDLP CCOCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859394 1304939799 /nfs/dbraw/zinc/93/97/99/1304939799.db2.gz YAKFKHUMFKHLKK-LJQANCHMSA-N 2 2 330.476 2.221 20 30 EEEDLP CCOCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859394 1304939804 /nfs/dbraw/zinc/93/98/04/1304939804.db2.gz YAKFKHUMFKHLKK-LJQANCHMSA-N 2 2 330.476 2.221 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCCCC1 ZINC001115650021 1305563265 /nfs/dbraw/zinc/56/32/65/1305563265.db2.gz IVGCGBHNWCZCDL-SFHVURJKSA-N 2 2 349.519 2.082 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCCCC1 ZINC001115650021 1305563278 /nfs/dbraw/zinc/56/32/78/1305563278.db2.gz IVGCGBHNWCZCDL-SFHVURJKSA-N 2 2 349.519 2.082 20 30 EEEDLP C=CCN1CCN(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000840044783 1315282702 /nfs/dbraw/zinc/28/27/02/1315282702.db2.gz SOLHCRRKENZABE-UHFFFAOYSA-N 2 2 331.464 2.256 20 30 EEEDLP C=CCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001252597838 1317643368 /nfs/dbraw/zinc/64/33/68/1317643368.db2.gz FETLLAPSJKVHBK-SFHVURJKSA-N 2 2 332.492 2.178 20 30 EEEDLP C=CCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001252597838 1317643375 /nfs/dbraw/zinc/64/33/75/1317643375.db2.gz FETLLAPSJKVHBK-SFHVURJKSA-N 2 2 332.492 2.178 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158172056 1319058483 /nfs/dbraw/zinc/05/84/83/1319058483.db2.gz WSRMHBVLVBYXDP-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158172056 1319058497 /nfs/dbraw/zinc/05/84/97/1319058497.db2.gz WSRMHBVLVBYXDP-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP Cc1c(Cl)c(Cl)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160511565 1320179740 /nfs/dbraw/zinc/17/97/40/1320179740.db2.gz OXZVMYUIZOHYSP-HNNXBMFYSA-N 2 2 340.258 2.404 20 30 EEEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959487 1320696380 /nfs/dbraw/zinc/69/63/80/1320696380.db2.gz UAWABOQILKEHGI-SFHVURJKSA-N 2 2 328.460 2.009 20 30 EEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959487 1320696385 /nfs/dbraw/zinc/69/63/85/1320696385.db2.gz UAWABOQILKEHGI-SFHVURJKSA-N 2 2 328.460 2.009 20 30 EEEDLP C#CC[NH2+]CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001263065000 1322428686 /nfs/dbraw/zinc/42/86/86/1322428686.db2.gz QOQBMBIVXWXTII-UHFFFAOYSA-N 2 2 347.462 2.143 20 30 EEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccccc1C#N ZINC001318498055 1332552275 /nfs/dbraw/zinc/55/22/75/1332552275.db2.gz RMOGJLVRQDLZAX-UHFFFAOYSA-N 2 2 333.351 2.465 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001488683688 1369030880 /nfs/dbraw/zinc/03/08/80/1369030880.db2.gz LBQMFVWPFQJSSA-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001488683688 1369030884 /nfs/dbraw/zinc/03/08/84/1369030884.db2.gz LBQMFVWPFQJSSA-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001488683688 1369030889 /nfs/dbraw/zinc/03/08/89/1369030889.db2.gz LBQMFVWPFQJSSA-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001488683688 1369030894 /nfs/dbraw/zinc/03/08/94/1369030894.db2.gz LBQMFVWPFQJSSA-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001112410657 1371433763 /nfs/dbraw/zinc/43/37/63/1371433763.db2.gz JSQWLVKYPUXMFP-MKSNKDDYSA-N 2 2 328.460 2.308 20 30 EEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001112410657 1371433768 /nfs/dbraw/zinc/43/37/68/1371433768.db2.gz JSQWLVKYPUXMFP-MKSNKDDYSA-N 2 2 328.460 2.308 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCCO1 ZINC001200510811 1373042766 /nfs/dbraw/zinc/04/27/66/1373042766.db2.gz SQRHUKZYGGIMGS-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366818905 1374034313 /nfs/dbraw/zinc/03/43/13/1374034313.db2.gz LQOCOMMEUSNRIT-HNNXBMFYSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366818905 1374034316 /nfs/dbraw/zinc/03/43/16/1374034316.db2.gz LQOCOMMEUSNRIT-HNNXBMFYSA-N 2 2 327.900 2.394 20 30 EEEDLP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001752985968 1406589852 /nfs/dbraw/zinc/58/98/52/1406589852.db2.gz QMCHRXNWFDUNML-SFHVURJKSA-N 2 2 338.455 2.080 20 30 EEEDLP C=C(Br)C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001402079492 1397752260 /nfs/dbraw/zinc/75/22/60/1397752260.db2.gz MTHHTSSGWRTPDY-UHFFFAOYSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001755678730 1407726402 /nfs/dbraw/zinc/72/64/02/1407726402.db2.gz OCFMJENQZWGTHN-JKSUJKDBSA-N 2 2 330.476 2.307 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC2)c1 ZINC001772050652 1410025443 /nfs/dbraw/zinc/02/54/43/1410025443.db2.gz RDQCDRYYPPVTIL-INIZCTEOSA-N 2 2 341.377 2.426 20 30 EEEDLP C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1)n1cc[nH+]c1 ZINC001167432690 759358762 /nfs/dbraw/zinc/35/87/62/759358762.db2.gz XKDSLGZSRZNJOC-AWEZNQCLSA-N 2 2 343.406 2.141 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104366948 759824242 /nfs/dbraw/zinc/82/42/42/759824242.db2.gz AOFDKXXXYCSLBY-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031666330 770762604 /nfs/dbraw/zinc/76/26/04/770762604.db2.gz MNOSHTKURKTSOA-KRWDZBQOSA-N 2 2 346.500 2.041 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031666330 770762611 /nfs/dbraw/zinc/76/26/11/770762611.db2.gz MNOSHTKURKTSOA-KRWDZBQOSA-N 2 2 346.500 2.041 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC000979731540 770977843 /nfs/dbraw/zinc/97/78/43/770977843.db2.gz PWYYDLXBRZFVSC-ULQDDVLXSA-N 2 2 342.487 2.165 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC000979731540 770977845 /nfs/dbraw/zinc/97/78/45/770977845.db2.gz PWYYDLXBRZFVSC-ULQDDVLXSA-N 2 2 342.487 2.165 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979988899 773668062 /nfs/dbraw/zinc/66/80/62/773668062.db2.gz PLPKRURPVZJADS-ULQDDVLXSA-N 2 2 330.476 2.329 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979988899 773668065 /nfs/dbraw/zinc/66/80/65/773668065.db2.gz PLPKRURPVZJADS-ULQDDVLXSA-N 2 2 330.476 2.329 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000981456972 777443692 /nfs/dbraw/zinc/44/36/92/777443692.db2.gz HGWVVABEEOKLQE-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000981456972 777443699 /nfs/dbraw/zinc/44/36/99/777443699.db2.gz HGWVVABEEOKLQE-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000981456972 777443703 /nfs/dbraw/zinc/44/37/03/777443703.db2.gz HGWVVABEEOKLQE-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005604 778842517 /nfs/dbraw/zinc/84/25/17/778842517.db2.gz UUSJEQGFPUQNHE-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005604 778842527 /nfs/dbraw/zinc/84/25/27/778842527.db2.gz UUSJEQGFPUQNHE-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786898 783316694 /nfs/dbraw/zinc/31/66/94/783316694.db2.gz UZSXNIYHFLMMAJ-XMTFNYHQSA-N 2 2 342.487 2.270 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786898 783316702 /nfs/dbraw/zinc/31/67/02/783316702.db2.gz UZSXNIYHFLMMAJ-XMTFNYHQSA-N 2 2 342.487 2.270 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001131976281 783539445 /nfs/dbraw/zinc/53/94/45/783539445.db2.gz JOBDNHBDNCEFIZ-UHFFFAOYSA-N 2 2 345.406 2.264 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338527 783558399 /nfs/dbraw/zinc/55/83/99/783558399.db2.gz IAIDPDFKPQRLPT-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338527 783558402 /nfs/dbraw/zinc/55/84/02/783558402.db2.gz IAIDPDFKPQRLPT-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036304370 786178058 /nfs/dbraw/zinc/17/80/58/786178058.db2.gz PPZLPJNOIFPUFM-GOEBONIOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036304370 786178062 /nfs/dbraw/zinc/17/80/62/786178062.db2.gz PPZLPJNOIFPUFM-GOEBONIOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991446485 788805107 /nfs/dbraw/zinc/80/51/07/788805107.db2.gz LHKAWGCLZXDRGQ-SZVBFZGTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991446485 788805118 /nfs/dbraw/zinc/80/51/18/788805118.db2.gz LHKAWGCLZXDRGQ-SZVBFZGTSA-N 2 2 328.460 2.135 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955597 793096524 /nfs/dbraw/zinc/09/65/24/793096524.db2.gz RHYRCQCVKIAZHQ-KRWDZBQOSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992186284 793124295 /nfs/dbraw/zinc/12/42/95/793124295.db2.gz GABWCAYQSFBVDO-YSVLISHTSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992186284 793124301 /nfs/dbraw/zinc/12/43/01/793124301.db2.gz GABWCAYQSFBVDO-YSVLISHTSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992186284 793124306 /nfs/dbraw/zinc/12/43/06/793124306.db2.gz GABWCAYQSFBVDO-YSVLISHTSA-N 2 2 325.884 2.194 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992186284 793124310 /nfs/dbraw/zinc/12/43/10/793124310.db2.gz GABWCAYQSFBVDO-YSVLISHTSA-N 2 2 325.884 2.194 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092003307 793481150 /nfs/dbraw/zinc/48/11/50/793481150.db2.gz LENJJRKUPUFZQN-VCBZYWHSSA-N 2 2 328.460 2.186 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092003307 793481156 /nfs/dbraw/zinc/48/11/56/793481156.db2.gz LENJJRKUPUFZQN-VCBZYWHSSA-N 2 2 328.460 2.186 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992396713 793950767 /nfs/dbraw/zinc/95/07/67/793950767.db2.gz XRSONLATYSQXKU-MJGOQNOKSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992396713 793950772 /nfs/dbraw/zinc/95/07/72/793950772.db2.gz XRSONLATYSQXKU-MJGOQNOKSA-N 2 2 337.427 2.180 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000999213391 794024873 /nfs/dbraw/zinc/02/48/73/794024873.db2.gz CSEAPIGETFNIEW-CQSZACIVSA-N 2 2 336.867 2.095 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870483 795593844 /nfs/dbraw/zinc/59/38/44/795593844.db2.gz WBIRVZHHILAJHN-KBPBESRZSA-N 2 2 336.867 2.363 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870483 795593852 /nfs/dbraw/zinc/59/38/52/795593852.db2.gz WBIRVZHHILAJHN-KBPBESRZSA-N 2 2 336.867 2.363 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001081128268 796660122 /nfs/dbraw/zinc/66/01/22/796660122.db2.gz QIROVQBICCZCSG-VXIBKDFQSA-N 2 2 336.439 2.283 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081128268 796660125 /nfs/dbraw/zinc/66/01/25/796660125.db2.gz QIROVQBICCZCSG-VXIBKDFQSA-N 2 2 336.439 2.283 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001171919128 796799092 /nfs/dbraw/zinc/79/90/92/796799092.db2.gz WOLMMUPLDGGCLA-ZWKOTPCHSA-N 2 2 339.524 2.328 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001171919128 796799095 /nfs/dbraw/zinc/79/90/95/796799095.db2.gz WOLMMUPLDGGCLA-ZWKOTPCHSA-N 2 2 339.524 2.328 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991006 797201016 /nfs/dbraw/zinc/20/10/16/797201016.db2.gz TYVSBBZQFGPMLL-QZWWFDLISA-N 2 2 348.491 2.304 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991006 797201018 /nfs/dbraw/zinc/20/10/18/797201018.db2.gz TYVSBBZQFGPMLL-QZWWFDLISA-N 2 2 348.491 2.304 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991006 797201024 /nfs/dbraw/zinc/20/10/24/797201024.db2.gz TYVSBBZQFGPMLL-QZWWFDLISA-N 2 2 348.491 2.304 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991006 797201030 /nfs/dbraw/zinc/20/10/30/797201030.db2.gz TYVSBBZQFGPMLL-QZWWFDLISA-N 2 2 348.491 2.304 20 30 EEEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001177371788 798887355 /nfs/dbraw/zinc/88/73/55/798887355.db2.gz IBXNTZVLCUNZGA-UHFFFAOYSA-N 2 2 344.503 2.375 20 30 EEEDLP C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448362 798939069 /nfs/dbraw/zinc/93/90/69/798939069.db2.gz KPLIEGCPOOPPMZ-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001179820712 800098490 /nfs/dbraw/zinc/09/84/90/800098490.db2.gz ZFBFMHLYYNOIBJ-UHFFFAOYSA-N 2 2 340.471 2.475 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673599 801027907 /nfs/dbraw/zinc/02/79/07/801027907.db2.gz ALJVNPZNFCOLJV-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673599 801027913 /nfs/dbraw/zinc/02/79/13/801027913.db2.gz ALJVNPZNFCOLJV-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085673599 801027920 /nfs/dbraw/zinc/02/79/20/801027920.db2.gz ALJVNPZNFCOLJV-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085673599 801027927 /nfs/dbraw/zinc/02/79/27/801027927.db2.gz ALJVNPZNFCOLJV-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108206596 801117356 /nfs/dbraw/zinc/11/73/56/801117356.db2.gz HHCVGEGBYWRUCG-HNAYVOBHSA-N 2 2 346.475 2.003 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108206596 801117361 /nfs/dbraw/zinc/11/73/61/801117361.db2.gz HHCVGEGBYWRUCG-HNAYVOBHSA-N 2 2 346.475 2.003 20 30 EEEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004456883 802117360 /nfs/dbraw/zinc/11/73/60/802117360.db2.gz IDULNOSJZOICQE-RBUKOAKNSA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004456883 802117369 /nfs/dbraw/zinc/11/73/69/802117369.db2.gz IDULNOSJZOICQE-RBUKOAKNSA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004456883 802117377 /nfs/dbraw/zinc/11/73/77/802117377.db2.gz IDULNOSJZOICQE-RBUKOAKNSA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004456883 802117381 /nfs/dbraw/zinc/11/73/81/802117381.db2.gz IDULNOSJZOICQE-RBUKOAKNSA-N 2 2 346.519 2.191 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595737 802448959 /nfs/dbraw/zinc/44/89/59/802448959.db2.gz IHDHFGVRQJMHPL-KRWDZBQOSA-N 2 2 342.487 2.414 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595737 802448962 /nfs/dbraw/zinc/44/89/62/802448962.db2.gz IHDHFGVRQJMHPL-KRWDZBQOSA-N 2 2 342.487 2.414 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001185307225 802452859 /nfs/dbraw/zinc/45/28/59/802452859.db2.gz PGYNXJPJSSKIOW-IRXDYDNUSA-N 2 2 340.471 2.445 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033199376 803064745 /nfs/dbraw/zinc/06/47/45/803064745.db2.gz RTIFBPYJMZIYBH-PMACEKPBSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033199376 803064752 /nfs/dbraw/zinc/06/47/52/803064752.db2.gz RTIFBPYJMZIYBH-PMACEKPBSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199376 803064756 /nfs/dbraw/zinc/06/47/56/803064756.db2.gz RTIFBPYJMZIYBH-PMACEKPBSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199376 803064760 /nfs/dbraw/zinc/06/47/60/803064760.db2.gz RTIFBPYJMZIYBH-PMACEKPBSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001496108747 1102077370 /nfs/dbraw/zinc/07/73/70/1102077370.db2.gz SJLVCMZCYGYPQL-HNNXBMFYSA-N 2 2 347.422 2.456 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001447948809 1103671848 /nfs/dbraw/zinc/67/18/48/1103671848.db2.gz XWXQMFRCYRKDHX-UHFFFAOYSA-N 2 2 338.883 2.464 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)CC1 ZINC000267184766 201221121 /nfs/dbraw/zinc/22/11/21/201221121.db2.gz KNOIWVVIKZXYAT-UHFFFAOYSA-N 2 2 340.402 2.427 20 30 EEEDLP Cc1sc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000130369573 205238043 /nfs/dbraw/zinc/23/80/43/205238043.db2.gz AKGZPOWIGKSSDO-UHFFFAOYSA-N 2 2 331.445 2.394 20 30 EEEDLP Cc1sc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000130369573 205238045 /nfs/dbraw/zinc/23/80/45/205238045.db2.gz AKGZPOWIGKSSDO-UHFFFAOYSA-N 2 2 331.445 2.394 20 30 EEEDLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000278907445 269250518 /nfs/dbraw/zinc/25/05/18/269250518.db2.gz VOBPJBIXTBHLFI-VQTJNVASSA-N 2 2 343.471 2.306 20 30 EEEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2ccccc2C1 ZINC000263263162 273481513 /nfs/dbraw/zinc/48/15/13/273481513.db2.gz UDCHXFHADFRLTI-UHFFFAOYSA-N 2 2 337.471 2.396 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cnc12 ZINC000549763609 318440713 /nfs/dbraw/zinc/44/07/13/318440713.db2.gz JEMZQZFWVWWWMM-UHFFFAOYSA-N 2 2 343.394 2.136 20 30 EEEDLP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000567617931 319397840 /nfs/dbraw/zinc/39/78/40/319397840.db2.gz ZUWLMLAXBMPHQF-MRXNPFEDSA-N 2 2 339.443 2.296 20 30 EEEDLP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328647879 465087527 /nfs/dbraw/zinc/08/75/27/465087527.db2.gz HTZZWCNNYDRJTK-HZPDHXFCSA-N 2 2 333.480 2.304 20 30 EEEDLP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328647879 465087529 /nfs/dbraw/zinc/08/75/29/465087529.db2.gz HTZZWCNNYDRJTK-HZPDHXFCSA-N 2 2 333.480 2.304 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2ccc(Cl)s2)CC1 ZINC000490948009 468274220 /nfs/dbraw/zinc/27/42/20/468274220.db2.gz CGRWEYFQXIODKF-CYBMUJFWSA-N 2 2 339.892 2.220 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1(C#N)CCCCC1 ZINC000150858849 463441997 /nfs/dbraw/zinc/44/19/97/463441997.db2.gz KLYRRAIOGXCHPR-KRWDZBQOSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1(C#N)CCCCC1 ZINC000150858849 463442004 /nfs/dbraw/zinc/44/20/04/463442004.db2.gz KLYRRAIOGXCHPR-KRWDZBQOSA-N 2 2 332.492 2.089 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1 ZINC000161751815 463454642 /nfs/dbraw/zinc/45/46/42/463454642.db2.gz INZOCJPUQVZRJI-RHSMWYFYSA-N 2 2 325.460 2.137 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@H+]1C1CC1 ZINC000161751815 463454645 /nfs/dbraw/zinc/45/46/45/463454645.db2.gz INZOCJPUQVZRJI-RHSMWYFYSA-N 2 2 325.460 2.137 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000112731253 463706441 /nfs/dbraw/zinc/70/64/41/463706441.db2.gz VGQMAVKFVSJZHL-GOSISDBHSA-N 2 2 334.508 2.192 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000112731253 463706442 /nfs/dbraw/zinc/70/64/42/463706442.db2.gz VGQMAVKFVSJZHL-GOSISDBHSA-N 2 2 334.508 2.192 20 30 EEEDLP CCN(CC)C(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000177571542 463739829 /nfs/dbraw/zinc/73/98/29/463739829.db2.gz CLEJUXGKMUSQIQ-UHFFFAOYSA-N 2 2 346.475 2.178 20 30 EEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCc2ccccc2C1 ZINC000262186432 463967674 /nfs/dbraw/zinc/96/76/74/463967674.db2.gz GFGHGTFJEQBHFB-KRWDZBQOSA-N 2 2 337.471 2.442 20 30 EEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000278651175 463974660 /nfs/dbraw/zinc/97/46/60/463974660.db2.gz PUZGCWJDAXGUSN-IBGZPJMESA-N 2 2 342.443 2.042 20 30 EEEDLP Cc1[nH+]cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1C ZINC000596993937 468410223 /nfs/dbraw/zinc/41/02/23/468410223.db2.gz YYNFRFASSPOZDY-UHFFFAOYSA-N 2 2 346.438 2.471 20 30 EEEDLP Cc1[nH+]cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1C ZINC000596993920 468410813 /nfs/dbraw/zinc/41/08/13/468410813.db2.gz YGTFRQDCUOHOSB-UHFFFAOYSA-N 2 2 337.427 2.451 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000295080407 464697903 /nfs/dbraw/zinc/69/79/03/464697903.db2.gz TWHMXCYSBXQFFN-MRXNPFEDSA-N 2 2 325.460 2.490 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000295080407 464697909 /nfs/dbraw/zinc/69/79/09/464697909.db2.gz TWHMXCYSBXQFFN-MRXNPFEDSA-N 2 2 325.460 2.490 20 30 EEEDLP [NH2+]=C(NCCCn1cc[nH+]c1)NCc1cccc(C(F)(F)F)c1 ZINC000266969815 464889567 /nfs/dbraw/zinc/88/95/67/464889567.db2.gz DLMUAFOZTYJGOB-UHFFFAOYSA-N 2 2 325.338 2.397 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000361218461 465844524 /nfs/dbraw/zinc/84/45/24/465844524.db2.gz YLWVMCISZOHJCS-AWEZNQCLSA-N 2 2 337.489 2.359 20 30 EEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366772639 465925523 /nfs/dbraw/zinc/92/55/23/465925523.db2.gz KYCMGMFSDQRQIP-KSSFIOAISA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366772639 465925527 /nfs/dbraw/zinc/92/55/27/465925527.db2.gz KYCMGMFSDQRQIP-KSSFIOAISA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365278956 466765880 /nfs/dbraw/zinc/76/58/80/466765880.db2.gz XIVHPIYMQKTCOG-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365278956 466765884 /nfs/dbraw/zinc/76/58/84/466765884.db2.gz XIVHPIYMQKTCOG-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000575861758 468154730 /nfs/dbraw/zinc/15/47/30/468154730.db2.gz IJJCVFKPXSWYSL-VDZJLULYSA-N 2 2 330.472 2.370 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000575861758 468154734 /nfs/dbraw/zinc/15/47/34/468154734.db2.gz IJJCVFKPXSWYSL-VDZJLULYSA-N 2 2 330.472 2.370 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000562383727 468947613 /nfs/dbraw/zinc/94/76/13/468947613.db2.gz WPIRJBZKUVEYMY-UHFFFAOYSA-N 2 2 335.455 2.487 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000562383727 468947617 /nfs/dbraw/zinc/94/76/17/468947617.db2.gz WPIRJBZKUVEYMY-UHFFFAOYSA-N 2 2 335.455 2.487 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000610581834 469009467 /nfs/dbraw/zinc/00/94/67/469009467.db2.gz QWGIENKSUZZXPH-CABCVRRESA-N 2 2 341.440 2.259 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000610581834 469009475 /nfs/dbraw/zinc/00/94/75/469009475.db2.gz QWGIENKSUZZXPH-CABCVRRESA-N 2 2 341.440 2.259 20 30 EEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610585842 469011212 /nfs/dbraw/zinc/01/12/12/469011212.db2.gz JHETWSIORQVJIN-CEXWTWQISA-N 2 2 343.471 2.051 20 30 EEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610585842 469011222 /nfs/dbraw/zinc/01/12/22/469011222.db2.gz JHETWSIORQVJIN-CEXWTWQISA-N 2 2 343.471 2.051 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610585842 469011226 /nfs/dbraw/zinc/01/12/26/469011226.db2.gz JHETWSIORQVJIN-CEXWTWQISA-N 2 2 343.471 2.051 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610585842 469011236 /nfs/dbraw/zinc/01/12/36/469011236.db2.gz JHETWSIORQVJIN-CEXWTWQISA-N 2 2 343.471 2.051 20 30 EEEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551729 469277267 /nfs/dbraw/zinc/27/72/67/469277267.db2.gz SRFBWWGBHTYGTL-GOSISDBHSA-N 2 2 327.407 2.213 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609260359 469909998 /nfs/dbraw/zinc/90/99/98/469909998.db2.gz KJMVLMAFWNGGKM-MSOLQXFVSA-N 2 2 340.427 2.026 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609260359 469910001 /nfs/dbraw/zinc/91/00/01/469910001.db2.gz KJMVLMAFWNGGKM-MSOLQXFVSA-N 2 2 340.427 2.026 20 30 EEEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000104158934 533989583 /nfs/dbraw/zinc/98/95/83/533989583.db2.gz LLFFVEDJRCKBQI-KBPBESRZSA-N 2 2 334.464 2.310 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000171709657 526435467 /nfs/dbraw/zinc/43/54/67/526435467.db2.gz LRGJAWZPPJPHHN-UHFFFAOYSA-N 2 2 343.475 2.131 20 30 EEEDLP C=CCNC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160017167 526621805 /nfs/dbraw/zinc/62/18/05/526621805.db2.gz SXJKPMPEGVSJKE-MRXNPFEDSA-N 2 2 330.476 2.311 20 30 EEEDLP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160017167 526621807 /nfs/dbraw/zinc/62/18/07/526621807.db2.gz SXJKPMPEGVSJKE-MRXNPFEDSA-N 2 2 330.476 2.311 20 30 EEEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733329719 577223001 /nfs/dbraw/zinc/22/30/01/577223001.db2.gz XWGAKCGCYSKXSN-IBGZPJMESA-N 2 2 328.456 2.432 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000746502023 577929096 /nfs/dbraw/zinc/92/90/96/577929096.db2.gz NWKSRCCDJXOZFH-FQEVSTJZSA-N 2 2 343.446 2.034 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021610628 676264779 /nfs/dbraw/zinc/26/47/79/676264779.db2.gz JWGJOBHCXIIBEO-WBVHZDCISA-N 2 2 329.444 2.132 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021610628 676264780 /nfs/dbraw/zinc/26/47/80/676264780.db2.gz JWGJOBHCXIIBEO-WBVHZDCISA-N 2 2 329.444 2.132 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039377052 676535146 /nfs/dbraw/zinc/53/51/46/676535146.db2.gz AKPDJXUSKHLZCG-LVQVYYBASA-N 2 2 325.884 2.144 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039377052 676535147 /nfs/dbraw/zinc/53/51/47/676535147.db2.gz AKPDJXUSKHLZCG-LVQVYYBASA-N 2 2 325.884 2.144 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377052 676535148 /nfs/dbraw/zinc/53/51/48/676535148.db2.gz AKPDJXUSKHLZCG-LVQVYYBASA-N 2 2 325.884 2.144 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377052 676535149 /nfs/dbraw/zinc/53/51/49/676535149.db2.gz AKPDJXUSKHLZCG-LVQVYYBASA-N 2 2 325.884 2.144 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339636 678569298 /nfs/dbraw/zinc/56/92/98/678569298.db2.gz OCYNFTXVQZIGPK-LSDHHAIUSA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339636 678569299 /nfs/dbraw/zinc/56/92/99/678569299.db2.gz OCYNFTXVQZIGPK-LSDHHAIUSA-N 2 2 336.867 2.039 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740048 681401066 /nfs/dbraw/zinc/40/10/66/681401066.db2.gz MVGZACFPZTYAKS-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740048 681401067 /nfs/dbraw/zinc/40/10/67/681401067.db2.gz MVGZACFPZTYAKS-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025587070 683054075 /nfs/dbraw/zinc/05/40/75/683054075.db2.gz IPICVPBSYNLWIP-CVEARBPZSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025587070 683054080 /nfs/dbraw/zinc/05/40/80/683054080.db2.gz IPICVPBSYNLWIP-CVEARBPZSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001026271133 684166939 /nfs/dbraw/zinc/16/69/39/684166939.db2.gz KXAIKKWAULDDOK-RYQLBKOJSA-N 2 2 342.487 2.165 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001026583243 684759766 /nfs/dbraw/zinc/75/97/66/684759766.db2.gz MPFFPVNLJLPLFJ-UHFFFAOYSA-N 2 2 337.427 2.041 20 30 EEEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)[NH+](C)C ZINC001029478606 685039833 /nfs/dbraw/zinc/03/98/33/685039833.db2.gz UTIBOAMGMZSZKT-ZCNNSNEGSA-N 2 2 339.483 2.054 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000987341291 689628822 /nfs/dbraw/zinc/62/88/22/689628822.db2.gz JDHHMBXHKSNFEI-ZFWWWQNUSA-N 2 2 345.834 2.212 20 30 EEEDLP N#CCCCN1CC[C@@]2(CCC[N@@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272716792 1191977604 /nfs/dbraw/zinc/97/76/04/1191977604.db2.gz LVYVFSQOKQUUKG-IBGZPJMESA-N 2 2 332.492 2.233 20 30 EEEDLP N#CCCCN1CC[C@@]2(CCC[N@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272716792 1191977606 /nfs/dbraw/zinc/97/76/06/1191977606.db2.gz LVYVFSQOKQUUKG-IBGZPJMESA-N 2 2 332.492 2.233 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950143 1192707116 /nfs/dbraw/zinc/70/71/16/1192707116.db2.gz PCZXRYPYNCYCST-NVXWUHKLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950143 1192707119 /nfs/dbraw/zinc/70/71/19/1192707119.db2.gz PCZXRYPYNCYCST-NVXWUHKLSA-N 2 2 339.443 2.284 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088632133 1188019921 /nfs/dbraw/zinc/01/99/21/1188019921.db2.gz ZYXACICHCMTUOS-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088632133 1188019923 /nfs/dbraw/zinc/01/99/23/1188019923.db2.gz ZYXACICHCMTUOS-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088632133 1188019927 /nfs/dbraw/zinc/01/99/27/1188019927.db2.gz ZYXACICHCMTUOS-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088632133 1188019929 /nfs/dbraw/zinc/01/99/29/1188019929.db2.gz ZYXACICHCMTUOS-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033774490 1195225318 /nfs/dbraw/zinc/22/53/18/1195225318.db2.gz JWDPMTUQTSBYAX-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033774490 1195225321 /nfs/dbraw/zinc/22/53/21/1195225321.db2.gz JWDPMTUQTSBYAX-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033774490 1195225324 /nfs/dbraw/zinc/22/53/24/1195225324.db2.gz JWDPMTUQTSBYAX-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033774490 1195225328 /nfs/dbraw/zinc/22/53/28/1195225328.db2.gz JWDPMTUQTSBYAX-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC#Cc2ccccc2)C1 ZINC001034129240 1195825340 /nfs/dbraw/zinc/82/53/40/1195825340.db2.gz AGYBNIDNAAVRRO-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC#Cc2ccccc2)C1 ZINC001034129240 1195825344 /nfs/dbraw/zinc/82/53/44/1195825344.db2.gz AGYBNIDNAAVRRO-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034129240 1195825345 /nfs/dbraw/zinc/82/53/45/1195825345.db2.gz AGYBNIDNAAVRRO-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034129240 1195825349 /nfs/dbraw/zinc/82/53/49/1195825349.db2.gz AGYBNIDNAAVRRO-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2C#N)C1 ZINC001034136126 1195837196 /nfs/dbraw/zinc/83/71/96/1195837196.db2.gz HWTFMPDUYSLAIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2C#N)C1 ZINC001034136126 1195837198 /nfs/dbraw/zinc/83/71/98/1195837198.db2.gz HWTFMPDUYSLAIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC001034136126 1195837202 /nfs/dbraw/zinc/83/72/02/1195837202.db2.gz HWTFMPDUYSLAIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034136126 1195837206 /nfs/dbraw/zinc/83/72/06/1195837206.db2.gz HWTFMPDUYSLAIC-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014774026 1224328931 /nfs/dbraw/zinc/32/89/31/1224328931.db2.gz AVSVYWKMCIMNRN-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014774026 1224328939 /nfs/dbraw/zinc/32/89/39/1224328939.db2.gz AVSVYWKMCIMNRN-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014774026 1224328948 /nfs/dbraw/zinc/32/89/48/1224328948.db2.gz AVSVYWKMCIMNRN-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014774026 1224328954 /nfs/dbraw/zinc/32/89/54/1224328954.db2.gz AVSVYWKMCIMNRN-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132838800 1200081916 /nfs/dbraw/zinc/08/19/16/1200081916.db2.gz JSDHJDPUMOLSHM-CVEARBPZSA-N 2 2 330.476 2.022 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001114454127 1200537948 /nfs/dbraw/zinc/53/79/48/1200537948.db2.gz XFHRWFDSJUXMLS-RGPZOAQRSA-N 2 2 329.444 2.034 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001114454127 1200537954 /nfs/dbraw/zinc/53/79/54/1200537954.db2.gz XFHRWFDSJUXMLS-RGPZOAQRSA-N 2 2 329.444 2.034 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130250 1204211500 /nfs/dbraw/zinc/21/15/00/1204211500.db2.gz AEELUKCRFOPGTE-GPMSIDNRSA-N 2 2 343.475 2.035 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130250 1204211503 /nfs/dbraw/zinc/21/15/03/1204211503.db2.gz AEELUKCRFOPGTE-GPMSIDNRSA-N 2 2 343.475 2.035 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948567751 1209227904 /nfs/dbraw/zinc/22/79/04/1209227904.db2.gz WPTLVHQWXPQEDG-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948567751 1209227905 /nfs/dbraw/zinc/22/79/05/1209227905.db2.gz WPTLVHQWXPQEDG-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C#CCC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001006433802 1209266008 /nfs/dbraw/zinc/26/60/08/1209266008.db2.gz GCMJSLLVTZNJIW-UHFFFAOYSA-N 2 2 345.512 2.052 20 30 EEEDLP C#CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001006433802 1209266010 /nfs/dbraw/zinc/26/60/10/1209266010.db2.gz GCMJSLLVTZNJIW-UHFFFAOYSA-N 2 2 345.512 2.052 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000948825932 1209404299 /nfs/dbraw/zinc/40/42/99/1209404299.db2.gz YRFFPNYOZIHOJG-QUCCMNQESA-N 2 2 339.483 2.298 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000948825932 1209404300 /nfs/dbraw/zinc/40/43/00/1209404300.db2.gz YRFFPNYOZIHOJG-QUCCMNQESA-N 2 2 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20 30 EEEDLP C[C@H](CC[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000329908352 465470086 /nfs/dbraw/zinc/47/00/86/465470086.db2.gz UIEUPBBNECNGTM-CVEARBPZSA-N 2 2 333.480 2.214 20 30 EEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383413 464543933 /nfs/dbraw/zinc/54/39/33/464543933.db2.gz BOYWIDWPIWJJEO-FXAWDEMLSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383413 464543938 /nfs/dbraw/zinc/54/39/38/464543938.db2.gz BOYWIDWPIWJJEO-FXAWDEMLSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383413 464543943 /nfs/dbraw/zinc/54/39/43/464543943.db2.gz BOYWIDWPIWJJEO-FXAWDEMLSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383413 464543947 /nfs/dbraw/zinc/54/39/47/464543947.db2.gz BOYWIDWPIWJJEO-FXAWDEMLSA-N 2 2 327.472 2.275 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2noc(C(C)(C)C)n2)cc1 ZINC000267041524 464912226 /nfs/dbraw/zinc/91/22/26/464912226.db2.gz YZWDRCYWXFAZQN-UHFFFAOYSA-N 2 2 331.420 2.266 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330329876 465615716 /nfs/dbraw/zinc/61/57/16/465615716.db2.gz MWMXGTIRDCVDKL-BFYDXBDKSA-N 2 2 349.479 2.018 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330329876 465615723 /nfs/dbraw/zinc/61/57/23/465615723.db2.gz MWMXGTIRDCVDKL-BFYDXBDKSA-N 2 2 349.479 2.018 20 30 EEEDLP N#CCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000424338909 467031319 /nfs/dbraw/zinc/03/13/19/467031319.db2.gz PBCOASLCWKECOH-INIZCTEOSA-N 2 2 341.415 2.262 20 30 EEEDLP C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000598593955 468926072 /nfs/dbraw/zinc/92/60/72/468926072.db2.gz YNCWBAXTGVAGCN-LJQANCHMSA-N 2 2 344.503 2.321 20 30 EEEDLP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000598593955 468926076 /nfs/dbraw/zinc/92/60/76/468926076.db2.gz YNCWBAXTGVAGCN-LJQANCHMSA-N 2 2 344.503 2.321 20 30 EEEDLP C[N@H+](Cc1cccc(C#N)n1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602623554 468971131 /nfs/dbraw/zinc/97/11/31/468971131.db2.gz IFRKQDBDVKUEGB-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP C[N@@H+](Cc1cccc(C#N)n1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602623554 468971136 /nfs/dbraw/zinc/97/11/36/468971136.db2.gz IFRKQDBDVKUEGB-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1cccc(C#N)n1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602623554 468971140 /nfs/dbraw/zinc/97/11/40/468971140.db2.gz IFRKQDBDVKUEGB-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1cccc(C#N)n1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602623554 468971145 /nfs/dbraw/zinc/97/11/45/468971145.db2.gz IFRKQDBDVKUEGB-HXUWFJFHSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000612599652 469505964 /nfs/dbraw/zinc/50/59/64/469505964.db2.gz CNGUDFJDWKCLGU-OAHLLOKOSA-N 2 2 346.862 2.110 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000612599652 469505969 /nfs/dbraw/zinc/50/59/69/469505969.db2.gz CNGUDFJDWKCLGU-OAHLLOKOSA-N 2 2 346.862 2.110 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000761887693 577691032 /nfs/dbraw/zinc/69/10/32/577691032.db2.gz RVKOVLUZNGCOOZ-UHFFFAOYSA-N 2 2 327.472 2.065 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000761887693 577691033 /nfs/dbraw/zinc/69/10/33/577691033.db2.gz RVKOVLUZNGCOOZ-UHFFFAOYSA-N 2 2 327.472 2.065 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)CC1 ZINC000748812224 577967129 /nfs/dbraw/zinc/96/71/29/577967129.db2.gz ANVYZEXNEPITGY-SFHVURJKSA-N 2 2 327.472 2.074 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)CC1 ZINC000748812224 577967130 /nfs/dbraw/zinc/96/71/30/577967130.db2.gz ANVYZEXNEPITGY-SFHVURJKSA-N 2 2 327.472 2.074 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000735060050 578131558 /nfs/dbraw/zinc/13/15/58/578131558.db2.gz GDYQBBUPNVKSEX-INIZCTEOSA-N 2 2 349.862 2.317 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000735060050 578131559 /nfs/dbraw/zinc/13/15/59/578131559.db2.gz GDYQBBUPNVKSEX-INIZCTEOSA-N 2 2 349.862 2.317 20 30 EEEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001020388612 674589138 /nfs/dbraw/zinc/58/91/38/674589138.db2.gz BXIUNCWCKUBPCF-HAQNSBGRSA-N 2 2 349.232 2.093 20 30 EEEDLP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)c1c[nH+]c[nH]1 ZINC000970483696 675927186 /nfs/dbraw/zinc/92/71/86/675927186.db2.gz AFAWFFMOLVPXHH-GFCCVEGCSA-N 2 2 343.456 2.011 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000970326078 675789957 /nfs/dbraw/zinc/78/99/57/675789957.db2.gz NEWSBLZNOVDCQM-VQIMIIECSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000970326078 675789960 /nfs/dbraw/zinc/78/99/60/675789960.db2.gz NEWSBLZNOVDCQM-VQIMIIECSA-N 2 2 349.519 2.033 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451106 679316282 /nfs/dbraw/zinc/31/62/82/679316282.db2.gz FVYYFVNUAYYJLR-CVEARBPZSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451106 679316284 /nfs/dbraw/zinc/31/62/84/679316284.db2.gz FVYYFVNUAYYJLR-CVEARBPZSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451106 679316286 /nfs/dbraw/zinc/31/62/86/679316286.db2.gz FVYYFVNUAYYJLR-CVEARBPZSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451106 679316289 /nfs/dbraw/zinc/31/62/89/679316289.db2.gz FVYYFVNUAYYJLR-CVEARBPZSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023553995 679374774 /nfs/dbraw/zinc/37/47/74/679374774.db2.gz DUABFHQASCBPFE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023553995 679374776 /nfs/dbraw/zinc/37/47/76/679374776.db2.gz DUABFHQASCBPFE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001023553995 679374777 /nfs/dbraw/zinc/37/47/77/679374777.db2.gz DUABFHQASCBPFE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001023553995 679374778 /nfs/dbraw/zinc/37/47/78/679374778.db2.gz DUABFHQASCBPFE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707271 679491191 /nfs/dbraw/zinc/49/11/91/679491191.db2.gz NSDGSTNODGJZJZ-AWEZNQCLSA-N 2 2 336.867 2.342 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707271 679491192 /nfs/dbraw/zinc/49/11/92/679491192.db2.gz NSDGSTNODGJZJZ-AWEZNQCLSA-N 2 2 336.867 2.342 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516780 680022446 /nfs/dbraw/zinc/02/24/46/680022446.db2.gz NPKKWZDGFSXFPS-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516780 680022452 /nfs/dbraw/zinc/02/24/52/680022452.db2.gz NPKKWZDGFSXFPS-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516780 680022458 /nfs/dbraw/zinc/02/24/58/680022458.db2.gz NPKKWZDGFSXFPS-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516780 680022459 /nfs/dbraw/zinc/02/24/59/680022459.db2.gz NPKKWZDGFSXFPS-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924881324 681685922 /nfs/dbraw/zinc/68/59/22/681685922.db2.gz XBURVYMVLNXQST-INIZCTEOSA-N 2 2 343.475 2.038 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001026401045 684567998 /nfs/dbraw/zinc/56/79/98/684567998.db2.gz UBWQIKXXIGGGRZ-BFHYXJOUSA-N 2 2 336.867 2.266 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccsc2)CC1(C)C ZINC000974683049 685231065 /nfs/dbraw/zinc/23/10/65/685231065.db2.gz BFWDINFTTAETHD-IRXDYDNUSA-N 2 2 345.512 2.172 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccsc2)CC1(C)C ZINC000974683049 685231070 /nfs/dbraw/zinc/23/10/70/685231070.db2.gz BFWDINFTTAETHD-IRXDYDNUSA-N 2 2 345.512 2.172 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccsc2)CC1(C)C ZINC000974683049 685231074 /nfs/dbraw/zinc/23/10/74/685231074.db2.gz BFWDINFTTAETHD-IRXDYDNUSA-N 2 2 345.512 2.172 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccsc2)CC1(C)C ZINC000974683049 685231077 /nfs/dbraw/zinc/23/10/77/685231077.db2.gz BFWDINFTTAETHD-IRXDYDNUSA-N 2 2 345.512 2.172 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001029565796 686129586 /nfs/dbraw/zinc/12/95/86/686129586.db2.gz VUNDSVPXYXXXAR-HDICACEKSA-N 2 2 349.438 2.008 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001029565796 686129590 /nfs/dbraw/zinc/12/95/90/686129590.db2.gz VUNDSVPXYXXXAR-HDICACEKSA-N 2 2 349.438 2.008 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880046 1192633541 /nfs/dbraw/zinc/63/35/41/1192633541.db2.gz GXYVHQXMDWEWFS-NXOAAHMSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880046 1192633544 /nfs/dbraw/zinc/63/35/44/1192633544.db2.gz GXYVHQXMDWEWFS-NXOAAHMSSA-N 2 2 328.460 2.087 20 30 EEEDLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001266352455 1176375637 /nfs/dbraw/zinc/37/56/37/1176375637.db2.gz BIUFLJJZLJEVKS-ZWKOTPCHSA-N 2 2 347.890 2.222 20 30 EEEDLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001266352455 1176375647 /nfs/dbraw/zinc/37/56/47/1176375647.db2.gz BIUFLJJZLJEVKS-ZWKOTPCHSA-N 2 2 347.890 2.222 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582593 1187524893 /nfs/dbraw/zinc/52/48/93/1187524893.db2.gz YBHMEAJQQMRNQC-RVKKMQEKSA-N 2 2 345.491 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582593 1187524896 /nfs/dbraw/zinc/52/48/96/1187524896.db2.gz YBHMEAJQQMRNQC-RVKKMQEKSA-N 2 2 345.491 2.335 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1C ZINC001088582593 1187524899 /nfs/dbraw/zinc/52/48/99/1187524899.db2.gz YBHMEAJQQMRNQC-RVKKMQEKSA-N 2 2 345.491 2.335 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H]1C ZINC001088582593 1187524903 /nfs/dbraw/zinc/52/49/03/1187524903.db2.gz YBHMEAJQQMRNQC-RVKKMQEKSA-N 2 2 345.491 2.335 20 30 EEEDLP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107365 1194671239 /nfs/dbraw/zinc/67/12/39/1194671239.db2.gz AWWOULAZLGNVNG-IBGZPJMESA-N 2 2 348.491 2.227 20 30 EEEDLP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107365 1194671242 /nfs/dbraw/zinc/67/12/42/1194671242.db2.gz AWWOULAZLGNVNG-IBGZPJMESA-N 2 2 348.491 2.227 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034138111 1195810820 /nfs/dbraw/zinc/81/08/20/1195810820.db2.gz NSXFTRPLUXOMAT-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001034138111 1195810823 /nfs/dbraw/zinc/81/08/23/1195810823.db2.gz NSXFTRPLUXOMAT-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001034138111 1195810825 /nfs/dbraw/zinc/81/08/25/1195810825.db2.gz NSXFTRPLUXOMAT-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014780617 1224340258 /nfs/dbraw/zinc/34/02/58/1224340258.db2.gz UCJDBQURSDGNHJ-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 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C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961152706 1217059663 /nfs/dbraw/zinc/05/96/63/1217059663.db2.gz DEGPJTRSAPXJNX-SJORKVTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961431074 1217187298 /nfs/dbraw/zinc/18/72/98/1217187298.db2.gz ICRKTVIYOJSGTB-KRWDZBQOSA-N 2 2 330.476 2.397 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961431074 1217187299 /nfs/dbraw/zinc/18/72/99/1217187299.db2.gz ICRKTVIYOJSGTB-KRWDZBQOSA-N 2 2 330.476 2.397 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016009139 1225953552 /nfs/dbraw/zinc/95/35/52/1225953552.db2.gz PITCZIVJAIJPEC-SFHVURJKSA-N 2 2 348.450 2.003 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016009139 1225953556 /nfs/dbraw/zinc/95/35/56/1225953556.db2.gz PITCZIVJAIJPEC-SFHVURJKSA-N 2 2 348.450 2.003 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 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AMXAVCGHLBDRTO-OKZBNKHCSA-N 2 2 328.460 2.028 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001088336522 783553228 /nfs/dbraw/zinc/55/32/28/783553228.db2.gz GMAVBLBMNLVVFK-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799079 784464785 /nfs/dbraw/zinc/46/47/85/784464785.db2.gz RFLCWCSMUIPETC-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C=CCc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000817909414 785061661 /nfs/dbraw/zinc/06/16/61/785061661.db2.gz QKUSSKQBDWQZTJ-OALUTQOASA-N 2 2 346.471 2.289 20 30 EEEDLP C=CCCC[NH+]1CC(OC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001105704206 785778876 /nfs/dbraw/zinc/77/88/76/785778876.db2.gz SRQLYBOOOSDZFT-UHFFFAOYSA-N 2 2 346.475 2.000 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107563611 787628165 /nfs/dbraw/zinc/62/81/65/787628165.db2.gz JSLXIXKKPAKFJJ-YQVWRLOYSA-N 2 2 328.460 2.218 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107563611 787628168 /nfs/dbraw/zinc/62/81/68/787628168.db2.gz JSLXIXKKPAKFJJ-YQVWRLOYSA-N 2 2 328.460 2.218 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651715 787991200 /nfs/dbraw/zinc/99/12/00/787991200.db2.gz ADUBCCRFQMLLIN-IEBWSBKVSA-N 2 2 328.460 2.047 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651715 787991207 /nfs/dbraw/zinc/99/12/07/787991207.db2.gz ADUBCCRFQMLLIN-IEBWSBKVSA-N 2 2 328.460 2.047 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997187514 789386133 /nfs/dbraw/zinc/38/61/33/789386133.db2.gz PUNMZRCWPOWGOD-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800824 806011676 /nfs/dbraw/zinc/01/16/76/806011676.db2.gz UEBFJJQWRTWZAR-IKGGRYGDSA-N 2 2 328.460 2.141 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 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RUUOEQPVUOHELK-OAGGEKHMSA-N 2 2 348.878 2.436 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958251 798578065 /nfs/dbraw/zinc/57/80/65/798578065.db2.gz RUUOEQPVUOHELK-OAGGEKHMSA-N 2 2 348.878 2.436 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001085037315 798628464 /nfs/dbraw/zinc/62/84/64/798628464.db2.gz YJYSRLGVXYYRCJ-KONPQCLYSA-N 2 2 328.460 2.023 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001085037315 798628468 /nfs/dbraw/zinc/62/84/68/798628468.db2.gz YJYSRLGVXYYRCJ-KONPQCLYSA-N 2 2 328.460 2.023 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032837142 799440411 /nfs/dbraw/zinc/44/04/11/799440411.db2.gz MYASNDRBOFMJQM-IPELMVKDSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032837142 799440417 /nfs/dbraw/zinc/44/04/17/799440417.db2.gz MYASNDRBOFMJQM-IPELMVKDSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032837142 799440422 /nfs/dbraw/zinc/44/04/22/799440422.db2.gz MYASNDRBOFMJQM-IPELMVKDSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032837142 799440426 /nfs/dbraw/zinc/44/04/26/799440426.db2.gz MYASNDRBOFMJQM-IPELMVKDSA-N 2 2 343.446 2.175 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179777507 800082872 /nfs/dbraw/zinc/08/28/72/800082872.db2.gz YIDDBTVXTFYROF-INIZCTEOSA-N 2 2 336.480 2.057 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179777507 800082876 /nfs/dbraw/zinc/08/28/76/800082876.db2.gz YIDDBTVXTFYROF-INIZCTEOSA-N 2 2 336.480 2.057 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001085204664 800238804 /nfs/dbraw/zinc/23/88/04/800238804.db2.gz CJCDMZHCBDHUEL-IIDMSEBBSA-N 2 2 345.491 2.383 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001085204664 800238808 /nfs/dbraw/zinc/23/88/08/800238808.db2.gz CJCDMZHCBDHUEL-IIDMSEBBSA-N 2 2 345.491 2.383 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001085374964 800424771 /nfs/dbraw/zinc/42/47/71/800424771.db2.gz RZRGBWUBDLGETL-IAGOWNOFSA-N 2 2 337.427 2.041 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473069 802163802 /nfs/dbraw/zinc/16/38/02/802163802.db2.gz KBIDXJYKKFEIQW-ZWKOTPCHSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473069 802163806 /nfs/dbraw/zinc/16/38/06/802163806.db2.gz KBIDXJYKKFEIQW-ZWKOTPCHSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497786 802229266 /nfs/dbraw/zinc/22/92/66/802229266.db2.gz KXDRDHAZFDNZDE-KRWDZBQOSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497786 802229273 /nfs/dbraw/zinc/22/92/73/802229273.db2.gz KXDRDHAZFDNZDE-KRWDZBQOSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182202 802992595 /nfs/dbraw/zinc/99/25/95/802992595.db2.gz MYKZBGHVSJEAHW-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182202 802992597 /nfs/dbraw/zinc/99/25/97/802992597.db2.gz MYKZBGHVSJEAHW-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422501 803537376 /nfs/dbraw/zinc/53/73/76/803537376.db2.gz VAPGUIFDLTVUHR-AZUAARDMSA-N 2 2 345.487 2.073 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422501 803537381 /nfs/dbraw/zinc/53/73/81/803537381.db2.gz VAPGUIFDLTVUHR-AZUAARDMSA-N 2 2 345.487 2.073 20 30 EEEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001108687206 804353955 /nfs/dbraw/zinc/35/39/55/804353955.db2.gz AWERKBKBDCPNRZ-SZMVWBNQSA-N 2 2 336.439 2.249 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CC#N)c1 ZINC000455919922 244110087 /nfs/dbraw/zinc/11/00/87/244110087.db2.gz MVWVAYGHQLXTAK-UHFFFAOYSA-N 2 2 343.475 2.242 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CC#N)c1 ZINC000455919922 244110093 /nfs/dbraw/zinc/11/00/93/244110093.db2.gz MVWVAYGHQLXTAK-UHFFFAOYSA-N 2 2 343.475 2.242 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346514487 161378760 /nfs/dbraw/zinc/37/87/60/161378760.db2.gz VEELVFMALQKKHX-KBXCAEBGSA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346514487 161378761 /nfs/dbraw/zinc/37/87/61/161378761.db2.gz VEELVFMALQKKHX-KBXCAEBGSA-N 2 2 336.395 2.434 20 30 EEEDLP Cc1cc(NC(=O)CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)on1 ZINC000328604533 465066817 /nfs/dbraw/zinc/06/68/17/465066817.db2.gz IRAXAZPCWVDSGM-UHFFFAOYSA-N 2 2 349.479 2.061 20 30 EEEDLP C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000337177220 465230014 /nfs/dbraw/zinc/23/00/14/465230014.db2.gz JHMOVFIWZGARKD-MOPGFXCFSA-N 2 2 348.535 2.045 20 30 EEEDLP C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000337177220 465230019 /nfs/dbraw/zinc/23/00/19/465230019.db2.gz JHMOVFIWZGARKD-MOPGFXCFSA-N 2 2 348.535 2.045 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000277385925 463914308 /nfs/dbraw/zinc/91/43/08/463914308.db2.gz IQLUPXZTGDQVDT-KRWDZBQOSA-N 2 2 345.491 2.280 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289576254 464086090 /nfs/dbraw/zinc/08/60/90/464086090.db2.gz AEWJLESECIUTGG-UHFFFAOYSA-N 2 2 347.438 2.187 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289576254 464086099 /nfs/dbraw/zinc/08/60/99/464086099.db2.gz AEWJLESECIUTGG-UHFFFAOYSA-N 2 2 347.438 2.187 20 30 EEEDLP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264102542 464284193 /nfs/dbraw/zinc/28/41/93/464284193.db2.gz YVPVGULTBNRNBC-ZDUSSCGKSA-N 2 2 332.473 2.453 20 30 EEEDLP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000264102542 464284198 /nfs/dbraw/zinc/28/41/98/464284198.db2.gz YVPVGULTBNRNBC-ZDUSSCGKSA-N 2 2 332.473 2.453 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000298644648 465458855 /nfs/dbraw/zinc/45/88/55/465458855.db2.gz ANKULBPDNSTNKV-DLBZAZTESA-N 2 2 333.480 2.269 20 30 EEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990868 464438738 /nfs/dbraw/zinc/43/87/38/464438738.db2.gz ZDWKXVDTKHYXOS-KBXCAEBGSA-N 2 2 346.450 2.291 20 30 EEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990868 464438743 /nfs/dbraw/zinc/43/87/43/464438743.db2.gz ZDWKXVDTKHYXOS-KBXCAEBGSA-N 2 2 346.450 2.291 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247343009 464669633 /nfs/dbraw/zinc/66/96/33/464669633.db2.gz GSYCFOKTUMYPRZ-BRWVUGGUSA-N 2 2 343.475 2.497 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247343009 464669639 /nfs/dbraw/zinc/66/96/39/464669639.db2.gz GSYCFOKTUMYPRZ-BRWVUGGUSA-N 2 2 343.475 2.497 20 30 EEEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000329580204 465377388 /nfs/dbraw/zinc/37/73/88/465377388.db2.gz WUIXIZHMSXMHFW-SJLPKXTDSA-N 2 2 339.443 2.312 20 30 EEEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329935875 465479290 /nfs/dbraw/zinc/47/92/90/465479290.db2.gz CSWLXETWBPCBHU-OAHLLOKOSA-N 2 2 331.464 2.051 20 30 EEEDLP CN(C)c1ccc(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c[nH+]1 ZINC000331324022 466032859 /nfs/dbraw/zinc/03/28/59/466032859.db2.gz NJPZOWPQPCLBFN-OAHLLOKOSA-N 2 2 333.480 2.272 20 30 EEEDLP CN(C)c1ccc(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c[nH+]1 ZINC000331324022 466032867 /nfs/dbraw/zinc/03/28/67/466032867.db2.gz NJPZOWPQPCLBFN-OAHLLOKOSA-N 2 2 333.480 2.272 20 30 EEEDLP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000597220148 468484564 /nfs/dbraw/zinc/48/45/64/468484564.db2.gz FKOWBBNQUOTTKA-MAEOIBBWSA-N 2 2 327.428 2.064 20 30 EEEDLP N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000369037600 466711416 /nfs/dbraw/zinc/71/14/16/466711416.db2.gz ZASWGOXVOPHLBD-IEBWSBKVSA-N 2 2 329.444 2.322 20 30 EEEDLP N#CC1(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000369196075 466718386 /nfs/dbraw/zinc/71/83/86/466718386.db2.gz WUODTXPRFCPBLS-GOSISDBHSA-N 2 2 335.492 2.131 20 30 EEEDLP N#CC1(CCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000369196075 466718387 /nfs/dbraw/zinc/71/83/87/466718387.db2.gz WUODTXPRFCPBLS-GOSISDBHSA-N 2 2 335.492 2.131 20 30 EEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411178071 466777331 /nfs/dbraw/zinc/77/73/31/466777331.db2.gz KKIGNQOLLXHBSV-KRWDZBQOSA-N 2 2 345.487 2.236 20 30 EEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411178071 466777333 /nfs/dbraw/zinc/77/73/33/466777333.db2.gz KKIGNQOLLXHBSV-KRWDZBQOSA-N 2 2 345.487 2.236 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444217118 467582150 /nfs/dbraw/zinc/58/21/50/467582150.db2.gz VZMGBEMAGXIXIY-ZIFCJYIRSA-N 2 2 334.508 2.237 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444217118 467582151 /nfs/dbraw/zinc/58/21/51/467582151.db2.gz VZMGBEMAGXIXIY-ZIFCJYIRSA-N 2 2 334.508 2.237 20 30 EEEDLP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449581875 467665724 /nfs/dbraw/zinc/66/57/24/467665724.db2.gz CJKKKMDPYTUNNA-INIZCTEOSA-N 2 2 337.471 2.477 20 30 EEEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000594441037 468588855 /nfs/dbraw/zinc/58/88/55/468588855.db2.gz LKNFDKWZJQMIOL-MRXNPFEDSA-N 2 2 329.448 2.099 20 30 EEEDLP N#CCCn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(-c2ccncc2)n1 ZINC000582762720 468589456 /nfs/dbraw/zinc/58/94/56/468589456.db2.gz JEIXUXKKIRJDHW-KRWDZBQOSA-N 2 2 347.426 2.160 20 30 EEEDLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)C[C@H](O)CC(C)(C)C#N)CCC[NH+]1C ZINC000598616271 468934817 /nfs/dbraw/zinc/93/48/17/468934817.db2.gz LLNCNMAMKCZTEZ-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)CCC[NH+]1C ZINC000598616271 468934820 /nfs/dbraw/zinc/93/48/20/468934820.db2.gz LLNCNMAMKCZTEZ-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1nccc1[C@H]1[C@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)CCC[N@@H+]1C ZINC000598616271 468934824 /nfs/dbraw/zinc/93/48/24/468934824.db2.gz LLNCNMAMKCZTEZ-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1nccc1[C@H]1[C@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)CCC[N@H+]1C ZINC000598616271 468934829 /nfs/dbraw/zinc/93/48/29/468934829.db2.gz LLNCNMAMKCZTEZ-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000602147109 469215077 /nfs/dbraw/zinc/21/50/77/469215077.db2.gz YWTCFNOXZXFXBL-SFHVURJKSA-N 2 2 340.471 2.145 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000602147109 469215084 /nfs/dbraw/zinc/21/50/84/469215084.db2.gz YWTCFNOXZXFXBL-SFHVURJKSA-N 2 2 340.471 2.145 20 30 EEEDLP C=CCOc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1Cl ZINC000629652170 469598960 /nfs/dbraw/zinc/59/89/60/469598960.db2.gz BVTOIAHPZVIKJJ-UHFFFAOYSA-N 2 2 334.807 2.149 20 30 EEEDLP CCC(CC)C[N@H+](CCC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093101022 528750394 /nfs/dbraw/zinc/75/03/94/528750394.db2.gz FOBQMMTUVZDTHB-UHFFFAOYSA-N 2 2 344.507 2.380 20 30 EEEDLP CCC(CC)C[N@@H+](CCC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093101022 528750396 /nfs/dbraw/zinc/75/03/96/528750396.db2.gz FOBQMMTUVZDTHB-UHFFFAOYSA-N 2 2 344.507 2.380 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001021087611 675714831 /nfs/dbraw/zinc/71/48/31/675714831.db2.gz CQPPYFQGLZGRBZ-HDJSIYSDSA-N 2 2 339.892 2.096 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001021087611 675714834 /nfs/dbraw/zinc/71/48/34/675714834.db2.gz CQPPYFQGLZGRBZ-HDJSIYSDSA-N 2 2 339.892 2.096 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001023380652 679280514 /nfs/dbraw/zinc/28/05/14/679280514.db2.gz DVKKSIAOIZAQEK-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001023380652 679280516 /nfs/dbraw/zinc/28/05/16/679280516.db2.gz DVKKSIAOIZAQEK-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380652 679280518 /nfs/dbraw/zinc/28/05/18/679280518.db2.gz DVKKSIAOIZAQEK-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380652 679280520 /nfs/dbraw/zinc/28/05/20/679280520.db2.gz DVKKSIAOIZAQEK-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514727 679350005 /nfs/dbraw/zinc/35/00/05/679350005.db2.gz 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C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CCCC)O2 ZINC001053687789 1246650542 /nfs/dbraw/zinc/65/05/42/1246650542.db2.gz YYMKJDGZYMMZGC-ZWKOTPCHSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CCCC)O2 ZINC001053687789 1246650550 /nfs/dbraw/zinc/65/05/50/1246650550.db2.gz YYMKJDGZYMMZGC-ZWKOTPCHSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001054045163 1247220653 /nfs/dbraw/zinc/22/06/53/1247220653.db2.gz MCXOUOXCWOAYDN-IBGZPJMESA-N 2 2 339.483 2.344 20 30 EEEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001054045163 1247220656 /nfs/dbraw/zinc/22/06/56/1247220656.db2.gz MCXOUOXCWOAYDN-IBGZPJMESA-N 2 2 339.483 2.344 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001054155549 1247551689 /nfs/dbraw/zinc/55/16/89/1247551689.db2.gz UHVZNOYDKPQRBS-JXFKEZNVSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001054155549 1247551692 /nfs/dbraw/zinc/55/16/92/1247551692.db2.gz UHVZNOYDKPQRBS-JXFKEZNVSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001054155549 1247551697 /nfs/dbraw/zinc/55/16/97/1247551697.db2.gz UHVZNOYDKPQRBS-JXFKEZNVSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001054155549 1247551703 /nfs/dbraw/zinc/55/17/03/1247551703.db2.gz UHVZNOYDKPQRBS-JXFKEZNVSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227541 1247778590 /nfs/dbraw/zinc/77/85/90/1247778590.db2.gz IWNTUBNTXGHWJB-QGZVFWFLSA-N 2 2 336.867 2.030 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227541 1247778602 /nfs/dbraw/zinc/77/86/02/1247778602.db2.gz IWNTUBNTXGHWJB-QGZVFWFLSA-N 2 2 336.867 2.030 20 30 EEEDLP C=C(C)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1OC ZINC001198828444 1285360040 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2 348.491 2.224 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001228053957 1302077577 /nfs/dbraw/zinc/07/75/77/1302077577.db2.gz MJKIKJSEMBMWPR-HZPDHXFCSA-N 2 2 330.476 2.381 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629798 1303336911 /nfs/dbraw/zinc/33/69/11/1303336911.db2.gz PYQMYSDZZXXVND-LJQANCHMSA-N 2 2 342.487 2.390 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629798 1303336919 /nfs/dbraw/zinc/33/69/19/1303336919.db2.gz PYQMYSDZZXXVND-LJQANCHMSA-N 2 2 342.487 2.390 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(C)nc(C)c2)CC1 ZINC001232002313 1303969462 /nfs/dbraw/zinc/96/94/62/1303969462.db2.gz BOKJJLLSXWGXRI-UHFFFAOYSA-N 2 2 328.504 2.490 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC[C@@H]3CCSC3)cc2F)CC1 ZINC001117683834 1306144389 /nfs/dbraw/zinc/14/43/89/1306144389.db2.gz IXSQKMZRJAMGAI-HNNXBMFYSA-N 2 2 336.480 2.254 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001138581059 1314632769 /nfs/dbraw/zinc/63/27/69/1314632769.db2.gz TUNSGEBBZDFMAD-UHFFFAOYSA-N 2 2 345.535 2.499 20 30 EEEDLP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153788216 1316883540 /nfs/dbraw/zinc/88/35/40/1316883540.db2.gz WTHSXLODQRXHTE-OAHLLOKOSA-N 2 2 339.443 2.241 20 30 EEEDLP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153788216 1316883546 /nfs/dbraw/zinc/88/35/46/1316883546.db2.gz WTHSXLODQRXHTE-OAHLLOKOSA-N 2 2 339.443 2.241 20 30 EEEDLP CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153788216 1316883551 /nfs/dbraw/zinc/88/35/51/1316883551.db2.gz WTHSXLODQRXHTE-OAHLLOKOSA-N 2 2 339.443 2.241 20 30 EEEDLP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153788216 1316883554 /nfs/dbraw/zinc/88/35/54/1316883554.db2.gz WTHSXLODQRXHTE-OAHLLOKOSA-N 2 2 339.443 2.241 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156509738 1318047578 /nfs/dbraw/zinc/04/75/78/1318047578.db2.gz BJIDFRZQGSFOPV-CQSZACIVSA-N 2 2 348.329 2.454 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156509738 1318047585 /nfs/dbraw/zinc/04/75/85/1318047585.db2.gz BJIDFRZQGSFOPV-CQSZACIVSA-N 2 2 348.329 2.454 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156509738 1318047592 /nfs/dbraw/zinc/04/75/92/1318047592.db2.gz BJIDFRZQGSFOPV-CQSZACIVSA-N 2 2 348.329 2.454 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156509738 1318047600 /nfs/dbraw/zinc/04/76/00/1318047600.db2.gz BJIDFRZQGSFOPV-CQSZACIVSA-N 2 2 348.329 2.454 20 30 EEEDLP N#Cc1ccccc1OC1C[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256698301 1318838975 /nfs/dbraw/zinc/83/89/75/1318838975.db2.gz ADFWPYCQELNXAO-UHFFFAOYSA-N 2 2 341.455 2.265 20 30 EEEDLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3ccc(C#N)cc32)O1 ZINC001159240384 1319701444 /nfs/dbraw/zinc/70/14/44/1319701444.db2.gz PIJXHTMYJXZUOF-NUJGCVRESA-N 2 2 326.400 2.243 20 30 EEEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC001160432191 1320161811 /nfs/dbraw/zinc/16/18/11/1320161811.db2.gz OBJOQXZISHNZFX-OAHLLOKOSA-N 2 2 341.377 2.426 20 30 EEEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001162982615 1321004618 /nfs/dbraw/zinc/00/46/18/1321004618.db2.gz KZJYNVVZKWEQQC-UHFFFAOYSA-N 2 2 340.471 2.200 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001203806940 1321965279 /nfs/dbraw/zinc/96/52/79/1321965279.db2.gz MQDXDASQHKVMAN-VQIMIIECSA-N 2 2 349.519 2.033 20 30 EEEDLP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001660850996 1354550667 /nfs/dbraw/zinc/55/06/67/1354550667.db2.gz GFFGEJNVAVUYTI-IBGZPJMESA-N 2 2 345.462 2.100 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001660850996 1354550674 /nfs/dbraw/zinc/55/06/74/1354550674.db2.gz GFFGEJNVAVUYTI-IBGZPJMESA-N 2 2 345.462 2.100 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001660850996 1354550678 /nfs/dbraw/zinc/55/06/78/1354550678.db2.gz GFFGEJNVAVUYTI-IBGZPJMESA-N 2 2 345.462 2.100 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001660850996 1354550681 /nfs/dbraw/zinc/55/06/81/1354550681.db2.gz GFFGEJNVAVUYTI-IBGZPJMESA-N 2 2 345.462 2.100 20 30 EEEDLP CCc1ccc(C#CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000815594809 1368044479 /nfs/dbraw/zinc/04/44/79/1368044479.db2.gz YJLNLEIXPSBSTL-UHFFFAOYSA-N 2 2 341.499 2.085 20 30 EEEDLP CCc1ccc(C#CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000815594809 1368044485 /nfs/dbraw/zinc/04/44/85/1368044485.db2.gz YJLNLEIXPSBSTL-UHFFFAOYSA-N 2 2 341.499 2.085 20 30 EEEDLP C[N@H+](CC(=O)NCC[NH+](Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001391168183 1389091753 /nfs/dbraw/zinc/09/17/53/1389091753.db2.gz LSMPDCLFWDURNQ-UHFFFAOYSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@@H+](CC(=O)NCC[NH+](Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001391168183 1389091757 /nfs/dbraw/zinc/09/17/57/1389091757.db2.gz LSMPDCLFWDURNQ-UHFFFAOYSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](CC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001391168183 1389091761 /nfs/dbraw/zinc/09/17/61/1389091761.db2.gz LSMPDCLFWDURNQ-UHFFFAOYSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](CC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CCC1 ZINC001391168183 1389091766 /nfs/dbraw/zinc/09/17/66/1389091766.db2.gz LSMPDCLFWDURNQ-UHFFFAOYSA-N 2 2 340.471 2.123 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001752820962 1406443868 /nfs/dbraw/zinc/44/38/68/1406443868.db2.gz IQLVMVNZNDDKAY-MSOLQXFVSA-N 2 2 330.476 2.464 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001752820962 1406443871 /nfs/dbraw/zinc/44/38/71/1406443871.db2.gz IQLVMVNZNDDKAY-MSOLQXFVSA-N 2 2 330.476 2.464 20 30 EEEDLP C#CCC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCCCC1 ZINC001753749098 1406771015 /nfs/dbraw/zinc/77/10/15/1406771015.db2.gz CHJAFDKRISPVSZ-GOSISDBHSA-N 2 2 330.476 2.031 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087829408 782324874 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30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575544 784023698 /nfs/dbraw/zinc/02/36/98/784023698.db2.gz ICATZEPLBTWQCP-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190581 786106274 /nfs/dbraw/zinc/10/62/74/786106274.db2.gz LSPUAVVJEUTYLO-ZWKOTPCHSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190581 786106279 /nfs/dbraw/zinc/10/62/79/786106279.db2.gz LSPUAVVJEUTYLO-ZWKOTPCHSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088969076 791779158 /nfs/dbraw/zinc/77/91/58/791779158.db2.gz GBYKHHIWAZRTRX-PBHICJAKSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088969076 791779161 /nfs/dbraw/zinc/77/91/61/791779161.db2.gz GBYKHHIWAZRTRX-PBHICJAKSA-N 2 2 339.911 2.440 20 30 EEEDLP 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ZINC001086945566 793042697 /nfs/dbraw/zinc/04/26/97/793042697.db2.gz DWCSMUUDCZKERA-CQSZACIVSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304520 793781929 /nfs/dbraw/zinc/78/19/29/793781929.db2.gz MAHMXTNUASCQHJ-GGPKGHCWSA-N 2 2 342.487 2.041 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304520 793781931 /nfs/dbraw/zinc/78/19/31/793781931.db2.gz MAHMXTNUASCQHJ-GGPKGHCWSA-N 2 2 342.487 2.041 20 30 EEEDLP N#Cc1ccccc1C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992532409 794530898 /nfs/dbraw/zinc/53/08/98/794530898.db2.gz LYLBHIXFAJLQSW-AZUAARDMSA-N 2 2 349.438 2.068 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992532409 794530905 /nfs/dbraw/zinc/53/09/05/794530905.db2.gz LYLBHIXFAJLQSW-AZUAARDMSA-N 2 2 349.438 2.068 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001079879206 795312620 /nfs/dbraw/zinc/31/26/20/795312620.db2.gz GQCDGSNLVJSEPM-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001079879206 795312625 /nfs/dbraw/zinc/31/26/25/795312625.db2.gz GQCDGSNLVJSEPM-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001079879206 795312633 /nfs/dbraw/zinc/31/26/33/795312633.db2.gz GQCDGSNLVJSEPM-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001079879206 795312641 /nfs/dbraw/zinc/31/26/41/795312641.db2.gz GQCDGSNLVJSEPM-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078766511 796956603 /nfs/dbraw/zinc/95/66/03/796956603.db2.gz FFMDVTVPKWLDIC-MSOLQXFVSA-N 2 2 334.423 2.136 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C12CCC2 ZINC001078780269 797001099 /nfs/dbraw/zinc/00/10/99/797001099.db2.gz JPRQKFDGTUGSLW-DLBZAZTESA-N 2 2 337.427 2.084 20 30 EEEDLP C#CCC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001001692786 797119397 /nfs/dbraw/zinc/11/93/97/797119397.db2.gz LREOCTIEUWUNGC-UHFFFAOYSA-N 2 2 336.439 2.337 20 30 EEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967106 797173621 /nfs/dbraw/zinc/17/36/21/797173621.db2.gz GJIPMVOFEJHOBH-JYJNAYRXSA-N 2 2 336.480 2.352 20 30 EEEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967106 797173627 /nfs/dbraw/zinc/17/36/27/797173627.db2.gz GJIPMVOFEJHOBH-JYJNAYRXSA-N 2 2 336.480 2.352 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032827222 798455245 /nfs/dbraw/zinc/45/52/45/798455245.db2.gz MYASNDRBOFMJQM-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032827222 798455247 /nfs/dbraw/zinc/45/52/47/798455247.db2.gz MYASNDRBOFMJQM-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032827222 798455248 /nfs/dbraw/zinc/45/52/48/798455248.db2.gz MYASNDRBOFMJQM-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001032827222 798455249 /nfs/dbraw/zinc/45/52/49/798455249.db2.gz MYASNDRBOFMJQM-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975524 798587580 /nfs/dbraw/zinc/58/75/80/798587580.db2.gz ILFOWURHOCIWIM-AOIWGVFYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975524 798587582 /nfs/dbraw/zinc/58/75/82/798587582.db2.gz ILFOWURHOCIWIM-AOIWGVFYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001179912187 800184875 /nfs/dbraw/zinc/18/48/75/800184875.db2.gz CVTYVNALRMWDSI-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)cc1 ZINC001180470771 800444873 /nfs/dbraw/zinc/44/48/73/800444873.db2.gz UZAQBJDQQBRPAJ-UHFFFAOYSA-N 2 2 339.443 2.221 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001086088907 802136733 /nfs/dbraw/zinc/13/67/33/802136733.db2.gz XMOBAQVQQVUMRQ-ZJPYXAASSA-N 2 2 342.487 2.214 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001033160329 802688109 /nfs/dbraw/zinc/68/81/09/802688109.db2.gz FABRMADFEOLCMQ-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001033160329 802688115 /nfs/dbraw/zinc/68/81/15/802688115.db2.gz FABRMADFEOLCMQ-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001033160329 802688120 /nfs/dbraw/zinc/68/81/20/802688120.db2.gz FABRMADFEOLCMQ-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001033160329 802688125 /nfs/dbraw/zinc/68/81/25/802688125.db2.gz FABRMADFEOLCMQ-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472716 805524811 /nfs/dbraw/zinc/52/48/11/805524811.db2.gz ARELNGWVMFUKBW-KMFMINBZSA-N 2 2 332.448 2.038 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472716 805524820 /nfs/dbraw/zinc/52/48/20/805524820.db2.gz ARELNGWVMFUKBW-KMFMINBZSA-N 2 2 332.448 2.038 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086593297 809039227 /nfs/dbraw/zinc/03/92/27/809039227.db2.gz ODTLRVGJCCFBAW-FTEYMNFISA-N 2 2 348.450 2.121 20 30 EEEDLP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086593297 809039235 /nfs/dbraw/zinc/03/92/35/809039235.db2.gz ODTLRVGJCCFBAW-FTEYMNFISA-N 2 2 348.450 2.121 20 30 EEEDLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCC#Cc1ccccc1 ZINC001170424201 810107077 /nfs/dbraw/zinc/10/70/77/810107077.db2.gz UVSUHZLLEQXUFW-UHFFFAOYSA-N 2 2 335.455 2.424 20 30 EEEDLP N#Cc1cccc(C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCC2)c1 ZINC001495195577 1100874330 /nfs/dbraw/zinc/87/43/30/1100874330.db2.gz SQVLSBCQMVMTGX-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000329950485 539785809 /nfs/dbraw/zinc/78/58/09/539785809.db2.gz MJEWAVILWQHJLM-HNNXBMFYSA-N 2 2 333.480 2.467 20 30 EEEDLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344331655 161218026 /nfs/dbraw/zinc/21/80/26/161218026.db2.gz PGVXQXCRIQZVKO-OALUTQOASA-N 2 2 340.471 2.027 20 30 EEEDLP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000538408643 318035942 /nfs/dbraw/zinc/03/59/42/318035942.db2.gz JYERXOCWBYDXRL-UHFFFAOYSA-N 2 2 335.455 2.453 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNc2cccc(-n3cccn3)c2C#N)CC1 ZINC000574703106 320049714 /nfs/dbraw/zinc/04/97/14/320049714.db2.gz FNCPUZQNYQQSEH-UHFFFAOYSA-N 2 2 338.459 2.182 20 30 EEEDLP [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328614356 465071665 /nfs/dbraw/zinc/07/16/65/465071665.db2.gz RAJZWEQPHBOYFC-UONOGXRCSA-N 2 2 328.420 2.277 20 30 EEEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000159205172 463275135 /nfs/dbraw/zinc/27/51/35/463275135.db2.gz JAFBGJLPZVZPCK-UHFFFAOYSA-N 2 2 339.443 2.460 20 30 EEEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000159205172 463275145 /nfs/dbraw/zinc/27/51/45/463275145.db2.gz JAFBGJLPZVZPCK-UHFFFAOYSA-N 2 2 339.443 2.460 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC000291743348 464158442 /nfs/dbraw/zinc/15/84/42/464158442.db2.gz BANBVIRDPKNHRJ-QGZVFWFLSA-N 2 2 331.464 2.107 20 30 EEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068166 464278083 /nfs/dbraw/zinc/27/80/83/464278083.db2.gz BZVPPYSDEMCPJI-CVEARBPZSA-N 3 2 335.496 2.051 20 30 EEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068166 464278086 /nfs/dbraw/zinc/27/80/86/464278086.db2.gz BZVPPYSDEMCPJI-CVEARBPZSA-N 3 2 335.496 2.051 20 30 EEEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N(C)CCC#N ZINC000284827867 464356537 /nfs/dbraw/zinc/35/65/37/464356537.db2.gz BAFUOPWUKAPVRI-LJQANCHMSA-N 2 2 344.503 2.495 20 30 EEEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N(C)CCC#N ZINC000284827867 464356543 /nfs/dbraw/zinc/35/65/43/464356543.db2.gz BAFUOPWUKAPVRI-LJQANCHMSA-N 2 2 344.503 2.495 20 30 EEEDLP C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000330197908 465565237 /nfs/dbraw/zinc/56/52/37/465565237.db2.gz SLRJKRLATTUAMY-RKVPGOIHSA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330197041 465565970 /nfs/dbraw/zinc/56/59/70/465565970.db2.gz RGMIZHWEKSIPMF-FZKCQIBNSA-N 2 2 333.480 2.068 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330197041 465565973 /nfs/dbraw/zinc/56/59/73/465565973.db2.gz RGMIZHWEKSIPMF-FZKCQIBNSA-N 2 2 333.480 2.068 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330197041 465565978 /nfs/dbraw/zinc/56/59/78/465565978.db2.gz RGMIZHWEKSIPMF-FZKCQIBNSA-N 2 2 333.480 2.068 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330197041 465565981 /nfs/dbraw/zinc/56/59/81/465565981.db2.gz RGMIZHWEKSIPMF-FZKCQIBNSA-N 2 2 333.480 2.068 20 30 EEEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000597248971 468495409 /nfs/dbraw/zinc/49/54/09/468495409.db2.gz DTUZNIBQNHBSKE-UHFFFAOYSA-N 2 2 339.443 2.425 20 30 EEEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424059802 466967364 /nfs/dbraw/zinc/96/73/64/466967364.db2.gz GPDAUPLMLOCOCA-GJZGRUSLSA-N 2 2 345.834 2.300 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467370 468028616 /nfs/dbraw/zinc/02/86/16/468028616.db2.gz ATKOPZMFLUMALZ-HNAYVOBHSA-N 2 2 346.438 2.211 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467370 468028620 /nfs/dbraw/zinc/02/86/20/468028620.db2.gz ATKOPZMFLUMALZ-HNAYVOBHSA-N 2 2 346.438 2.211 20 30 EEEDLP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000593031219 468845870 /nfs/dbraw/zinc/84/58/70/468845870.db2.gz XYFNRHSIULPJMP-INIZCTEOSA-N 2 2 339.443 2.296 20 30 EEEDLP CN(C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507807 468882453 /nfs/dbraw/zinc/88/24/53/468882453.db2.gz QZMRSQSJGVWRDC-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507807 468882458 /nfs/dbraw/zinc/88/24/58/468882458.db2.gz QZMRSQSJGVWRDC-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507807 468882463 /nfs/dbraw/zinc/88/24/63/468882463.db2.gz QZMRSQSJGVWRDC-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507807 468882466 /nfs/dbraw/zinc/88/24/66/468882466.db2.gz QZMRSQSJGVWRDC-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP N#CCN1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000611438462 469250246 /nfs/dbraw/zinc/25/02/46/469250246.db2.gz SCNYFYHWIXOWNQ-UHFFFAOYSA-N 2 2 337.471 2.100 20 30 EEEDLP C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000602519619 469347718 /nfs/dbraw/zinc/34/77/18/469347718.db2.gz BSHHMGINZGDPPB-MRXNPFEDSA-N 2 2 343.475 2.344 20 30 EEEDLP C=C[C@](C)(CCOC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194293 470230231 /nfs/dbraw/zinc/23/02/31/470230231.db2.gz RPHZNLUXXZBHGW-GOSISDBHSA-N 2 2 332.448 2.001 20 30 EEEDLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000770002560 577588769 /nfs/dbraw/zinc/58/87/69/577588769.db2.gz WIXGFDFQSOFDOF-OAHLLOKOSA-N 2 2 338.411 2.458 20 30 EEEDLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000770002560 577588770 /nfs/dbraw/zinc/58/87/70/577588770.db2.gz WIXGFDFQSOFDOF-OAHLLOKOSA-N 2 2 338.411 2.458 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021586826 676240988 /nfs/dbraw/zinc/24/09/88/676240988.db2.gz FLOIMVYYPQUHEC-QZTJIDSGSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021586826 676240990 /nfs/dbraw/zinc/24/09/90/676240990.db2.gz FLOIMVYYPQUHEC-QZTJIDSGSA-N 2 2 336.439 2.202 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451985 679319414 /nfs/dbraw/zinc/31/94/14/679319414.db2.gz PYAXMTDSTOCISE-IRXDYDNUSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451985 679319416 /nfs/dbraw/zinc/31/94/16/679319416.db2.gz PYAXMTDSTOCISE-IRXDYDNUSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000972636003 679472456 /nfs/dbraw/zinc/47/24/56/679472456.db2.gz WKBKPUUXBSYIGS-UYAOXDASSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000972636003 679472458 /nfs/dbraw/zinc/47/24/58/679472458.db2.gz WKBKPUUXBSYIGS-UYAOXDASSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972636003 679472459 /nfs/dbraw/zinc/47/24/59/679472459.db2.gz WKBKPUUXBSYIGS-UYAOXDASSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972636003 679472460 /nfs/dbraw/zinc/47/24/60/679472460.db2.gz WKBKPUUXBSYIGS-UYAOXDASSA-N 2 2 349.519 2.130 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)s1 ZINC001024365460 679883159 /nfs/dbraw/zinc/88/31/59/679883159.db2.gz AXZCUVYVZKAQNG-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C#N)s1 ZINC001024365460 679883160 /nfs/dbraw/zinc/88/31/60/679883160.db2.gz AXZCUVYVZKAQNG-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001024365460 679883161 /nfs/dbraw/zinc/88/31/61/679883161.db2.gz AXZCUVYVZKAQNG-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001024365460 679883162 /nfs/dbraw/zinc/88/31/62/679883162.db2.gz AXZCUVYVZKAQNG-PBHICJAKSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024366999 679883860 /nfs/dbraw/zinc/88/38/60/679883860.db2.gz WSQGWVODUNESDG-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024366999 679883861 /nfs/dbraw/zinc/88/38/61/679883861.db2.gz WSQGWVODUNESDG-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024366999 679883862 /nfs/dbraw/zinc/88/38/62/679883862.db2.gz WSQGWVODUNESDG-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024366999 679883863 /nfs/dbraw/zinc/88/38/63/679883863.db2.gz WSQGWVODUNESDG-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974747557 685371573 /nfs/dbraw/zinc/37/15/73/685371573.db2.gz ZBXWKKPRBHWYBF-OAHLLOKOSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974747557 685371582 /nfs/dbraw/zinc/37/15/82/685371582.db2.gz ZBXWKKPRBHWYBF-OAHLLOKOSA-N 2 2 339.911 2.442 20 30 EEEDLP C[NH+]=C(NC[C@H](c1ccc(F)cc1)[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000261940459 682497475 /nfs/dbraw/zinc/49/74/75/682497475.db2.gz DLRBEFOLPHKSEQ-MJGOQNOKSA-N 2 2 348.466 2.116 20 30 EEEDLP C#C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000893267706 684411589 /nfs/dbraw/zinc/41/15/89/684411589.db2.gz NBXCPJGASCUSGV-SFHVURJKSA-N 2 2 346.519 2.134 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001026518274 684713664 /nfs/dbraw/zinc/71/36/64/684713664.db2.gz MVYMZJCGBCSDRZ-NFOMZHRRSA-N 2 2 336.867 2.215 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000985680026 687461953 /nfs/dbraw/zinc/46/19/53/687461953.db2.gz VHDGYJKAWRDJNU-UHFFFAOYSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000985680026 687461960 /nfs/dbraw/zinc/46/19/60/687461960.db2.gz VHDGYJKAWRDJNU-UHFFFAOYSA-N 2 2 349.519 2.130 20 30 EEEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986348843 688521807 /nfs/dbraw/zinc/52/18/07/688521807.db2.gz BNGHWYHUDPRFAV-BLLLJJGKSA-N 2 2 343.456 2.055 20 30 EEEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986348843 688521812 /nfs/dbraw/zinc/52/18/12/688521812.db2.gz BNGHWYHUDPRFAV-BLLLJJGKSA-N 2 2 343.456 2.055 20 30 EEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001032118204 1192637192 /nfs/dbraw/zinc/63/71/92/1192637192.db2.gz WLAAJIDKTUPTSO-INIZCTEOSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032118204 1192637194 /nfs/dbraw/zinc/63/71/94/1192637194.db2.gz WLAAJIDKTUPTSO-INIZCTEOSA-N 2 2 327.900 2.442 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032205953 1193083524 /nfs/dbraw/zinc/08/35/24/1193083524.db2.gz NMKZFKGAIRPTSZ-KRWDZBQOSA-N 2 2 346.500 2.042 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032205953 1193083525 /nfs/dbraw/zinc/08/35/25/1193083525.db2.gz NMKZFKGAIRPTSZ-KRWDZBQOSA-N 2 2 346.500 2.042 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001481771950 1182666529 /nfs/dbraw/zinc/66/65/29/1182666529.db2.gz BFSIHXMCJPUROE-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001481771950 1182666535 /nfs/dbraw/zinc/66/65/35/1182666535.db2.gz BFSIHXMCJPUROE-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001105443107 1187166621 /nfs/dbraw/zinc/16/66/21/1187166621.db2.gz XJLKDTUKIBZUTF-MSEWRSJXSA-N 2 2 338.455 2.335 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088631295 1188018297 /nfs/dbraw/zinc/01/82/97/1188018297.db2.gz CYMUBXVDGPZZQG-NJAFHUGGSA-N 2 2 331.504 2.099 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088631295 1188018300 /nfs/dbraw/zinc/01/83/00/1188018300.db2.gz CYMUBXVDGPZZQG-NJAFHUGGSA-N 2 2 331.504 2.099 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088631295 1188018304 /nfs/dbraw/zinc/01/83/04/1188018304.db2.gz CYMUBXVDGPZZQG-NJAFHUGGSA-N 2 2 331.504 2.099 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088631295 1188018308 /nfs/dbraw/zinc/01/83/08/1188018308.db2.gz CYMUBXVDGPZZQG-NJAFHUGGSA-N 2 2 331.504 2.099 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811356 1188552028 /nfs/dbraw/zinc/55/20/28/1188552028.db2.gz YJVJDMOTVXMBFU-OAGGEKHMSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088811356 1188552031 /nfs/dbraw/zinc/55/20/31/1188552031.db2.gz YJVJDMOTVXMBFU-OAGGEKHMSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088811356 1188552032 /nfs/dbraw/zinc/55/20/32/1188552032.db2.gz YJVJDMOTVXMBFU-OAGGEKHMSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088811356 1188552035 /nfs/dbraw/zinc/55/20/35/1188552035.db2.gz YJVJDMOTVXMBFU-OAGGEKHMSA-N 2 2 327.900 2.440 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001014725322 1224241814 /nfs/dbraw/zinc/24/18/14/1224241814.db2.gz CECBAXFGFMUBKB-QZTJIDSGSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001014725322 1224241817 /nfs/dbraw/zinc/24/18/17/1224241817.db2.gz CECBAXFGFMUBKB-QZTJIDSGSA-N 2 2 349.438 2.023 20 30 EEEDLP 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MXVCKNJXNUSNQI-HXUWFJFHSA-N 2 2 344.418 2.297 20 30 EEEDLP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936215 1209462728 /nfs/dbraw/zinc/46/27/28/1209462728.db2.gz MXVCKNJXNUSNQI-HXUWFJFHSA-N 2 2 344.418 2.297 20 30 EEEDLP C=CCC[N@@H+]1CCOC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000949482755 1209708476 /nfs/dbraw/zinc/70/84/76/1209708476.db2.gz CYIMMDSUMLTOHP-KRWDZBQOSA-N 2 2 346.475 2.104 20 30 EEEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCCCCC1 ZINC000305083148 1216144771 /nfs/dbraw/zinc/14/47/71/1216144771.db2.gz TVMZLFLBAGHUOL-UHFFFAOYSA-N 2 2 330.476 2.210 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)s1 ZINC000960150070 1216388357 /nfs/dbraw/zinc/38/83/57/1216388357.db2.gz FNRSKUZLMFHVTE-AWEZNQCLSA-N 2 2 343.456 2.056 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961284262 1217127304 /nfs/dbraw/zinc/12/73/04/1217127304.db2.gz HIMNGSIRRJUSSO-CVEARBPZSA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961284262 1217127307 /nfs/dbraw/zinc/12/73/07/1217127307.db2.gz HIMNGSIRRJUSSO-CVEARBPZSA-N 2 2 336.867 2.196 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963322273 1217515930 /nfs/dbraw/zinc/51/59/30/1217515930.db2.gz GWJIAABGIKJNFR-ROUUACIJSA-N 2 2 342.487 2.263 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963322273 1217515935 /nfs/dbraw/zinc/51/59/35/1217515935.db2.gz GWJIAABGIKJNFR-ROUUACIJSA-N 2 2 342.487 2.263 20 30 EEEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1CC ZINC001037944921 1220558347 /nfs/dbraw/zinc/55/83/47/1220558347.db2.gz IMKQPFDBLFDHKZ-WMZOPIPTSA-N 2 2 338.455 2.035 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001009072597 1223132487 /nfs/dbraw/zinc/13/24/87/1223132487.db2.gz KIMKXCCKPNKPMQ-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001009072597 1223132491 /nfs/dbraw/zinc/13/24/91/1223132491.db2.gz KIMKXCCKPNKPMQ-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001016822926 1226905252 /nfs/dbraw/zinc/90/52/52/1226905252.db2.gz IVEBILJBMIEZOL-ZBFHGGJFSA-N 2 2 328.460 2.376 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC001019365653 1229031838 /nfs/dbraw/zinc/03/18/38/1229031838.db2.gz LKKIWCOWLDBBIT-IRXDYDNUSA-N 2 2 349.438 2.092 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001039140237 1230356013 /nfs/dbraw/zinc/35/60/13/1230356013.db2.gz RBUZHSDZNWIKHK-ROUUACIJSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001039140237 1230356017 /nfs/dbraw/zinc/35/60/17/1230356017.db2.gz RBUZHSDZNWIKHK-ROUUACIJSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001040270697 1231144350 /nfs/dbraw/zinc/14/43/50/1231144350.db2.gz NCUHRDRDVGJRIR-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001040270697 1231144353 /nfs/dbraw/zinc/14/43/53/1231144353.db2.gz NCUHRDRDVGJRIR-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293391 1231156018 /nfs/dbraw/zinc/15/60/18/1231156018.db2.gz WWOZTBCYQMRCNH-FQEVSTJZSA-N 2 2 336.439 2.286 20 30 EEEDLP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293391 1231156020 /nfs/dbraw/zinc/15/60/20/1231156020.db2.gz WWOZTBCYQMRCNH-FQEVSTJZSA-N 2 2 336.439 2.286 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042296594 1232011408 /nfs/dbraw/zinc/01/14/08/1232011408.db2.gz CKDCBVHNPTXCEN-QFBILLFUSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 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2 330.476 2.397 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049546356 1241345821 /nfs/dbraw/zinc/34/58/21/1241345821.db2.gz PURGZKUZWMMBLZ-DLBZAZTESA-N 2 2 328.460 2.015 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049546356 1241345831 /nfs/dbraw/zinc/34/58/31/1241345831.db2.gz PURGZKUZWMMBLZ-DLBZAZTESA-N 2 2 328.460 2.015 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001049750174 1242083967 /nfs/dbraw/zinc/08/39/67/1242083967.db2.gz JKAHKSLDUZIDRT-MOPGFXCFSA-N 2 2 349.438 2.089 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001049750174 1242083973 /nfs/dbraw/zinc/08/39/73/1242083973.db2.gz JKAHKSLDUZIDRT-MOPGFXCFSA-N 2 2 349.438 2.089 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001001366966 1242139837 /nfs/dbraw/zinc/13/98/37/1242139837.db2.gz GDGXFSZPRWUHPN-UHFFFAOYSA-N 2 2 337.427 2.205 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001001366966 1242139843 /nfs/dbraw/zinc/13/98/43/1242139843.db2.gz GDGXFSZPRWUHPN-UHFFFAOYSA-N 2 2 337.427 2.205 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052503631 1247441452 /nfs/dbraw/zinc/44/14/52/1247441452.db2.gz WLNDPLHTHAOQLH-LSDHHAIUSA-N 2 2 336.867 2.169 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052503631 1247441458 /nfs/dbraw/zinc/44/14/58/1247441458.db2.gz WLNDPLHTHAOQLH-LSDHHAIUSA-N 2 2 336.867 2.169 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001052594749 1247632543 /nfs/dbraw/zinc/63/25/43/1247632543.db2.gz NFBHBCUBJJKCKO-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001052594749 1247632550 /nfs/dbraw/zinc/63/25/50/1247632550.db2.gz NFBHBCUBJJKCKO-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001052594749 1247632559 /nfs/dbraw/zinc/63/25/59/1247632559.db2.gz NFBHBCUBJJKCKO-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001052594749 1247632566 /nfs/dbraw/zinc/63/25/66/1247632566.db2.gz NFBHBCUBJJKCKO-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898176 1255470034 /nfs/dbraw/zinc/47/00/34/1255470034.db2.gz MMHNLDXZYLDSJG-UHFFFAOYSA-N 2 2 330.819 2.235 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898176 1255470039 /nfs/dbraw/zinc/47/00/39/1255470039.db2.gz MMHNLDXZYLDSJG-UHFFFAOYSA-N 2 2 330.819 2.235 20 30 EEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185594863 1278711165 /nfs/dbraw/zinc/71/11/65/1278711165.db2.gz KKZHNQHNBYYLTR-DLBZAZTESA-N 2 2 332.492 2.393 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCO1 ZINC001201387752 1289553312 /nfs/dbraw/zinc/55/33/12/1289553312.db2.gz BMENMAMUDCVTDN-HZPDHXFCSA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211294018 1295806522 /nfs/dbraw/zinc/80/65/22/1295806522.db2.gz WFBCBTQTDAHUFH-QZTJIDSGSA-N 2 2 330.476 2.231 20 30 EEEDLP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218542191 1297706490 /nfs/dbraw/zinc/70/64/90/1297706490.db2.gz RJPUZFOPPXNYTC-AAEUAGOBSA-N 2 2 330.388 2.054 20 30 EEEDLP CCOC(=O)[C@@]12C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222130222 1299373614 /nfs/dbraw/zinc/37/36/14/1299373614.db2.gz BQWXBIXODZURFG-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222130222 1299373622 /nfs/dbraw/zinc/37/36/22/1299373622.db2.gz BQWXBIXODZURFG-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP CCOC(=O)[C@@]12C[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]1C[NH2+]CCC2 ZINC001222130628 1299374260 /nfs/dbraw/zinc/37/42/60/1299374260.db2.gz HCNUNKGXBWTIHN-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(C#N)ccc3F)C[C@@H]1C[NH2+]CCC2 ZINC001222130628 1299374267 /nfs/dbraw/zinc/37/42/67/1299374267.db2.gz HCNUNKGXBWTIHN-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3[nH]ccc3C#N)C2)C1 ZINC001276840175 1299874060 /nfs/dbraw/zinc/87/40/60/1299874060.db2.gz KGCLHWHEUPPVEG-LJQANCHMSA-N 2 2 329.492 2.126 20 30 EEEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3[nH]ccc3C#N)C2)C1 ZINC001276840175 1299874074 /nfs/dbraw/zinc/87/40/74/1299874074.db2.gz KGCLHWHEUPPVEG-LJQANCHMSA-N 2 2 329.492 2.126 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001229472505 1302798947 /nfs/dbraw/zinc/79/89/47/1302798947.db2.gz ODWJIPQOILOTNP-IAGOWNOFSA-N 2 2 339.443 2.474 20 30 EEEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001232120827 1304007456 /nfs/dbraw/zinc/00/74/56/1304007456.db2.gz YZVYDCZHXXIMOQ-UHFFFAOYSA-N 2 2 332.879 2.423 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232924209 1304294648 /nfs/dbraw/zinc/29/46/48/1304294648.db2.gz UQLRIQMBMZQSDV-MSOLQXFVSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232924209 1304294651 /nfs/dbraw/zinc/29/46/51/1304294651.db2.gz UQLRIQMBMZQSDV-MSOLQXFVSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232924209 1304294654 /nfs/dbraw/zinc/29/46/54/1304294654.db2.gz UQLRIQMBMZQSDV-MSOLQXFVSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232924209 1304294656 /nfs/dbraw/zinc/29/46/56/1304294656.db2.gz UQLRIQMBMZQSDV-MSOLQXFVSA-N 2 2 333.439 2.302 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1([NH+](C)C)CCC1 ZINC001235356258 1305204087 /nfs/dbraw/zinc/20/40/87/1305204087.db2.gz WJOUOFVNQYNPQG-CQSZACIVSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1([NH+](C)C)CCC1 ZINC001235356258 1305204093 /nfs/dbraw/zinc/20/40/93/1305204093.db2.gz WJOUOFVNQYNPQG-CQSZACIVSA-N 2 2 346.500 2.137 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC[C@H]3CCSC3)cc2F)CC1 ZINC001117683835 1306144926 /nfs/dbraw/zinc/14/49/26/1306144926.db2.gz IXSQKMZRJAMGAI-OAHLLOKOSA-N 2 2 336.480 2.254 20 30 EEEDLP CN(C)/C=[NH+]/c1ccc(-c2ccnc(N3CC[NH2+]CC3)c2)cc1C#N ZINC001242396290 1309660176 /nfs/dbraw/zinc/66/01/76/1309660176.db2.gz DZSDMFSNEIPNCI-OEAKJJBVSA-N 2 2 334.427 2.251 20 30 EEEDLP COc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)cc1F ZINC001246963755 1310481237 /nfs/dbraw/zinc/48/12/37/1310481237.db2.gz YBSWXNOGHVDTDF-DOTOQJQBSA-N 2 2 346.450 2.032 20 30 EEEDLP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)cc1F ZINC001246963755 1310481247 /nfs/dbraw/zinc/48/12/47/1310481247.db2.gz YBSWXNOGHVDTDF-DOTOQJQBSA-N 2 2 346.450 2.032 20 30 EEEDLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)CC1 ZINC001139405988 1314739937 /nfs/dbraw/zinc/73/99/37/1314739937.db2.gz IDYWHVZSMCNHQZ-UHFFFAOYSA-N 2 2 347.466 2.052 20 30 EEEDLP N#CC1CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139760013 1314766491 /nfs/dbraw/zinc/76/64/91/1314766491.db2.gz JGTOATAJPJEIJZ-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccnc(OCC)c2)CC1 ZINC001250019467 1317208717 /nfs/dbraw/zinc/20/87/17/1317208717.db2.gz RWSYYCMZUPBMHL-UHFFFAOYSA-N 2 2 344.503 2.272 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255718 1317526310 /nfs/dbraw/zinc/52/63/10/1317526310.db2.gz ZELRKEJFLGSBNT-GXTWGEPZSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255718 1317526317 /nfs/dbraw/zinc/52/63/17/1317526317.db2.gz ZELRKEJFLGSBNT-GXTWGEPZSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255718 1317526325 /nfs/dbraw/zinc/52/63/25/1317526325.db2.gz ZELRKEJFLGSBNT-GXTWGEPZSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255718 1317526303 /nfs/dbraw/zinc/52/63/03/1317526303.db2.gz ZELRKEJFLGSBNT-GXTWGEPZSA-N 2 2 346.313 2.063 20 30 EEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252473217 1317611363 /nfs/dbraw/zinc/61/13/63/1317611363.db2.gz IQHJMHOIVRGMOI-IBGZPJMESA-N 2 2 336.451 2.285 20 30 EEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252473217 1317611368 /nfs/dbraw/zinc/61/13/68/1317611368.db2.gz IQHJMHOIVRGMOI-IBGZPJMESA-N 2 2 336.451 2.285 20 30 EEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001158148385 1319043645 /nfs/dbraw/zinc/04/36/45/1319043645.db2.gz OPFUUCBICBJHED-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001158148385 1319043652 /nfs/dbraw/zinc/04/36/52/1319043652.db2.gz OPFUUCBICBJHED-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001158148385 1319043666 /nfs/dbraw/zinc/04/36/66/1319043666.db2.gz OPFUUCBICBJHED-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001158148385 1319043677 /nfs/dbraw/zinc/04/36/77/1319043677.db2.gz OPFUUCBICBJHED-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP N#Cc1ccc(NC(=O)CC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC001580070521 1344463737 /nfs/dbraw/zinc/46/37/37/1344463737.db2.gz ZXKODKFYPASTKD-WBVHZDCISA-N 2 2 332.835 2.414 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001135133264 1368054124 /nfs/dbraw/zinc/05/41/24/1368054124.db2.gz XSSZTEQSHQBNJD-QZTJIDSGSA-N 2 2 338.455 2.198 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001389532504 1388176674 /nfs/dbraw/zinc/17/66/74/1388176674.db2.gz SKIGRVLJIDNSBW-OAHLLOKOSA-N 2 2 336.867 2.076 20 30 EEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001374163431 1376602884 /nfs/dbraw/zinc/60/28/84/1376602884.db2.gz NWMILSLKAQXTFG-CQSZACIVSA-N 2 2 336.867 2.217 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[NH+](C)C1CCC1 ZINC001374500591 1376880355 /nfs/dbraw/zinc/88/03/55/1376880355.db2.gz WIJYSIWPMFUBQI-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[NH+](C)C1CCC1 ZINC001374500591 1376880358 /nfs/dbraw/zinc/88/03/58/1376880358.db2.gz WIJYSIWPMFUBQI-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1ccc(C#N)cc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001374500591 1376880364 /nfs/dbraw/zinc/88/03/64/1376880364.db2.gz WIJYSIWPMFUBQI-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1ccc(C#N)cc1F)C(=O)C[N@@H+](C)C1CCC1 ZINC001374500591 1376880368 /nfs/dbraw/zinc/88/03/68/1376880368.db2.gz WIJYSIWPMFUBQI-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1F ZINC001753083800 1406674128 /nfs/dbraw/zinc/67/41/28/1406674128.db2.gz RPXHFJVLHQNUHN-LPHOPBHVSA-N 2 2 345.462 2.422 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1F ZINC001753083800 1406674136 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BIDAAZSUAXLTDX-DLBZAZTESA-N 2 2 342.418 2.252 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079186405 794466187 /nfs/dbraw/zinc/46/61/87/794466187.db2.gz KAHALRXDTVBXND-ZWKOTPCHSA-N 2 2 342.418 2.252 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079186405 794466193 /nfs/dbraw/zinc/46/61/93/794466193.db2.gz KAHALRXDTVBXND-ZWKOTPCHSA-N 2 2 342.418 2.252 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036860740 795547077 /nfs/dbraw/zinc/54/70/77/795547077.db2.gz NNRWLSNNNXOAKW-ICSRJNTNSA-N 2 2 348.450 2.432 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036860740 795547083 /nfs/dbraw/zinc/54/70/83/795547083.db2.gz NNRWLSNNNXOAKW-ICSRJNTNSA-N 2 2 348.450 2.432 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509488 796336375 /nfs/dbraw/zinc/33/63/75/796336375.db2.gz INVQDBPFZLAFHN-XAUMDUMWSA-N 2 2 340.471 2.214 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C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994206450 797387389 /nfs/dbraw/zinc/38/73/89/797387389.db2.gz CLEZCDFNAQYWIM-GDBMZVCRSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994206450 797387392 /nfs/dbraw/zinc/38/73/92/797387392.db2.gz CLEZCDFNAQYWIM-GDBMZVCRSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002040789 797503130 /nfs/dbraw/zinc/50/31/30/797503130.db2.gz GYQJQPSIUCVGPX-UHFFFAOYSA-N 2 2 339.443 2.285 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479440 798118906 /nfs/dbraw/zinc/11/89/06/798118906.db2.gz RIUYQZYZKZRRJW-HNNXBMFYSA-N 2 2 339.443 2.289 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176974002 798667435 /nfs/dbraw/zinc/66/74/35/798667435.db2.gz QWAKIETXZCRGSJ-IRXDYDNUSA-N 2 2 328.460 2.065 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176974002 798667438 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/nfs/dbraw/zinc/17/64/96/802176496.db2.gz VWDGFHCTCCZAOD-MJGOQNOKSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004475952 802176500 /nfs/dbraw/zinc/17/65/00/802176500.db2.gz VWDGFHCTCCZAOD-MJGOQNOKSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001108337083 803318707 /nfs/dbraw/zinc/31/87/07/803318707.db2.gz SFYONCHNEJYUPD-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001108337083 803318717 /nfs/dbraw/zinc/31/87/17/803318717.db2.gz SFYONCHNEJYUPD-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001108337083 803318726 /nfs/dbraw/zinc/31/87/26/803318726.db2.gz SFYONCHNEJYUPD-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001108337083 803318734 /nfs/dbraw/zinc/31/87/34/803318734.db2.gz SFYONCHNEJYUPD-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001108790918 804511500 /nfs/dbraw/zinc/51/15/00/804511500.db2.gz MDISTJPKLVQSDY-HQRMLTQVSA-N 2 2 348.450 2.478 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001112868282 807501096 /nfs/dbraw/zinc/50/10/96/807501096.db2.gz LBUWOCMMUKKGKX-YJBOKZPZSA-N 2 2 345.491 2.289 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001112868282 807501104 /nfs/dbraw/zinc/50/11/04/807501104.db2.gz LBUWOCMMUKKGKX-YJBOKZPZSA-N 2 2 345.491 2.289 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001113489787 809065179 /nfs/dbraw/zinc/06/51/79/809065179.db2.gz NBIZVPPLBOAYNV-MRXNPFEDSA-N 2 2 339.443 2.380 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC001130266229 811379641 /nfs/dbraw/zinc/37/96/41/811379641.db2.gz PRZQVYBIERVDKS-UHFFFAOYSA-N 2 2 325.397 2.016 20 30 EEEDLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329325234 539771566 /nfs/dbraw/zinc/77/15/66/539771566.db2.gz VZULDUYQWJVBOF-LLVKDONJSA-N 2 2 345.369 2.028 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113515399 237162940 /nfs/dbraw/zinc/16/29/40/237162940.db2.gz ZTIROFPTDGBIJC-SFHVURJKSA-N 2 2 342.487 2.434 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113515399 237162952 /nfs/dbraw/zinc/16/29/52/237162952.db2.gz ZTIROFPTDGBIJC-SFHVURJKSA-N 2 2 342.487 2.434 20 30 EEEDLP Cc1ccc(C#N)c(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000270937990 256189913 /nfs/dbraw/zinc/18/99/13/256189913.db2.gz JDGZIAKZGWGEPI-UHFFFAOYSA-N 2 2 327.476 2.257 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246185277 160266133 /nfs/dbraw/zinc/26/61/33/160266133.db2.gz LFETYJCGKAQXSF-WBVHZDCISA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246185277 160266134 /nfs/dbraw/zinc/26/61/34/160266134.db2.gz LFETYJCGKAQXSF-WBVHZDCISA-N 2 2 326.444 2.303 20 30 EEEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368660147 166100116 /nfs/dbraw/zinc/10/01/16/166100116.db2.gz BNVGKGJWRFBHMV-SFHVURJKSA-N 2 2 341.459 2.190 20 30 EEEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368660147 166100118 /nfs/dbraw/zinc/10/01/18/166100118.db2.gz BNVGKGJWRFBHMV-SFHVURJKSA-N 2 2 341.459 2.190 20 30 EEEDLP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000369114189 166193294 /nfs/dbraw/zinc/19/32/94/166193294.db2.gz ZVWWZYLFKSWFDK-VQIMIIECSA-N 2 2 342.487 2.025 20 30 EEEDLP Cc1cc(NCC2(C[NH+]3CCOCC3)CCCCC2)c(C#N)c[nH+]1 ZINC000564877093 319121451 /nfs/dbraw/zinc/12/14/51/319121451.db2.gz QKJNKQCZZNUDDO-UHFFFAOYSA-N 2 2 328.460 2.378 20 30 EEEDLP CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590636545 468293526 /nfs/dbraw/zinc/29/35/26/468293526.db2.gz WIUHZWSQEVGIKJ-PXNSSMCTSA-N 2 2 344.503 2.087 20 30 EEEDLP CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590636545 468293528 /nfs/dbraw/zinc/29/35/28/468293528.db2.gz WIUHZWSQEVGIKJ-PXNSSMCTSA-N 2 2 344.503 2.087 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229653 463397705 /nfs/dbraw/zinc/39/77/05/463397705.db2.gz JIFBFPOMZGSGLX-QZTJIDSGSA-N 2 2 334.508 2.335 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229653 463397712 /nfs/dbraw/zinc/39/77/12/463397712.db2.gz JIFBFPOMZGSGLX-QZTJIDSGSA-N 2 2 334.508 2.335 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1(C#N)CCCCC1 ZINC000150858817 463442470 /nfs/dbraw/zinc/44/24/70/463442470.db2.gz KLYRRAIOGXCHPR-QGZVFWFLSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1(C#N)CCCCC1 ZINC000150858817 463442473 /nfs/dbraw/zinc/44/24/73/463442473.db2.gz KLYRRAIOGXCHPR-QGZVFWFLSA-N 2 2 332.492 2.089 20 30 EEEDLP C#CC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000491658568 468362017 /nfs/dbraw/zinc/36/20/17/468362017.db2.gz LESAKYDTQVEDEX-IBGZPJMESA-N 2 2 331.460 2.128 20 30 EEEDLP C#CC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000491658568 468362021 /nfs/dbraw/zinc/36/20/21/468362021.db2.gz LESAKYDTQVEDEX-IBGZPJMESA-N 2 2 331.460 2.128 20 30 EEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000083198840 463540125 /nfs/dbraw/zinc/54/01/25/463540125.db2.gz PSMFZZKRKDJDAE-SFHVURJKSA-N 2 2 329.444 2.436 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000170906236 463739331 /nfs/dbraw/zinc/73/93/31/463739331.db2.gz PBYJUIZEVMJTMQ-AWEZNQCLSA-N 2 2 332.473 2.464 20 30 EEEDLP CC1CC[NH+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000269111679 463877931 /nfs/dbraw/zinc/87/79/31/463877931.db2.gz XILAMOIEWTZIQI-UHFFFAOYSA-N 2 2 326.488 2.408 20 30 EEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005972 464381521 /nfs/dbraw/zinc/38/15/21/464381521.db2.gz PFXRQTLWBMHAJO-HXUWFJFHSA-N 2 2 340.471 2.351 20 30 EEEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005972 464381529 /nfs/dbraw/zinc/38/15/29/464381529.db2.gz PFXRQTLWBMHAJO-HXUWFJFHSA-N 2 2 340.471 2.351 20 30 EEEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005972 464381534 /nfs/dbraw/zinc/38/15/34/464381534.db2.gz PFXRQTLWBMHAJO-HXUWFJFHSA-N 2 2 340.471 2.351 20 30 EEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005972 464381542 /nfs/dbraw/zinc/38/15/42/464381542.db2.gz PFXRQTLWBMHAJO-HXUWFJFHSA-N 2 2 340.471 2.351 20 30 EEEDLP Cc1cc(C)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000329889934 465463763 /nfs/dbraw/zinc/46/37/63/465463763.db2.gz FIZSTNVXXDFWNM-UHFFFAOYSA-N 2 2 346.475 2.267 20 30 EEEDLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000362231553 465592421 /nfs/dbraw/zinc/59/24/21/465592421.db2.gz UEZONNJXUFZGMI-MRXNPFEDSA-N 2 2 342.487 2.146 20 30 EEEDLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000362231553 465592426 /nfs/dbraw/zinc/59/24/26/465592426.db2.gz UEZONNJXUFZGMI-MRXNPFEDSA-N 2 2 342.487 2.146 20 30 EEEDLP CN(C)c1[nH+]cccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330317420 465610321 /nfs/dbraw/zinc/61/03/21/465610321.db2.gz QKLITZZWHIVHBJ-UHFFFAOYSA-N 2 2 331.464 2.026 20 30 EEEDLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000371300706 465699543 /nfs/dbraw/zinc/69/95/43/465699543.db2.gz BOPIHOMSXZINGW-APWZRJJASA-N 2 2 342.487 2.025 20 30 EEEDLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000371300706 465699546 /nfs/dbraw/zinc/69/95/46/465699546.db2.gz BOPIHOMSXZINGW-APWZRJJASA-N 2 2 342.487 2.025 20 30 EEEDLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349387255 466094347 /nfs/dbraw/zinc/09/43/47/466094347.db2.gz SWQDTVUIOXKSCL-IBGZPJMESA-N 2 2 342.487 2.369 20 30 EEEDLP N#Cc1csc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000304618164 466305957 /nfs/dbraw/zinc/30/59/57/466305957.db2.gz HGSKGVJPLWYNDD-KRWDZBQOSA-N 2 2 327.453 2.129 20 30 EEEDLP N#Cc1csc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000304618164 466305962 /nfs/dbraw/zinc/30/59/62/466305962.db2.gz HGSKGVJPLWYNDD-KRWDZBQOSA-N 2 2 327.453 2.129 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362081479 466539456 /nfs/dbraw/zinc/53/94/56/466539456.db2.gz WPNBDBVXZIRJMB-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362081479 466539464 /nfs/dbraw/zinc/53/94/64/466539464.db2.gz WPNBDBVXZIRJMB-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP C=C(CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000376706959 466926561 /nfs/dbraw/zinc/92/65/61/466926561.db2.gz OSCROUJZGJQCHE-SFHVURJKSA-N 2 2 342.487 2.168 20 30 EEEDLP C=C(CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000376706959 466926565 /nfs/dbraw/zinc/92/65/65/466926565.db2.gz OSCROUJZGJQCHE-SFHVURJKSA-N 2 2 342.487 2.168 20 30 EEEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)C1 ZINC000424139542 466987933 /nfs/dbraw/zinc/98/79/33/466987933.db2.gz RHDAVIRXLITYNH-OCCSQVGLSA-N 2 2 335.477 2.335 20 30 EEEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)C1 ZINC000424139542 466987938 /nfs/dbraw/zinc/98/79/38/466987938.db2.gz RHDAVIRXLITYNH-OCCSQVGLSA-N 2 2 335.477 2.335 20 30 EEEDLP Cc1cc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425204900 467088692 /nfs/dbraw/zinc/08/86/92/467088692.db2.gz IMPISQKEYUOIPN-UHFFFAOYSA-N 2 2 339.418 2.057 20 30 EEEDLP Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C#N)c[nH+]1 ZINC000425222561 467089030 /nfs/dbraw/zinc/08/90/30/467089030.db2.gz ISVMKJYGPPYSAS-UHFFFAOYSA-N 2 2 336.439 2.252 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000488576785 468092669 /nfs/dbraw/zinc/09/26/69/468092669.db2.gz CPHYXPKYSJAEQD-DLBZAZTESA-N 2 2 345.491 2.196 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(F)(F)F ZINC000601153391 468762023 /nfs/dbraw/zinc/76/20/23/468762023.db2.gz NAWWIAANJRTOEB-BLLLJJGKSA-N 2 2 341.377 2.424 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(C(N)=O)c3)CC2)c1 ZINC000593693378 469098020 /nfs/dbraw/zinc/09/80/20/469098020.db2.gz WUZOBPGIBCTJDK-UHFFFAOYSA-N 2 2 348.450 2.411 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)CC1 ZINC000564817934 469259530 /nfs/dbraw/zinc/25/95/30/469259530.db2.gz KLSRPAXPFNUONZ-UHFFFAOYSA-N 2 2 346.519 2.479 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)CC1 ZINC000564817934 469259537 /nfs/dbraw/zinc/25/95/37/469259537.db2.gz KLSRPAXPFNUONZ-UHFFFAOYSA-N 2 2 346.519 2.479 20 30 EEEDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426507 469393055 /nfs/dbraw/zinc/39/30/55/469393055.db2.gz AEMAOBCXELGSJN-XLIONFOSSA-N 2 2 342.487 2.005 20 30 EEEDLP C#Cc1cccc(NC(=S)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000726481920 576268009 /nfs/dbraw/zinc/26/80/09/576268009.db2.gz GSDPVVBFZWXFHX-UHFFFAOYSA-N 2 2 344.528 2.323 20 30 EEEDLP C#Cc1cccc(NC(=S)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000726481920 576268012 /nfs/dbraw/zinc/26/80/12/576268012.db2.gz GSDPVVBFZWXFHX-UHFFFAOYSA-N 2 2 344.528 2.323 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCCCC3(C)C)cn2)CC1 ZINC000773126520 577317771 /nfs/dbraw/zinc/31/77/71/577317771.db2.gz UAWDTJDMXBSCEH-MRXNPFEDSA-N 2 2 330.480 2.121 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(SCC)cc2)CC1 ZINC000775356581 577435828 /nfs/dbraw/zinc/43/58/28/577435828.db2.gz YQHYFMMKHLXPRO-INIZCTEOSA-N 2 2 345.512 2.227 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000748812294 577967186 /nfs/dbraw/zinc/96/71/86/577967186.db2.gz BZCCQBFPMROOIX-UHFFFAOYSA-N 2 2 347.890 2.328 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000748812294 577967187 /nfs/dbraw/zinc/96/71/87/577967187.db2.gz BZCCQBFPMROOIX-UHFFFAOYSA-N 2 2 347.890 2.328 20 30 EEEDLP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000972352724 678590981 /nfs/dbraw/zinc/59/09/81/678590981.db2.gz CSEBXECELADHRW-MSOLQXFVSA-N 2 2 346.450 2.070 20 30 EEEDLP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000972352724 678590984 /nfs/dbraw/zinc/59/09/84/678590984.db2.gz CSEBXECELADHRW-MSOLQXFVSA-N 2 2 346.450 2.070 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001023380653 679280224 /nfs/dbraw/zinc/28/02/24/679280224.db2.gz DVKKSIAOIZAQEK-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001023380653 679280226 /nfs/dbraw/zinc/28/02/26/679280226.db2.gz DVKKSIAOIZAQEK-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380653 679280227 /nfs/dbraw/zinc/28/02/27/679280227.db2.gz DVKKSIAOIZAQEK-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380653 679280229 /nfs/dbraw/zinc/28/02/29/679280229.db2.gz DVKKSIAOIZAQEK-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600839 679405543 /nfs/dbraw/zinc/40/55/43/679405543.db2.gz LBYGNELRPSFHAL-RRFJBIMHSA-N 2 2 336.867 2.104 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600839 679405544 /nfs/dbraw/zinc/40/55/44/679405544.db2.gz LBYGNELRPSFHAL-RRFJBIMHSA-N 2 2 336.867 2.104 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974747553 685371734 /nfs/dbraw/zinc/37/17/34/685371734.db2.gz ZBXWKKPRBHWYBF-HNNXBMFYSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974747553 685371742 /nfs/dbraw/zinc/37/17/42/685371742.db2.gz ZBXWKKPRBHWYBF-HNNXBMFYSA-N 2 2 339.911 2.442 20 30 EEEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982541447 681607046 /nfs/dbraw/zinc/60/70/46/681607046.db2.gz KGKMSPOWYOKVBZ-YSGRDPCXSA-N 2 2 340.471 2.023 20 30 EEEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982541447 681607048 /nfs/dbraw/zinc/60/70/48/681607048.db2.gz KGKMSPOWYOKVBZ-YSGRDPCXSA-N 2 2 340.471 2.023 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC000974686509 685225114 /nfs/dbraw/zinc/22/51/14/685225114.db2.gz PJNNBYOHXMDIHC-ZWKOTPCHSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC1(C)C ZINC000974686509 685225119 /nfs/dbraw/zinc/22/51/19/685225119.db2.gz PJNNBYOHXMDIHC-ZWKOTPCHSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)CC1(C)C ZINC000974686509 685225124 /nfs/dbraw/zinc/22/51/24/685225124.db2.gz PJNNBYOHXMDIHC-ZWKOTPCHSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)CC1(C)C ZINC000974686509 685225128 /nfs/dbraw/zinc/22/51/28/685225128.db2.gz PJNNBYOHXMDIHC-ZWKOTPCHSA-N 2 2 331.504 2.101 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988875732 691272727 /nfs/dbraw/zinc/27/27/27/691272727.db2.gz PBTGAKJBJBOVJU-ZIAGYGMSSA-N 2 2 336.867 2.093 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001267965536 1180863340 /nfs/dbraw/zinc/86/33/40/1180863340.db2.gz KDQCDPMVXIMQJR-QGZVFWFLSA-N 2 2 326.444 2.342 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001088408706 1186817725 /nfs/dbraw/zinc/81/77/25/1186817725.db2.gz GWHOVIKNBSAHFT-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105574892 1188189017 /nfs/dbraw/zinc/18/90/17/1188189017.db2.gz LDVRWPVMEHKGMY-SFHVURJKSA-N 2 2 342.487 2.127 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168367563 1189197235 /nfs/dbraw/zinc/19/72/35/1189197235.db2.gz ZBEHZBCZUBRAFH-KRWDZBQOSA-N 2 2 330.476 2.137 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001034713859 1196602769 /nfs/dbraw/zinc/60/27/69/1196602769.db2.gz YBKRKLFZKVGUME-ZHALLVOQSA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001034713859 1196602771 /nfs/dbraw/zinc/60/27/71/1196602771.db2.gz YBKRKLFZKVGUME-ZHALLVOQSA-N 2 2 349.519 2.223 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001108157202 1196717933 /nfs/dbraw/zinc/71/79/33/1196717933.db2.gz QUKFGLILNNBRQK-UYAOXDASSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001108157202 1196717938 /nfs/dbraw/zinc/71/79/38/1196717938.db2.gz QUKFGLILNNBRQK-UYAOXDASSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001108157202 1196717942 /nfs/dbraw/zinc/71/79/42/1196717942.db2.gz QUKFGLILNNBRQK-UYAOXDASSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001108157202 1196717944 /nfs/dbraw/zinc/71/79/44/1196717944.db2.gz QUKFGLILNNBRQK-UYAOXDASSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403334 1199535910 /nfs/dbraw/zinc/53/59/10/1199535910.db2.gz MHNXCKUFAKEVRL-KGLIPLIRSA-N 2 2 338.883 2.387 20 30 EEEDLP C[C@H](CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001134498452 1199626320 /nfs/dbraw/zinc/62/63/20/1199626320.db2.gz HAVOAWLRVNPJPS-OAHLLOKOSA-N 2 2 344.846 2.245 20 30 EEEDLP C=C(Br)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410739 1199679940 /nfs/dbraw/zinc/67/99/40/1199679940.db2.gz NMPXDAXGTXSVCD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410739 1199679942 /nfs/dbraw/zinc/67/99/42/1199679942.db2.gz NMPXDAXGTXSVCD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410739 1199679944 /nfs/dbraw/zinc/67/99/44/1199679944.db2.gz NMPXDAXGTXSVCD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410739 1199679946 /nfs/dbraw/zinc/67/99/46/1199679946.db2.gz NMPXDAXGTXSVCD-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132925598 1200201841 /nfs/dbraw/zinc/20/18/41/1200201841.db2.gz YTNONQQCVDYWMK-NVXWUHKLSA-N 2 2 331.460 2.283 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112085 1224763311 /nfs/dbraw/zinc/76/33/11/1224763311.db2.gz BIMQRDDWEYTCNC-GOSISDBHSA-N 2 2 345.406 2.210 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112085 1224763318 /nfs/dbraw/zinc/76/33/18/1224763318.db2.gz BIMQRDDWEYTCNC-GOSISDBHSA-N 2 2 345.406 2.210 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566403 1209226842 /nfs/dbraw/zinc/22/68/42/1209226842.db2.gz ODTHIDHXGAGGQE-IRXDYDNUSA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566403 1209226847 /nfs/dbraw/zinc/22/68/47/1209226847.db2.gz ODTHIDHXGAGGQE-IRXDYDNUSA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566403 1209226850 /nfs/dbraw/zinc/22/68/50/1209226850.db2.gz ODTHIDHXGAGGQE-IRXDYDNUSA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566403 1209226855 /nfs/dbraw/zinc/22/68/55/1209226855.db2.gz ODTHIDHXGAGGQE-IRXDYDNUSA-N 2 2 342.487 2.159 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948566990 1209226872 /nfs/dbraw/zinc/22/68/72/1209226872.db2.gz RYKIGGMPZXKYEM-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948566990 1209226874 /nfs/dbraw/zinc/22/68/74/1209226874.db2.gz RYKIGGMPZXKYEM-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000948916453 1209451258 /nfs/dbraw/zinc/45/12/58/1209451258.db2.gz WPKWABNZKCQKHA-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000948916453 1209451260 /nfs/dbraw/zinc/45/12/60/1209451260.db2.gz WPKWABNZKCQKHA-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000948916453 1209451262 /nfs/dbraw/zinc/45/12/62/1209451262.db2.gz WPKWABNZKCQKHA-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000948916453 1209451265 /nfs/dbraw/zinc/45/12/65/1209451265.db2.gz WPKWABNZKCQKHA-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H](C)n1cc[nH+]c1)CCO2 ZINC000949202264 1209575209 /nfs/dbraw/zinc/57/52/09/1209575209.db2.gz GXCCEGFJEAILIA-QGZVFWFLSA-N 2 2 346.475 2.104 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618823 1215262955 /nfs/dbraw/zinc/26/29/55/1215262955.db2.gz IYIRCPUTUFNYBG-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618823 1215262957 /nfs/dbraw/zinc/26/29/57/1215262957.db2.gz IYIRCPUTUFNYBG-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)c1 ZINC000957767769 1215415200 /nfs/dbraw/zinc/41/52/00/1215415200.db2.gz JPRVDSMKWYTYTE-UHFFFAOYSA-N 2 2 340.471 2.078 20 30 EEEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917042 1221667700 /nfs/dbraw/zinc/66/77/00/1221667700.db2.gz MNCBNKLTPWKAMA-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917042 1221667701 /nfs/dbraw/zinc/66/77/01/1221667701.db2.gz MNCBNKLTPWKAMA-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969101207 1221809467 /nfs/dbraw/zinc/80/94/67/1221809467.db2.gz UMDUNJARKWBJJZ-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969101207 1221809469 /nfs/dbraw/zinc/80/94/69/1221809469.db2.gz UMDUNJARKWBJJZ-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001016699979 1226795084 /nfs/dbraw/zinc/79/50/84/1226795084.db2.gz MFQZALPZPRHZBQ-CRAIPNDOSA-N 2 2 342.487 2.370 20 30 EEEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001016699979 1226795089 /nfs/dbraw/zinc/79/50/89/1226795089.db2.gz MFQZALPZPRHZBQ-CRAIPNDOSA-N 2 2 342.487 2.370 20 30 EEEDLP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039142324 1230359640 /nfs/dbraw/zinc/35/96/40/1230359640.db2.gz QUQQZTDDGGMTSE-QGZVFWFLSA-N 2 2 336.439 2.142 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039142324 1230359645 /nfs/dbraw/zinc/35/96/45/1230359645.db2.gz QUQQZTDDGGMTSE-QGZVFWFLSA-N 2 2 336.439 2.142 20 30 EEEDLP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039164006 1230386024 /nfs/dbraw/zinc/38/60/24/1230386024.db2.gz GXIWGEHTZMYCCW-DLBZAZTESA-N 2 2 340.471 2.023 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039164006 1230386030 /nfs/dbraw/zinc/38/60/30/1230386030.db2.gz GXIWGEHTZMYCCW-DLBZAZTESA-N 2 2 340.471 2.023 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254474 1230490094 /nfs/dbraw/zinc/49/00/94/1230490094.db2.gz VPNARXVCZOPJFG-JKSUJKDBSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254474 1230490097 /nfs/dbraw/zinc/49/00/97/1230490097.db2.gz VPNARXVCZOPJFG-JKSUJKDBSA-N 2 2 336.867 2.339 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001039443523 1230612651 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ZINC001114306875 810800133 /nfs/dbraw/zinc/80/01/33/810800133.db2.gz VMKMLYCYJIQSGE-UJAMICLKSA-N 2 2 342.487 2.163 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001114306875 810800139 /nfs/dbraw/zinc/80/01/39/810800139.db2.gz VMKMLYCYJIQSGE-UJAMICLKSA-N 2 2 342.487 2.163 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001443147655 1097578391 /nfs/dbraw/zinc/57/83/91/1097578391.db2.gz XXVJDCMYSVDRLF-INIZCTEOSA-N 2 2 332.835 2.391 20 30 EEEDLP Cc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1C ZINC000104160699 237084730 /nfs/dbraw/zinc/08/47/30/237084730.db2.gz GQFALBVEOAMZGB-GOSISDBHSA-N 2 2 331.508 2.302 20 30 EEEDLP C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017836 218185852 /nfs/dbraw/zinc/18/58/52/218185852.db2.gz QOMWUQRKCWBTPW-SFHVURJKSA-N 2 2 328.456 2.243 20 30 EEEDLP C#CCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017836 218185854 /nfs/dbraw/zinc/18/58/54/218185854.db2.gz QOMWUQRKCWBTPW-SFHVURJKSA-N 2 2 328.456 2.243 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC000329095984 465232185 /nfs/dbraw/zinc/23/21/85/465232185.db2.gz LACBWNVRMYYEON-CJNGLKHVSA-N 2 2 325.372 2.293 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534864215 468279296 /nfs/dbraw/zinc/27/92/96/468279296.db2.gz ZHESWXTXPVZVHJ-SFHVURJKSA-N 2 2 329.448 2.012 20 30 EEEDLP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H](C)C#N ZINC000064249031 462690995 /nfs/dbraw/zinc/69/09/95/462690995.db2.gz YDHZOWFJVBRCDR-QGZVFWFLSA-N 2 2 342.487 2.380 20 30 EEEDLP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H](C)C#N ZINC000064249031 462690999 /nfs/dbraw/zinc/69/09/99/462690999.db2.gz YDHZOWFJVBRCDR-QGZVFWFLSA-N 2 2 342.487 2.380 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000119964624 462946454 /nfs/dbraw/zinc/94/64/54/462946454.db2.gz VRFVNFLHGFVJKO-UHFFFAOYSA-N 2 2 326.375 2.423 20 30 EEEDLP CCc1nc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000067099002 462964911 /nfs/dbraw/zinc/96/49/11/462964911.db2.gz OBXBKJRRBLCOSS-UHFFFAOYSA-N 2 2 343.431 2.455 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000170905676 463738726 /nfs/dbraw/zinc/73/87/26/463738726.db2.gz ZUVFIYRBLYLSNG-QGZVFWFLSA-N 2 2 326.444 2.402 20 30 EEEDLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311584 464037682 /nfs/dbraw/zinc/03/76/82/464037682.db2.gz OHUGNXCRCNZKQA-LPHOPBHVSA-N 2 2 340.471 2.001 20 30 EEEDLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311584 464037685 /nfs/dbraw/zinc/03/76/85/464037685.db2.gz OHUGNXCRCNZKQA-LPHOPBHVSA-N 2 2 340.471 2.001 20 30 EEEDLP Cc1nsc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1C#N ZINC000289487533 464081253 /nfs/dbraw/zinc/08/12/53/464081253.db2.gz OQJNOXJPWHCYLR-UHFFFAOYSA-N 2 2 330.461 2.040 20 30 EEEDLP COC(=O)c1ccccc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000272938160 464696191 /nfs/dbraw/zinc/69/61/91/464696191.db2.gz JRUYPNLXPSZMQU-UHFFFAOYSA-N 2 2 341.411 2.372 20 30 EEEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827489 464736744 /nfs/dbraw/zinc/73/67/44/464736744.db2.gz QPWIXMKAFCGCTN-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827489 464736751 /nfs/dbraw/zinc/73/67/51/464736751.db2.gz QPWIXMKAFCGCTN-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827489 464736756 /nfs/dbraw/zinc/73/67/56/464736756.db2.gz QPWIXMKAFCGCTN-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827489 464736761 /nfs/dbraw/zinc/73/67/61/464736761.db2.gz QPWIXMKAFCGCTN-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000331329610 466034020 /nfs/dbraw/zinc/03/40/20/466034020.db2.gz ODHZJAXSEODWNA-GDBMZVCRSA-N 2 2 334.464 2.329 20 30 EEEDLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1C[C@@H](C)O ZINC000331329610 466034029 /nfs/dbraw/zinc/03/40/29/466034029.db2.gz ODHZJAXSEODWNA-GDBMZVCRSA-N 2 2 334.464 2.329 20 30 EEEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000424126855 466984264 /nfs/dbraw/zinc/98/42/64/466984264.db2.gz CCEOFGSKTMBWJL-MRXNPFEDSA-N 2 2 329.448 2.099 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C#N)(CC)CC)CC2)CC1 ZINC000529496732 467871006 /nfs/dbraw/zinc/87/10/06/467871006.db2.gz DMDCMJIDYNGJGV-UHFFFAOYSA-N 2 2 334.508 2.335 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C#N)(CC)CC)CC2)CC1 ZINC000529496732 467871007 /nfs/dbraw/zinc/87/10/07/467871007.db2.gz DMDCMJIDYNGJGV-UHFFFAOYSA-N 2 2 334.508 2.335 20 30 EEEDLP C=C(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1ccc(F)c(F)c1 ZINC000566415791 468150570 /nfs/dbraw/zinc/15/05/70/468150570.db2.gz FRXCQRLHJOCZEB-PBHICJAKSA-N 2 2 328.403 2.111 20 30 EEEDLP C=C(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1ccc(F)c(F)c1 ZINC000566415791 468150574 /nfs/dbraw/zinc/15/05/74/468150574.db2.gz FRXCQRLHJOCZEB-PBHICJAKSA-N 2 2 328.403 2.111 20 30 EEEDLP C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664131082 471648523 /nfs/dbraw/zinc/64/85/23/471648523.db2.gz VZUFUFLEZWPEAU-MRXNPFEDSA-N 2 2 334.508 2.343 20 30 EEEDLP C=CCC1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664131082 471648528 /nfs/dbraw/zinc/64/85/28/471648528.db2.gz VZUFUFLEZWPEAU-MRXNPFEDSA-N 2 2 334.508 2.343 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCC)c2ccc(F)cc2F)CC1 ZINC000775542543 577439299 /nfs/dbraw/zinc/43/92/99/577439299.db2.gz MZJADUWUXAWALP-SFHVURJKSA-N 2 2 349.425 2.173 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021635210 676290223 /nfs/dbraw/zinc/29/02/23/676290223.db2.gz ITZXBCDPDRYOJB-IAGOWNOFSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021635210 676290224 /nfs/dbraw/zinc/29/02/24/676290224.db2.gz ITZXBCDPDRYOJB-IAGOWNOFSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447441 679313881 /nfs/dbraw/zinc/31/38/81/679313881.db2.gz NMHDZURYRFDNIU-CABCVRRESA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447441 679313882 /nfs/dbraw/zinc/31/38/82/679313882.db2.gz NMHDZURYRFDNIU-CABCVRRESA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023450915 679316237 /nfs/dbraw/zinc/31/62/37/679316237.db2.gz AUOGBQDCHTUKLH-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023450915 679316239 /nfs/dbraw/zinc/31/62/39/679316239.db2.gz AUOGBQDCHTUKLH-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023450915 679316242 /nfs/dbraw/zinc/31/62/42/679316242.db2.gz AUOGBQDCHTUKLH-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023450915 679316245 /nfs/dbraw/zinc/31/62/45/679316245.db2.gz AUOGBQDCHTUKLH-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000972636001 679472147 /nfs/dbraw/zinc/47/21/47/679472147.db2.gz WKBKPUUXBSYIGS-QUCCMNQESA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000972636001 679472148 /nfs/dbraw/zinc/47/21/48/679472148.db2.gz WKBKPUUXBSYIGS-QUCCMNQESA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972636001 679472151 /nfs/dbraw/zinc/47/21/51/679472151.db2.gz WKBKPUUXBSYIGS-QUCCMNQESA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972636001 679472153 /nfs/dbraw/zinc/47/21/53/679472153.db2.gz WKBKPUUXBSYIGS-QUCCMNQESA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000992705929 683284105 /nfs/dbraw/zinc/28/41/05/683284105.db2.gz CWEAQFYONNEIBL-CWRNSKLLSA-N 2 2 336.867 2.312 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992705929 683284111 /nfs/dbraw/zinc/28/41/11/683284111.db2.gz CWEAQFYONNEIBL-CWRNSKLLSA-N 2 2 336.867 2.312 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000983924996 683809553 /nfs/dbraw/zinc/80/95/53/683809553.db2.gz YKWSAKFGMPGZIT-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000983924996 683809559 /nfs/dbraw/zinc/80/95/59/683809559.db2.gz YKWSAKFGMPGZIT-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001029478381 685031680 /nfs/dbraw/zinc/03/16/80/685031680.db2.gz LVRJMECDRACKKZ-OTWHNJEPSA-N 2 2 340.471 2.074 20 30 EEEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001029478381 685031685 /nfs/dbraw/zinc/03/16/85/685031685.db2.gz LVRJMECDRACKKZ-OTWHNJEPSA-N 2 2 340.471 2.074 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988875730 691272718 /nfs/dbraw/zinc/27/27/18/691272718.db2.gz PBTGAKJBJBOVJU-UONOGXRCSA-N 2 2 336.867 2.093 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000989560996 692044618 /nfs/dbraw/zinc/04/46/18/692044618.db2.gz ZYCZSCSMOWDOOY-HZPDHXFCSA-N 2 2 326.444 2.340 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)Cc3ccc(C#N)cc3)ccn12 ZINC001266275432 1176078620 /nfs/dbraw/zinc/07/86/20/1176078620.db2.gz YSMIZWZKXZGLTB-UHFFFAOYSA-N 2 2 347.422 2.376 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)Cc3ccc(C#N)cc3)ccn12 ZINC001266275432 1176078630 /nfs/dbraw/zinc/07/86/30/1176078630.db2.gz YSMIZWZKXZGLTB-UHFFFAOYSA-N 2 2 347.422 2.376 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532644 1188152119 /nfs/dbraw/zinc/15/21/19/1188152119.db2.gz PZSYRBDIZACQRZ-MRXNPFEDSA-N 2 2 328.460 2.117 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001272479028 1190844200 /nfs/dbraw/zinc/84/42/00/1190844200.db2.gz TWLVRHSPXBUHBF-DLBZAZTESA-N 2 2 331.451 2.093 20 30 EEEDLP CCCCCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001272479028 1190844201 /nfs/dbraw/zinc/84/42/01/1190844201.db2.gz TWLVRHSPXBUHBF-DLBZAZTESA-N 2 2 331.451 2.093 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033551560 1194704407 /nfs/dbraw/zinc/70/44/07/1194704407.db2.gz NZHNEUYZASMFRK-INIZCTEOSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033551560 1194704411 /nfs/dbraw/zinc/70/44/11/1194704411.db2.gz NZHNEUYZASMFRK-INIZCTEOSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265756 1199504351 /nfs/dbraw/zinc/50/43/51/1199504351.db2.gz RYCRZHSHBIPXBR-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265756 1199504354 /nfs/dbraw/zinc/50/43/54/1199504354.db2.gz RYCRZHSHBIPXBR-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCSC(C)(C)C1 ZINC000126230323 1199811364 /nfs/dbraw/zinc/81/13/64/1199811364.db2.gz KAKDGSLXHCPORH-UHFFFAOYSA-N 2 2 335.521 2.165 20 30 EEEDLP N#Cc1cccc(CCC[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)c1 ZINC001274891241 1205201685 /nfs/dbraw/zinc/20/16/85/1205201685.db2.gz ZEYLNNGOBQARMR-UHFFFAOYSA-N 2 2 335.455 2.148 20 30 EEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275327079 1205309868 /nfs/dbraw/zinc/30/98/68/1205309868.db2.gz ICMZYWOQKKBAEP-AYHJJNSGSA-N 2 2 330.451 2.344 20 30 EEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275327079 1205309870 /nfs/dbraw/zinc/30/98/70/1205309870.db2.gz ICMZYWOQKKBAEP-AYHJJNSGSA-N 2 2 330.451 2.344 20 30 EEEDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1CC#N ZINC001276242168 1205850810 /nfs/dbraw/zinc/85/08/10/1205850810.db2.gz IELPRUFMTKMHDJ-IHWFROFDSA-N 2 2 343.471 2.458 20 30 EEEDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CC#N ZINC001276242168 1205850811 /nfs/dbraw/zinc/85/08/11/1205850811.db2.gz IELPRUFMTKMHDJ-IHWFROFDSA-N 2 2 343.471 2.458 20 30 EEEDLP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618583 1215262707 /nfs/dbraw/zinc/26/27/07/1215262707.db2.gz AXDYTFXYSJHCHB-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618583 1215262711 /nfs/dbraw/zinc/26/27/11/1215262711.db2.gz AXDYTFXYSJHCHB-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961392047 1217171881 /nfs/dbraw/zinc/17/18/81/1217171881.db2.gz MHZHHDCSHVOIRK-LJQANCHMSA-N 2 2 342.487 2.247 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961392047 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C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235847 1240342797 /nfs/dbraw/zinc/34/27/97/1240342797.db2.gz VKFDTUKUTSOLEV-FGTMMUONSA-N 2 2 347.890 2.432 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235847 1240342805 /nfs/dbraw/zinc/34/28/05/1240342805.db2.gz VKFDTUKUTSOLEV-FGTMMUONSA-N 2 2 347.890 2.432 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049558559 1241412123 /nfs/dbraw/zinc/41/21/23/1241412123.db2.gz PDWMXCNEAOFVMD-OAGGEKHMSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049558559 1241412131 /nfs/dbraw/zinc/41/21/31/1241412131.db2.gz PDWMXCNEAOFVMD-OAGGEKHMSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049558559 1241412136 /nfs/dbraw/zinc/41/21/36/1241412136.db2.gz PDWMXCNEAOFVMD-OAGGEKHMSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049558559 1241412144 /nfs/dbraw/zinc/41/21/44/1241412144.db2.gz PDWMXCNEAOFVMD-OAGGEKHMSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065672 1242763348 /nfs/dbraw/zinc/76/33/48/1242763348.db2.gz FVPQUNRDQKLRLA-HRCADAONSA-N 2 2 348.878 2.436 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065672 1242763358 /nfs/dbraw/zinc/76/33/58/1242763358.db2.gz FVPQUNRDQKLRLA-HRCADAONSA-N 2 2 348.878 2.436 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001050143090 1242971574 /nfs/dbraw/zinc/97/15/74/1242971574.db2.gz MSWPIXUUAGCFPW-DODZYUBVSA-N 2 2 342.487 2.413 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001050143090 1242971582 /nfs/dbraw/zinc/97/15/82/1242971582.db2.gz MSWPIXUUAGCFPW-DODZYUBVSA-N 2 2 342.487 2.413 20 30 EEEDLP C=CCC[NH+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC001050560818 1243848299 /nfs/dbraw/zinc/84/82/99/1243848299.db2.gz INYPKOWQQGFNDY-UHFFFAOYSA-N 2 2 330.476 2.427 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097248240 1243873581 /nfs/dbraw/zinc/87/35/81/1243873581.db2.gz UJHJYZJAHUCNCC-BDXSIMOUSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097248240 1243873588 /nfs/dbraw/zinc/87/35/88/1243873588.db2.gz UJHJYZJAHUCNCC-BDXSIMOUSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097248240 1243873596 /nfs/dbraw/zinc/87/35/96/1243873596.db2.gz UJHJYZJAHUCNCC-BDXSIMOUSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097248240 1243873603 /nfs/dbraw/zinc/87/36/03/1243873603.db2.gz UJHJYZJAHUCNCC-BDXSIMOUSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC001097247675 1243876462 /nfs/dbraw/zinc/87/64/62/1243876462.db2.gz GTDHXPPCDVJLRD-ZRNYENFQSA-N 2 2 337.467 2.006 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001097247675 1243876477 /nfs/dbraw/zinc/87/64/77/1243876477.db2.gz GTDHXPPCDVJLRD-ZRNYENFQSA-N 2 2 337.467 2.006 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1 ZINC001097247675 1243876498 /nfs/dbraw/zinc/87/64/98/1243876498.db2.gz GTDHXPPCDVJLRD-ZRNYENFQSA-N 2 2 337.467 2.006 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1 ZINC001097247675 1243876511 /nfs/dbraw/zinc/87/65/11/1243876511.db2.gz GTDHXPPCDVJLRD-ZRNYENFQSA-N 2 2 337.467 2.006 20 30 EEEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001051149682 1245050440 /nfs/dbraw/zinc/05/04/40/1245050440.db2.gz IUGHZMJAXTUZOJ-QZTJIDSGSA-N 2 2 337.508 2.033 20 30 EEEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001051149682 1245050449 /nfs/dbraw/zinc/05/04/49/1245050449.db2.gz IUGHZMJAXTUZOJ-QZTJIDSGSA-N 2 2 337.508 2.033 20 30 EEEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001051149682 1245050452 /nfs/dbraw/zinc/05/04/52/1245050452.db2.gz IUGHZMJAXTUZOJ-QZTJIDSGSA-N 2 2 337.508 2.033 20 30 EEEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001051149682 1245050460 /nfs/dbraw/zinc/05/04/60/1245050460.db2.gz IUGHZMJAXTUZOJ-QZTJIDSGSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001053051615 1245775015 /nfs/dbraw/zinc/77/50/15/1245775015.db2.gz OEJJPTDEQJFDPX-MSOLQXFVSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001053051615 1245775022 /nfs/dbraw/zinc/77/50/22/1245775022.db2.gz OEJJPTDEQJFDPX-MSOLQXFVSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001054154817 1247547494 /nfs/dbraw/zinc/54/74/94/1247547494.db2.gz HLCYKDXCCTXTLO-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001054154817 1247547498 /nfs/dbraw/zinc/54/74/98/1247547498.db2.gz HLCYKDXCCTXTLO-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200101 1247698594 /nfs/dbraw/zinc/69/85/94/1247698594.db2.gz QIGGPGVTUXJERV-MDZRGWNJSA-N 2 2 328.460 2.024 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200101 1247698601 /nfs/dbraw/zinc/69/86/01/1247698601.db2.gz QIGGPGVTUXJERV-MDZRGWNJSA-N 2 2 328.460 2.024 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205711 1247713657 /nfs/dbraw/zinc/71/36/57/1247713657.db2.gz WABZBPDQVQWIQX-PKOBYXMFSA-N 2 2 328.460 2.172 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205711 1247713665 /nfs/dbraw/zinc/71/36/65/1247713665.db2.gz WABZBPDQVQWIQX-PKOBYXMFSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251008 1258036841 /nfs/dbraw/zinc/03/68/41/1258036841.db2.gz FKFOGMVQHLGZTK-SJORKVTESA-N 2 2 330.476 2.464 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251008 1258036853 /nfs/dbraw/zinc/03/68/53/1258036853.db2.gz FKFOGMVQHLGZTK-SJORKVTESA-N 2 2 330.476 2.464 20 30 EEEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110718040 1293719954 /nfs/dbraw/zinc/71/99/54/1293719954.db2.gz VVYGXGQEABCJCC-KYJSFNMBSA-N 2 2 340.427 2.101 20 30 EEEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110718040 1293719957 /nfs/dbraw/zinc/71/99/57/1293719957.db2.gz VVYGXGQEABCJCC-KYJSFNMBSA-N 2 2 340.427 2.101 20 30 EEEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219270326 1297969095 /nfs/dbraw/zinc/96/90/95/1297969095.db2.gz FITORTCFYGPRNW-KRWDZBQOSA-N 2 2 331.379 2.457 20 30 EEEDLP C[N@H+](CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1)CC(C)(C)C ZINC001230606241 1303312455 /nfs/dbraw/zinc/31/24/55/1303312455.db2.gz UZUFXCNIQFAYOI-KRWDZBQOSA-N 2 2 334.508 2.191 20 30 EEEDLP C[N@@H+](CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1)CC(C)(C)C ZINC001230606241 1303312457 /nfs/dbraw/zinc/31/24/57/1303312457.db2.gz UZUFXCNIQFAYOI-KRWDZBQOSA-N 2 2 334.508 2.191 20 30 EEEDLP C[NH+](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)CC(C)(C)C ZINC001230606241 1303312458 /nfs/dbraw/zinc/31/24/58/1303312458.db2.gz UZUFXCNIQFAYOI-KRWDZBQOSA-N 2 2 334.508 2.191 20 30 EEEDLP C[NH+](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)CC(C)(C)C ZINC001230606241 1303312459 /nfs/dbraw/zinc/31/24/59/1303312459.db2.gz UZUFXCNIQFAYOI-KRWDZBQOSA-N 2 2 334.508 2.191 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]3C2)cn1 ZINC001232842980 1304267647 /nfs/dbraw/zinc/26/76/47/1304267647.db2.gz HJYCVQXRDLGSBQ-HZPDHXFCSA-N 2 2 341.484 2.307 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]3C2)cn1 ZINC001232842980 1304267650 /nfs/dbraw/zinc/26/76/50/1304267650.db2.gz HJYCVQXRDLGSBQ-HZPDHXFCSA-N 2 2 341.484 2.307 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]3C2)cn1 ZINC001232842980 1304267653 /nfs/dbraw/zinc/26/76/53/1304267653.db2.gz HJYCVQXRDLGSBQ-HZPDHXFCSA-N 2 2 341.484 2.307 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]3C2)cn1 ZINC001232842980 1304267658 /nfs/dbraw/zinc/26/76/58/1304267658.db2.gz HJYCVQXRDLGSBQ-HZPDHXFCSA-N 2 2 341.484 2.307 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115104458 1304684127 /nfs/dbraw/zinc/68/41/27/1304684127.db2.gz VQWSCOFBWDLVDL-VUHPKUFZSA-N 2 2 347.890 2.262 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115104458 1304684134 /nfs/dbraw/zinc/68/41/34/1304684134.db2.gz VQWSCOFBWDLVDL-VUHPKUFZSA-N 2 2 347.890 2.262 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CCCCC1 ZINC001115650020 1305563552 /nfs/dbraw/zinc/56/35/52/1305563552.db2.gz IVGCGBHNWCZCDL-GOSISDBHSA-N 2 2 349.519 2.082 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CCCCC1 ZINC001115650020 1305563559 /nfs/dbraw/zinc/56/35/59/1305563559.db2.gz IVGCGBHNWCZCDL-GOSISDBHSA-N 2 2 349.519 2.082 20 30 EEEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CCCCC1 ZINC001120214234 1309388562 /nfs/dbraw/zinc/38/85/62/1309388562.db2.gz QZZRJJUHYJKNPF-GOSISDBHSA-N 2 2 342.487 2.116 20 30 EEEDLP Cc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@H]2CCN[C@H](C#N)C2)c(F)c1 ZINC001246959588 1310479541 /nfs/dbraw/zinc/47/95/41/1310479541.db2.gz WNXVLVRODPRDAI-WMZOPIPTSA-N 2 2 330.451 2.332 20 30 EEEDLP Cc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCN[C@H](C#N)C2)c(F)c1 ZINC001246959588 1310479549 /nfs/dbraw/zinc/47/95/49/1310479549.db2.gz WNXVLVRODPRDAI-WMZOPIPTSA-N 2 2 330.451 2.332 20 30 EEEDLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)c[nH+]1 ZINC001160820917 1320280080 /nfs/dbraw/zinc/28/00/80/1320280080.db2.gz ZIGQIKGDHJOMPQ-UHFFFAOYSA-N 2 2 345.472 2.156 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001160990080 1320345009 /nfs/dbraw/zinc/34/50/09/1320345009.db2.gz DAJVAWGPQHFDSB-UHFFFAOYSA-N 2 2 333.395 2.344 20 30 EEEDLP N#CCc1cc[nH+]c(NCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001161059731 1320371502 /nfs/dbraw/zinc/37/15/02/1320371502.db2.gz XVXJXHBNOBLIGX-UHFFFAOYSA-N 2 2 341.459 2.036 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001161554725 1320537270 /nfs/dbraw/zinc/53/72/70/1320537270.db2.gz QRCYRCJFARBRKS-UHFFFAOYSA-N 2 2 349.438 2.162 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001161554725 1320537274 /nfs/dbraw/zinc/53/72/74/1320537274.db2.gz QRCYRCJFARBRKS-UHFFFAOYSA-N 2 2 349.438 2.162 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)(COC)CC1 ZINC001162590227 1320906745 /nfs/dbraw/zinc/90/67/45/1320906745.db2.gz JXQRSEYRNKMOJB-UHFFFAOYSA-N 2 2 348.491 2.072 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819453 1321591752 /nfs/dbraw/zinc/59/17/52/1321591752.db2.gz SQXMWJKXJROLHY-CQSZACIVSA-N 2 2 336.867 2.074 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208922201 1324720061 /nfs/dbraw/zinc/72/00/61/1324720061.db2.gz DGHPFGSRGLGDDJ-RTWAWAEBSA-N 2 2 349.482 2.288 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208922201 1324720066 /nfs/dbraw/zinc/72/00/66/1324720066.db2.gz DGHPFGSRGLGDDJ-RTWAWAEBSA-N 2 2 349.482 2.288 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208922201 1324720068 /nfs/dbraw/zinc/72/00/68/1324720068.db2.gz DGHPFGSRGLGDDJ-RTWAWAEBSA-N 2 2 349.482 2.288 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208922201 1324720072 /nfs/dbraw/zinc/72/00/72/1324720072.db2.gz DGHPFGSRGLGDDJ-RTWAWAEBSA-N 2 2 349.482 2.288 20 30 EEEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001210115169 1325164523 /nfs/dbraw/zinc/16/45/23/1325164523.db2.gz AMZQDAUBQURQJH-INIZCTEOSA-N 2 2 326.444 2.342 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001210437822 1325284363 /nfs/dbraw/zinc/28/43/63/1325284363.db2.gz NAWGVGYJMPVMEM-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCOC3(C)C)cc2F)CC1 ZINC001328092300 1334394527 /nfs/dbraw/zinc/39/45/27/1334394527.db2.gz YPXTZLUNWQKNDT-QGZVFWFLSA-N 2 2 334.439 2.069 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286476 1368295172 /nfs/dbraw/zinc/29/51/72/1368295172.db2.gz TWWCPSZGECTCOY-OKZBNKHCSA-N 2 2 328.460 2.026 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286476 1368295176 /nfs/dbraw/zinc/29/51/76/1368295176.db2.gz TWWCPSZGECTCOY-OKZBNKHCSA-N 2 2 328.460 2.026 20 30 EEEDLP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N)[NH+](C)C 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GPKNURPLUCISRY-ZNMIVQPWSA-N 2 2 336.867 2.230 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532004 775674470 /nfs/dbraw/zinc/67/44/70/775674470.db2.gz BXINHQXJUUIYKJ-XLSPSMHOSA-N 2 2 342.487 2.318 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981354678 777240813 /nfs/dbraw/zinc/24/08/13/777240813.db2.gz RUDKMGGUSLQOAQ-IAGOWNOFSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981436367 777397945 /nfs/dbraw/zinc/39/79/45/777397945.db2.gz IUIRWYYVMWFJCI-JKSUJKDBSA-N 2 2 339.443 2.474 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937363 779235153 /nfs/dbraw/zinc/23/51/53/779235153.db2.gz WHHSPTNIKUVKNB-BRWVUGGUSA-N 2 2 332.492 2.392 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443333 780287030 /nfs/dbraw/zinc/28/70/30/780287030.db2.gz HPHHBGFHTRIMBV-WOJBJXKFSA-N 2 2 339.483 2.080 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001088317900 783490072 /nfs/dbraw/zinc/49/00/72/783490072.db2.gz QWWXKQTZTCBCRG-MRXNPFEDSA-N 2 2 330.476 2.309 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086735939 783827816 /nfs/dbraw/zinc/82/78/16/783827816.db2.gz UNOQUVNIBKYULR-SOUVJXGZSA-N 2 2 336.867 2.073 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CC2 ZINC001035200472 784040363 /nfs/dbraw/zinc/04/03/63/784040363.db2.gz BIBBPHRFQBYNBW-MRXNPFEDSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CC2 ZINC001035200472 784040370 /nfs/dbraw/zinc/04/03/70/784040370.db2.gz BIBBPHRFQBYNBW-MRXNPFEDSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CC2 ZINC001035200472 784040375 /nfs/dbraw/zinc/04/03/75/784040375.db2.gz BIBBPHRFQBYNBW-MRXNPFEDSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CC2 ZINC001035200472 784040384 /nfs/dbraw/zinc/04/03/84/784040384.db2.gz BIBBPHRFQBYNBW-MRXNPFEDSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035209546 784123741 /nfs/dbraw/zinc/12/37/41/784123741.db2.gz LYUOOGDSJCJQEX-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035209546 784123743 /nfs/dbraw/zinc/12/37/43/784123743.db2.gz LYUOOGDSJCJQEX-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](c1cccnc1)[NH+](C)C)CC2 ZINC001035258058 784209675 /nfs/dbraw/zinc/20/96/75/784209675.db2.gz LDWBRDHQBXPFGE-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](c1cccnc1)[NH+](C)C)CC2 ZINC001035258058 784209684 /nfs/dbraw/zinc/20/96/84/784209684.db2.gz LDWBRDHQBXPFGE-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995970889 785901771 /nfs/dbraw/zinc/90/17/71/785901771.db2.gz HRMUOUGYWXYDCW-HIFRSBDPSA-N 2 2 336.867 2.025 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991469369 789008863 /nfs/dbraw/zinc/00/88/63/789008863.db2.gz GCXXKFUPBMISKN-HHXXYDBFSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991469369 789008875 /nfs/dbraw/zinc/00/88/75/789008875.db2.gz GCXXKFUPBMISKN-HHXXYDBFSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991469384 789009351 /nfs/dbraw/zinc/00/93/51/789009351.db2.gz GDJBIICJDSNALV-TXPKVOOTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991469384 789009360 /nfs/dbraw/zinc/00/93/60/789009360.db2.gz GDJBIICJDSNALV-TXPKVOOTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000997175493 789338122 /nfs/dbraw/zinc/33/81/22/789338122.db2.gz VCTJGOUMBOIWMQ-UHFFFAOYSA-N 2 2 345.834 2.214 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000923575950 789801422 /nfs/dbraw/zinc/80/14/22/789801422.db2.gz OHMGMRNMIJUIOE-HNNXBMFYSA-N 2 2 339.439 2.322 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000923575950 789801428 /nfs/dbraw/zinc/80/14/28/789801428.db2.gz OHMGMRNMIJUIOE-HNNXBMFYSA-N 2 2 339.439 2.322 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998308158 792538519 /nfs/dbraw/zinc/53/85/19/792538519.db2.gz YIYMRLNTLQLTTF-OCCSQVGLSA-N 2 2 344.381 2.206 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086947896 793050124 /nfs/dbraw/zinc/05/01/24/793050124.db2.gz KCIPLZFQKVEJEL-DLBZAZTESA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086947896 793050131 /nfs/dbraw/zinc/05/01/31/793050131.db2.gz KCIPLZFQKVEJEL-DLBZAZTESA-N 2 2 342.487 2.315 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000999410788 794426824 /nfs/dbraw/zinc/42/68/24/794426824.db2.gz HKRFUSWVDPSUAU-KZNAEPCWSA-N 2 2 349.438 2.166 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000999410788 794426831 /nfs/dbraw/zinc/42/68/31/794426831.db2.gz HKRFUSWVDPSUAU-KZNAEPCWSA-N 2 2 349.438 2.166 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001079305292 794595489 /nfs/dbraw/zinc/59/54/89/794595489.db2.gz VSLVTTIPIWSOBM-FUHWJXTLSA-N 2 2 342.418 2.183 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001036720686 794624057 /nfs/dbraw/zinc/62/40/57/794624057.db2.gz YVZXPGCQCQOSRN-WMZOPIPTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001036720686 794624063 /nfs/dbraw/zinc/62/40/63/794624063.db2.gz YVZXPGCQCQOSRN-WMZOPIPTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079697918 795116816 /nfs/dbraw/zinc/11/68/16/795116816.db2.gz BCVKGEHOYUCKTL-UKRRQHHQSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079697918 795116820 /nfs/dbraw/zinc/11/68/20/795116820.db2.gz BCVKGEHOYUCKTL-UKRRQHHQSA-N 2 2 327.900 2.440 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605053 796656571 /nfs/dbraw/zinc/65/65/71/796656571.db2.gz MHFNDLOFKSTXQS-GOEBONIOSA-N 2 2 330.476 2.111 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605053 796656574 /nfs/dbraw/zinc/65/65/74/796656574.db2.gz MHFNDLOFKSTXQS-GOEBONIOSA-N 2 2 330.476 2.111 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C12CCC2 ZINC001078745724 796953237 /nfs/dbraw/zinc/95/32/37/796953237.db2.gz BOCRSGASKAYAMD-DLBZAZTESA-N 2 2 338.455 2.388 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C12CCC2 ZINC001078771372 796964231 /nfs/dbraw/zinc/96/42/31/796964231.db2.gz SXQUCQLXIMIVLH-IAGOWNOFSA-N 2 2 337.427 2.084 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994163923 797345149 /nfs/dbraw/zinc/34/51/49/797345149.db2.gz VWELXGIHKKNPFC-GOEBONIOSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994163923 797345152 /nfs/dbraw/zinc/34/51/52/797345152.db2.gz VWELXGIHKKNPFC-GOEBONIOSA-N 2 2 325.416 2.036 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175478283 798117891 /nfs/dbraw/zinc/11/78/91/798117891.db2.gz JOGITHGYYUAIBQ-CYBMUJFWSA-N 2 2 345.472 2.350 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3=CCCCC3)C[C@H]21 ZINC001084417700 798184851 /nfs/dbraw/zinc/18/48/51/798184851.db2.gz ANPGCGHBZTYINM-HSALFYBXSA-N 2 2 341.499 2.117 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3=CCCCC3)C[C@H]21 ZINC001084417700 798184855 /nfs/dbraw/zinc/18/48/55/798184855.db2.gz ANPGCGHBZTYINM-HSALFYBXSA-N 2 2 341.499 2.117 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001084417700 798184858 /nfs/dbraw/zinc/18/48/58/798184858.db2.gz ANPGCGHBZTYINM-HSALFYBXSA-N 2 2 341.499 2.117 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001084417700 798184860 /nfs/dbraw/zinc/18/48/60/798184860.db2.gz ANPGCGHBZTYINM-HSALFYBXSA-N 2 2 341.499 2.117 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403054 798198746 /nfs/dbraw/zinc/19/87/46/798198746.db2.gz CWCUHGRHTDOHMT-IXDOHACOSA-N 2 2 339.911 2.250 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403054 798198750 /nfs/dbraw/zinc/19/87/50/798198750.db2.gz CWCUHGRHTDOHMT-IXDOHACOSA-N 2 2 339.911 2.250 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403054 798198754 /nfs/dbraw/zinc/19/87/54/798198754.db2.gz CWCUHGRHTDOHMT-IXDOHACOSA-N 2 2 339.911 2.250 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403054 798198759 /nfs/dbraw/zinc/19/87/59/798198759.db2.gz CWCUHGRHTDOHMT-IXDOHACOSA-N 2 2 339.911 2.250 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178535355 799512520 /nfs/dbraw/zinc/51/25/20/799512520.db2.gz IDHFQPJJDADLGY-UHFFFAOYSA-N 2 2 330.476 2.051 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178864600 799659590 /nfs/dbraw/zinc/65/95/90/799659590.db2.gz KMDMHGPWYJNFPT-OAHLLOKOSA-N 2 2 338.883 2.464 20 30 EEEDLP C=C(Br)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180469626 800443592 /nfs/dbraw/zinc/44/35/92/800443592.db2.gz BIYZOUHDZIJKOP-UHFFFAOYSA-N 2 2 343.269 2.058 20 30 EEEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181947649 800970053 /nfs/dbraw/zinc/97/00/53/800970053.db2.gz SLSURMBILHYTMK-MBOZVWFJSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497789 802229109 /nfs/dbraw/zinc/22/91/09/802229109.db2.gz KXDRDHAZFDNZDE-QGZVFWFLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497789 802229112 /nfs/dbraw/zinc/22/91/12/802229112.db2.gz KXDRDHAZFDNZDE-QGZVFWFLSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577518 802402486 /nfs/dbraw/zinc/40/24/86/802402486.db2.gz GWUIFWLLERUZMS-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577518 802402488 /nfs/dbraw/zinc/40/24/88/802402488.db2.gz GWUIFWLLERUZMS-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577518 802402489 /nfs/dbraw/zinc/40/24/89/802402489.db2.gz GWUIFWLLERUZMS-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577518 802402493 /nfs/dbraw/zinc/40/24/93/802402493.db2.gz GWUIFWLLERUZMS-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001128553654 802983230 /nfs/dbraw/zinc/98/32/30/802983230.db2.gz XTNNRKFIIQGMSA-UHFFFAOYSA-N 2 2 342.468 2.201 20 30 EEEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001108731468 804415732 /nfs/dbraw/zinc/41/57/32/804415732.db2.gz SFEFPNAEKSQTFI-ULQDDVLXSA-N 2 2 330.476 2.288 20 30 EEEDLP C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001437525521 1089951033 /nfs/dbraw/zinc/95/10/33/1089951033.db2.gz LFQCQIZUVJATHC-HNNXBMFYSA-N 2 2 348.516 2.432 20 30 EEEDLP C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001437525521 1089951044 /nfs/dbraw/zinc/95/10/44/1089951044.db2.gz LFQCQIZUVJATHC-HNNXBMFYSA-N 2 2 348.516 2.432 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602267 781922037 /nfs/dbraw/zinc/92/20/37/781922037.db2.gz HVGXJSNPTDJZCA-ZNMIVQPWSA-N 2 2 336.867 2.482 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602267 781922049 /nfs/dbraw/zinc/92/20/49/781922049.db2.gz HVGXJSNPTDJZCA-ZNMIVQPWSA-N 2 2 336.867 2.482 20 30 EEEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000104178579 237083649 /nfs/dbraw/zinc/08/36/49/237083649.db2.gz KCUYGJNXLDXXTA-GOSISDBHSA-N 2 2 348.516 2.238 20 30 EEEDLP C#C[C@H](CCC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491566425 533309924 /nfs/dbraw/zinc/30/99/24/533309924.db2.gz GEUJJOJWNKZSCY-QGZVFWFLSA-N 2 2 334.508 2.038 20 30 EEEDLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C#N)o2)c2cccs2)CC1 ZINC000540481151 318074568 /nfs/dbraw/zinc/07/45/68/318074568.db2.gz LHGXRDULQUCCGW-INIZCTEOSA-N 2 2 330.457 2.291 20 30 EEEDLP C[N@H+](CCC[NH2+]Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000566809830 319323642 /nfs/dbraw/zinc/32/36/42/319323642.db2.gz CECWXGKXRNUDLA-UHFFFAOYSA-N 2 2 326.448 2.345 20 30 EEEDLP C[N@@H+](CCC[NH2+]Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000566809830 319323643 /nfs/dbraw/zinc/32/36/43/319323643.db2.gz CECWXGKXRNUDLA-UHFFFAOYSA-N 2 2 326.448 2.345 20 30 EEEDLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000536068376 468341063 /nfs/dbraw/zinc/34/10/63/468341063.db2.gz BAUWYGDTBUGZRL-CYBMUJFWSA-N 2 2 343.456 2.398 20 30 EEEDLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000536068376 468341069 /nfs/dbraw/zinc/34/10/69/468341069.db2.gz BAUWYGDTBUGZRL-CYBMUJFWSA-N 2 2 343.456 2.398 20 30 EEEDLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000080973444 463376834 /nfs/dbraw/zinc/37/68/34/463376834.db2.gz KHRDMJJFHWOFMK-OAHLLOKOSA-N 2 2 329.448 2.274 20 30 EEEDLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000080973444 463376839 /nfs/dbraw/zinc/37/68/39/463376839.db2.gz KHRDMJJFHWOFMK-OAHLLOKOSA-N 2 2 329.448 2.274 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229650 463397767 /nfs/dbraw/zinc/39/77/67/463397767.db2.gz JIFBFPOMZGSGLX-ZWKOTPCHSA-N 2 2 334.508 2.335 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229650 463397769 /nfs/dbraw/zinc/39/77/69/463397769.db2.gz JIFBFPOMZGSGLX-ZWKOTPCHSA-N 2 2 334.508 2.335 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397141 463913788 /nfs/dbraw/zinc/91/37/88/463913788.db2.gz ZGDHVHQUAPTVJN-AEFFLSMTSA-N 2 2 326.444 2.080 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397141 463913793 /nfs/dbraw/zinc/91/37/93/463913793.db2.gz ZGDHVHQUAPTVJN-AEFFLSMTSA-N 2 2 326.444 2.080 20 30 EEEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278786667 463986664 /nfs/dbraw/zinc/98/66/64/463986664.db2.gz ZYRXQCVPVKMYIC-UHFFFAOYSA-N 2 2 329.444 2.434 20 30 EEEDLP CS[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271850029 464394231 /nfs/dbraw/zinc/39/42/31/464394231.db2.gz IMRBYGUCYMYDFK-KSSFIOAISA-N 2 2 333.501 2.225 20 30 EEEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000271918473 464413345 /nfs/dbraw/zinc/41/33/45/464413345.db2.gz ZMUGIJJYNAWXFD-MRXNPFEDSA-N 2 2 341.377 2.426 20 30 EEEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203544 464736866 /nfs/dbraw/zinc/73/68/66/464736866.db2.gz LNIHODBJPBMHBR-MSOLQXFVSA-N 3 2 327.476 2.266 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000330137548 465545001 /nfs/dbraw/zinc/54/50/01/465545001.db2.gz UYQGIOBKOUBJIM-ZBFHGGJFSA-N 2 2 331.464 2.050 20 30 EEEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000330137548 465545008 /nfs/dbraw/zinc/54/50/08/465545008.db2.gz UYQGIOBKOUBJIM-ZBFHGGJFSA-N 2 2 331.464 2.050 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000374714395 466722537 /nfs/dbraw/zinc/72/25/37/466722537.db2.gz HAZSJIPSSVYKEC-RDJZCZTQSA-N 2 2 328.522 2.220 20 30 EEEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000424138955 466987840 /nfs/dbraw/zinc/98/78/40/466987840.db2.gz QVIMLJBYTGWHFQ-MRXNPFEDSA-N 2 2 334.851 2.005 20 30 EEEDLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)C#N ZINC000433315868 467317817 /nfs/dbraw/zinc/31/78/17/467317817.db2.gz ZJFZPVGYZHPPMV-AEFFLSMTSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433315868 467317819 /nfs/dbraw/zinc/31/78/19/467317819.db2.gz ZJFZPVGYZHPPMV-AEFFLSMTSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)C#N ZINC000433315868 467317820 /nfs/dbraw/zinc/31/78/20/467317820.db2.gz ZJFZPVGYZHPPMV-AEFFLSMTSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)C#N ZINC000433315868 467317822 /nfs/dbraw/zinc/31/78/22/467317822.db2.gz ZJFZPVGYZHPPMV-AEFFLSMTSA-N 2 2 342.487 2.247 20 30 EEEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000570413939 468637143 /nfs/dbraw/zinc/63/71/43/468637143.db2.gz HVAYJZZOJQXMHQ-UHFFFAOYSA-N 2 2 331.383 2.049 20 30 EEEDLP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)CCCN1C ZINC000598615828 468933894 /nfs/dbraw/zinc/93/38/94/468933894.db2.gz GQBRXIOTUYREFV-XYJFISCASA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CCCN1C ZINC000598615828 468933896 /nfs/dbraw/zinc/93/38/96/468933896.db2.gz GQBRXIOTUYREFV-XYJFISCASA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)CCC[NH+]1C ZINC000598615828 468933900 /nfs/dbraw/zinc/93/39/00/468933900.db2.gz GQBRXIOTUYREFV-XYJFISCASA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CCC[NH+]1C ZINC000598615828 468933904 /nfs/dbraw/zinc/93/39/04/468933904.db2.gz GQBRXIOTUYREFV-XYJFISCASA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)CCC[N@@H+]1C ZINC000598615828 468933907 /nfs/dbraw/zinc/93/39/07/468933907.db2.gz GQBRXIOTUYREFV-XYJFISCASA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)CCC[N@H+]1C ZINC000598615828 468933909 /nfs/dbraw/zinc/93/39/09/468933909.db2.gz GQBRXIOTUYREFV-XYJFISCASA-N 2 2 347.507 2.036 20 30 EEEDLP N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000611551807 469277701 /nfs/dbraw/zinc/27/77/01/469277701.db2.gz UTESJFRNDWLUGY-GOSISDBHSA-N 2 2 327.407 2.295 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNc1nc(N2CCOCC2)cc[nH+]1)C(C)C ZINC000125435643 490647721 /nfs/dbraw/zinc/64/77/21/490647721.db2.gz KLUIRAMBYXZWEE-KRWDZBQOSA-N 2 2 345.491 2.424 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000765791056 577507239 /nfs/dbraw/zinc/50/72/39/577507239.db2.gz FATOCMAFDWUHCG-WBVHZDCISA-N 2 2 331.485 2.051 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000765791056 577507240 /nfs/dbraw/zinc/50/72/40/577507240.db2.gz FATOCMAFDWUHCG-WBVHZDCISA-N 2 2 331.485 2.051 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)[C@H]2CCc3ccccc32)CC1 ZINC000748816691 577967463 /nfs/dbraw/zinc/96/74/63/577967463.db2.gz VJZKIZMVFBHSCI-FQEVSTJZSA-N 2 2 339.483 2.163 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)[C@H]2CCc3ccccc32)CC1 ZINC000748816691 577967464 /nfs/dbraw/zinc/96/74/64/577967464.db2.gz VJZKIZMVFBHSCI-FQEVSTJZSA-N 2 2 339.483 2.163 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC001020571757 675170095 /nfs/dbraw/zinc/17/00/95/675170095.db2.gz UTROBPSNRJZPLI-ULQDDVLXSA-N 2 2 349.438 2.138 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021635213 676290256 /nfs/dbraw/zinc/29/02/56/676290256.db2.gz ITZXBCDPDRYOJB-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021635213 676290257 /nfs/dbraw/zinc/29/02/57/676290257.db2.gz ITZXBCDPDRYOJB-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339139 678568553 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WFHMBYHSQQNZAM-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024366920 679883966 /nfs/dbraw/zinc/88/39/66/679883966.db2.gz WFHMBYHSQQNZAM-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024366920 679883967 /nfs/dbraw/zinc/88/39/67/679883967.db2.gz WFHMBYHSQQNZAM-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccccc1C#N ZINC000255904180 681962803 /nfs/dbraw/zinc/96/28/03/681962803.db2.gz MRZHIIRQZDGNIC-HJWRWDBZSA-N 2 2 340.471 2.056 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccccc1C#N ZINC000255904180 681962807 /nfs/dbraw/zinc/96/28/07/681962807.db2.gz MRZHIIRQZDGNIC-HJWRWDBZSA-N 2 2 340.471 2.056 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251591 682331402 /nfs/dbraw/zinc/33/14/02/682331402.db2.gz JNSFMQNAIVGDAY-SJORKVTESA-N 2 2 330.476 2.384 20 30 EEEDLP 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CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001041516896 1231576453 /nfs/dbraw/zinc/57/64/53/1231576453.db2.gz FPKZXKZOEBYMGS-OAQYLSRUSA-N 2 2 348.450 2.434 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001044774731 1233256027 /nfs/dbraw/zinc/25/60/27/1233256027.db2.gz HNUKHVIFSURFDR-HZPDHXFCSA-N 2 2 326.444 2.340 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045460877 1233757720 /nfs/dbraw/zinc/75/77/20/1233757720.db2.gz LCJXIIHNXZJOFY-CQSZACIVSA-N 2 2 336.867 2.484 20 30 EEEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953179 1234220735 /nfs/dbraw/zinc/22/07/35/1234220735.db2.gz UJFNXSFXNWFHDG-FQEVSTJZSA-N 2 2 336.439 2.286 20 30 EEEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953179 1234220737 /nfs/dbraw/zinc/22/07/37/1234220737.db2.gz UJFNXSFXNWFHDG-FQEVSTJZSA-N 2 2 336.439 2.286 20 30 EEEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046741025 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GHDDHCKBPZZIRD-KZNAEPCWSA-N 2 2 342.487 2.004 20 30 EEEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001153413536 1316824876 /nfs/dbraw/zinc/82/48/76/1316824876.db2.gz GHDDHCKBPZZIRD-KZNAEPCWSA-N 2 2 342.487 2.004 20 30 EEEDLP C=CCC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001252615313 1317646873 /nfs/dbraw/zinc/64/68/73/1317646873.db2.gz YODILRFGXOCLEG-IBGZPJMESA-N 2 2 347.503 2.124 20 30 EEEDLP C=CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC001258137559 1319186599 /nfs/dbraw/zinc/18/65/99/1319186599.db2.gz HLXOQUDKSPRNHH-HXUWFJFHSA-N 2 2 341.499 2.460 20 30 EEEDLP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2[nH+]cc3ccccn32)cc1C#N ZINC001279418043 1323902057 /nfs/dbraw/zinc/90/20/57/1323902057.db2.gz FJAGGFMXGKZSMV-KDURUIRLSA-N 2 2 346.438 2.003 20 30 EEEDLP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2[nH+]cc3ccccn32)cc1C#N ZINC001279418043 1323902062 /nfs/dbraw/zinc/90/20/62/1323902062.db2.gz FJAGGFMXGKZSMV-KDURUIRLSA-N 2 2 346.438 2.003 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440241 1338376089 /nfs/dbraw/zinc/37/60/89/1338376089.db2.gz OUGNBXKIUOAOQO-UQPPLGOBSA-N 2 2 331.460 2.472 20 30 EEEDLP CC(C)OCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001647557892 1353325109 /nfs/dbraw/zinc/32/51/09/1353325109.db2.gz KAFCDLPBJXHLPZ-HXUWFJFHSA-N 2 2 345.487 2.288 20 30 EEEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001073603999 1370893247 /nfs/dbraw/zinc/89/32/47/1370893247.db2.gz UEEUEKUGOIEEAX-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001073603999 1370893251 /nfs/dbraw/zinc/89/32/51/1370893251.db2.gz UEEUEKUGOIEEAX-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP CN(CCC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001368545019 1374429834 /nfs/dbraw/zinc/42/98/34/1374429834.db2.gz HPHGAJWZAUOHKJ-UHFFFAOYSA-N 2 2 339.443 2.194 20 30 EEEDLP CN(CCC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001368545019 1374429838 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C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844047 795274827 /nfs/dbraw/zinc/27/48/27/795274827.db2.gz XGGVVFVGJFLUPR-VNQPRFMTSA-N 2 2 327.900 2.153 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453463 796262548 /nfs/dbraw/zinc/26/25/48/796262548.db2.gz UZHJJFIKFSJAKZ-MBOZVWFJSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453463 796262551 /nfs/dbraw/zinc/26/25/51/796262551.db2.gz UZHJJFIKFSJAKZ-MBOZVWFJSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595990 796653204 /nfs/dbraw/zinc/65/32/04/796653204.db2.gz IKIUJKZPMVMRRE-LSDHHAIUSA-N 2 2 338.883 2.463 20 30 EEEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081178335 796679023 /nfs/dbraw/zinc/67/90/23/796679023.db2.gz MDWLUSFFLGXGJH-JENIJYKNSA-N 2 2 348.450 2.047 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)cc1 ZINC001078736604 796883149 /nfs/dbraw/zinc/88/31/49/796883149.db2.gz LXVUPHKPICMTCO-ROUUACIJSA-N 2 2 349.438 2.041 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C12CCC2 ZINC001078771374 796963847 /nfs/dbraw/zinc/96/38/47/796963847.db2.gz SXQUCQLXIMIVLH-SJORKVTESA-N 2 2 337.427 2.084 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994207029 797388039 /nfs/dbraw/zinc/38/80/39/797388039.db2.gz IYROECKXDUUDGQ-NVXWUHKLSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994207029 797388047 /nfs/dbraw/zinc/38/80/47/797388047.db2.gz IYROECKXDUUDGQ-NVXWUHKLSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175504060 798137615 /nfs/dbraw/zinc/13/76/15/798137615.db2.gz XMZYERLHSPXAJY-SJORKVTESA-N 2 2 336.480 2.301 20 30 EEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389109 798323346 /nfs/dbraw/zinc/32/33/46/798323346.db2.gz LEZBEFLFWRGQTP-MRXNPFEDSA-N 2 2 342.487 2.002 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389109 798323352 /nfs/dbraw/zinc/32/33/52/798323352.db2.gz LEZBEFLFWRGQTP-MRXNPFEDSA-N 2 2 342.487 2.002 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728744 798540421 /nfs/dbraw/zinc/54/04/21/798540421.db2.gz ORERNJVNWWCQKF-INIZCTEOSA-N 2 2 347.528 2.394 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728744 798540426 /nfs/dbraw/zinc/54/04/26/798540426.db2.gz ORERNJVNWWCQKF-INIZCTEOSA-N 2 2 347.528 2.394 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975678 798587978 /nfs/dbraw/zinc/58/79/78/798587978.db2.gz OGWJKULFIKHMCX-MDZRGWNJSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975678 798587981 /nfs/dbraw/zinc/58/79/81/798587981.db2.gz OGWJKULFIKHMCX-MDZRGWNJSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975678 798587984 /nfs/dbraw/zinc/58/79/84/798587984.db2.gz OGWJKULFIKHMCX-MDZRGWNJSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975678 798587985 /nfs/dbraw/zinc/58/79/85/798587985.db2.gz OGWJKULFIKHMCX-MDZRGWNJSA-N 2 2 342.487 2.322 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C ZINC001085646789 800952840 /nfs/dbraw/zinc/95/28/40/800952840.db2.gz PYLXNBBBOUKIIJ-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccccc1C ZINC001085646789 800952844 /nfs/dbraw/zinc/95/28/44/800952844.db2.gz PYLXNBBBOUKIIJ-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccccc1C ZINC001085646789 800952847 /nfs/dbraw/zinc/95/28/47/800952847.db2.gz PYLXNBBBOUKIIJ-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184850155 802198681 /nfs/dbraw/zinc/19/86/81/802198681.db2.gz BWEYTPUYZPYNHZ-UKRRQHHQSA-N 2 2 338.883 2.179 20 30 EEEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004567658 802385060 /nfs/dbraw/zinc/38/50/60/802385060.db2.gz KHJRKNIOACFTHA-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004567658 802385070 /nfs/dbraw/zinc/38/50/70/802385070.db2.gz KHJRKNIOACFTHA-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004567658 802385078 /nfs/dbraw/zinc/38/50/78/802385078.db2.gz KHJRKNIOACFTHA-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004567658 802385088 /nfs/dbraw/zinc/38/50/88/802385088.db2.gz KHJRKNIOACFTHA-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004580317 802413787 /nfs/dbraw/zinc/41/37/87/802413787.db2.gz QYBWAJYKBGZJKA-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004580317 802413790 /nfs/dbraw/zinc/41/37/90/802413790.db2.gz QYBWAJYKBGZJKA-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004580317 802413800 /nfs/dbraw/zinc/41/38/00/802413800.db2.gz QYBWAJYKBGZJKA-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004580317 802413807 /nfs/dbraw/zinc/41/38/07/802413807.db2.gz QYBWAJYKBGZJKA-QFBILLFUSA-N 2 2 342.487 2.315 20 30 EEEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001113037724 807913152 /nfs/dbraw/zinc/91/31/52/807913152.db2.gz QJEAOGAQTGAJBH-QGZVFWFLSA-N 2 2 330.476 2.336 20 30 EEEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001113255021 808576284 /nfs/dbraw/zinc/57/62/84/808576284.db2.gz YSYNUADCVSEVEI-GOSISDBHSA-N 2 2 339.524 2.210 20 30 EEEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001113255021 808576291 /nfs/dbraw/zinc/57/62/91/808576291.db2.gz YSYNUADCVSEVEI-GOSISDBHSA-N 2 2 339.524 2.210 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001444081893 1098610063 /nfs/dbraw/zinc/61/00/63/1098610063.db2.gz SJYDYVFPCXCPDZ-CQSZACIVSA-N 2 2 336.867 2.217 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131928739 292395079 /nfs/dbraw/zinc/39/50/79/292395079.db2.gz KGLVLFSHCVPWEU-KRWDZBQOSA-N 2 2 339.395 2.494 20 30 EEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000333108401 266158522 /nfs/dbraw/zinc/15/85/22/266158522.db2.gz DXQWANKEMDIRNC-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000333108401 266158527 /nfs/dbraw/zinc/15/85/27/266158527.db2.gz DXQWANKEMDIRNC-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000333108401 266158532 /nfs/dbraw/zinc/15/85/32/266158532.db2.gz DXQWANKEMDIRNC-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000333108401 266158533 /nfs/dbraw/zinc/15/85/33/266158533.db2.gz DXQWANKEMDIRNC-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1(C#N)CCCCC1 ZINC000328884165 465156458 /nfs/dbraw/zinc/15/64/58/465156458.db2.gz YKJOGTHCSGFLQM-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1(C#N)CCCCC1 ZINC000328884165 465156464 /nfs/dbraw/zinc/15/64/64/465156464.db2.gz YKJOGTHCSGFLQM-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1(C#N)CCCCC1 ZINC000328884165 465156471 /nfs/dbraw/zinc/15/64/71/465156471.db2.gz YKJOGTHCSGFLQM-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1(C#N)CCCCC1 ZINC000328884165 465156475 /nfs/dbraw/zinc/15/64/75/465156475.db2.gz YKJOGTHCSGFLQM-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000490948310 468274424 /nfs/dbraw/zinc/27/44/24/468274424.db2.gz DMAWYDOUDCRRPJ-UHFFFAOYSA-N 2 2 342.487 2.247 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000156432691 463024377 /nfs/dbraw/zinc/02/43/77/463024377.db2.gz LHUCUYOWCOGRQK-BLLLJJGKSA-N 2 2 341.415 2.486 20 30 EEEDLP Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000156432691 463024380 /nfs/dbraw/zinc/02/43/80/463024380.db2.gz LHUCUYOWCOGRQK-BLLLJJGKSA-N 2 2 341.415 2.486 20 30 EEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134919640 463096765 /nfs/dbraw/zinc/09/67/65/463096765.db2.gz PUNNDQNHHZVDFJ-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134919640 463096772 /nfs/dbraw/zinc/09/67/72/463096772.db2.gz PUNNDQNHHZVDFJ-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134919640 463096779 /nfs/dbraw/zinc/09/67/79/463096779.db2.gz PUNNDQNHHZVDFJ-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134919640 463096783 /nfs/dbraw/zinc/09/67/83/463096783.db2.gz PUNNDQNHHZVDFJ-VQIMIIECSA-N 2 2 338.455 2.445 20 30 EEEDLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C#N)cc3F)ccn2)CC1 ZINC000269456822 463990001 /nfs/dbraw/zinc/99/00/01/463990001.db2.gz XBWLHFGAWVBONG-UHFFFAOYSA-N 2 2 339.418 2.134 20 30 EEEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])Nc2cccc3c2CCCC3)n1C ZINC000262535256 464031631 /nfs/dbraw/zinc/03/16/31/464031631.db2.gz PHWYAJRBCIFECN-UHFFFAOYSA-N 2 2 326.448 2.292 20 30 EEEDLP NC(=[NH+]OCCCCCF)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000284078096 464084579 /nfs/dbraw/zinc/08/45/79/464084579.db2.gz KIEDZHOKBPWKAV-UHFFFAOYSA-N 2 2 337.439 2.420 20 30 EEEDLP C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267002639 464901880 /nfs/dbraw/zinc/90/18/80/464901880.db2.gz ICDAYONMHBJXNS-WMLDXEAASA-N 2 2 346.475 2.080 20 30 EEEDLP N#Cc1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177096028 464929257 /nfs/dbraw/zinc/92/92/57/464929257.db2.gz RUUQDPFANMLSEI-UHFFFAOYSA-N 2 2 344.422 2.461 20 30 EEEDLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329405359 465323836 /nfs/dbraw/zinc/32/38/36/465323836.db2.gz BRDXMVMEYUEJRZ-ZBFHGGJFSA-N 2 2 331.464 2.192 20 30 EEEDLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000339543146 465334836 /nfs/dbraw/zinc/33/48/36/465334836.db2.gz IRUVMTVJKVBREJ-NRFANRHFSA-N 2 2 335.451 2.376 20 30 EEEDLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000339543146 465334843 /nfs/dbraw/zinc/33/48/43/465334843.db2.gz IRUVMTVJKVBREJ-NRFANRHFSA-N 2 2 335.451 2.376 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553283 465579824 /nfs/dbraw/zinc/57/98/24/465579824.db2.gz RHQSPPVPZJCLOW-MAUKXSAKSA-N 2 2 333.501 2.337 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553283 465579835 /nfs/dbraw/zinc/57/98/35/465579835.db2.gz RHQSPPVPZJCLOW-MAUKXSAKSA-N 2 2 333.501 2.337 20 30 EEEDLP Cc1cc(C)c(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(C)[nH+]1 ZINC000331348461 466042959 /nfs/dbraw/zinc/04/29/59/466042959.db2.gz XELZBCIVNVBZQV-UHFFFAOYSA-N 2 2 333.480 2.359 20 30 EEEDLP Cc1cc(C)c(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(C)[nH+]1 ZINC000331348461 466042967 /nfs/dbraw/zinc/04/29/67/466042967.db2.gz XELZBCIVNVBZQV-UHFFFAOYSA-N 2 2 333.480 2.359 20 30 EEEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000414951963 467457578 /nfs/dbraw/zinc/45/75/78/467457578.db2.gz JXHPJIVWAPTMAR-JTQLQIEISA-N 2 2 329.238 2.459 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507200 468881108 /nfs/dbraw/zinc/88/11/08/468881108.db2.gz KYXPNLFKKGWSLB-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507200 468881113 /nfs/dbraw/zinc/88/11/13/468881113.db2.gz KYXPNLFKKGWSLB-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507200 468881117 /nfs/dbraw/zinc/88/11/17/468881117.db2.gz KYXPNLFKKGWSLB-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507200 468881121 /nfs/dbraw/zinc/88/11/21/468881121.db2.gz KYXPNLFKKGWSLB-FUHWJXTLSA-N 2 2 332.492 2.135 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000574819291 469280831 /nfs/dbraw/zinc/28/08/31/469280831.db2.gz BHAMSLYVHNDABR-INIZCTEOSA-N 2 2 346.500 2.456 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609260366 469909450 /nfs/dbraw/zinc/90/94/50/469909450.db2.gz KJMVLMAFWNGGKM-QZTJIDSGSA-N 2 2 340.427 2.026 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609260366 469909455 /nfs/dbraw/zinc/90/94/55/469909455.db2.gz KJMVLMAFWNGGKM-QZTJIDSGSA-N 2 2 340.427 2.026 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000415962543 534780848 /nfs/dbraw/zinc/78/08/48/534780848.db2.gz TXDQPOFOMSECMV-UHFFFAOYSA-N 2 2 349.438 2.367 20 30 EEEDLP C[NH+]=C(NCc1nc(C)cs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160124044 526390443 /nfs/dbraw/zinc/39/04/43/526390443.db2.gz CIADZQBTVNYLOG-JSGCOSHPSA-N 2 2 332.477 2.307 20 30 EEEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000769975892 577588381 /nfs/dbraw/zinc/58/83/81/577588381.db2.gz NNWCJWCUTSMASH-SFHVURJKSA-N 2 2 349.478 2.438 20 30 EEEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000769975892 577588382 /nfs/dbraw/zinc/58/83/82/577588382.db2.gz NNWCJWCUTSMASH-SFHVURJKSA-N 2 2 349.478 2.438 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632021 676286652 /nfs/dbraw/zinc/28/66/52/676286652.db2.gz FDVORSBRKSKZIP-IAGOWNOFSA-N 2 2 336.439 2.284 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632021 676286654 /nfs/dbraw/zinc/28/66/54/676286654.db2.gz FDVORSBRKSKZIP-IAGOWNOFSA-N 2 2 336.439 2.284 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723733 676382072 /nfs/dbraw/zinc/38/20/72/676382072.db2.gz XPMPUZDXUPGFLY-GDBMZVCRSA-N 2 2 336.867 2.326 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723733 676382074 /nfs/dbraw/zinc/38/20/74/676382074.db2.gz XPMPUZDXUPGFLY-GDBMZVCRSA-N 2 2 336.867 2.326 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449333 679314831 /nfs/dbraw/zinc/31/48/31/679314831.db2.gz NPDKBQMRGFOPRQ-CABCVRRESA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449333 679314832 /nfs/dbraw/zinc/31/48/32/679314832.db2.gz NPDKBQMRGFOPRQ-CABCVRRESA-N 2 2 336.867 2.026 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024486756 679967706 /nfs/dbraw/zinc/96/77/06/679967706.db2.gz ICTMLDLENXYFAR-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024486756 679967700 /nfs/dbraw/zinc/96/77/00/679967700.db2.gz ICTMLDLENXYFAR-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024486756 679967710 /nfs/dbraw/zinc/96/77/10/679967710.db2.gz ICTMLDLENXYFAR-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024486756 679967717 /nfs/dbraw/zinc/96/77/17/679967717.db2.gz ICTMLDLENXYFAR-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747245 685372229 /nfs/dbraw/zinc/37/22/29/685372229.db2.gz BSGSUVMTLARTSI-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747245 685372235 /nfs/dbraw/zinc/37/22/35/685372235.db2.gz BSGSUVMTLARTSI-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747245 685372242 /nfs/dbraw/zinc/37/22/42/685372242.db2.gz BSGSUVMTLARTSI-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747245 685372248 /nfs/dbraw/zinc/37/22/48/685372248.db2.gz BSGSUVMTLARTSI-PBHICJAKSA-N 2 2 330.476 2.226 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)s1 ZINC001025100248 682027410 /nfs/dbraw/zinc/02/74/10/682027410.db2.gz FNRSKUZLMFHVTE-CQSZACIVSA-N 2 2 343.456 2.056 20 30 EEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000262017205 682851757 /nfs/dbraw/zinc/85/17/57/682851757.db2.gz XZGTWMMHJNHIKH-APWZRJJASA-N 2 2 346.475 2.104 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC000992876247 683617824 /nfs/dbraw/zinc/61/78/24/683617824.db2.gz NUECWMLWHNUWIE-YSIASYRMSA-N 2 2 348.450 2.336 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027653173 693802070 /nfs/dbraw/zinc/80/20/70/693802070.db2.gz WNHSOVMIVZIYHG-CQSZACIVSA-N 2 2 336.867 2.437 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027653173 693802073 /nfs/dbraw/zinc/80/20/73/693802073.db2.gz WNHSOVMIVZIYHG-CQSZACIVSA-N 2 2 336.867 2.437 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]12 ZINC001026293493 684209816 /nfs/dbraw/zinc/20/98/16/684209816.db2.gz FPKWODZDMMFWNV-HYVNUMGLSA-N 2 2 329.444 2.035 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]21 ZINC001026293494 684209922 /nfs/dbraw/zinc/20/99/22/684209922.db2.gz FPKWODZDMMFWNV-USXIJHARSA-N 2 2 329.444 2.035 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001026497090 684694930 /nfs/dbraw/zinc/69/49/30/684694930.db2.gz KTAZKQYYOUVCFL-JTTJXQCZSA-N 2 2 345.491 2.383 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001026497090 684694932 /nfs/dbraw/zinc/69/49/32/684694932.db2.gz KTAZKQYYOUVCFL-JTTJXQCZSA-N 2 2 345.491 2.383 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC2CCCC2)CC1(C)C ZINC000974685782 685222415 /nfs/dbraw/zinc/22/24/15/685222415.db2.gz LDNOSKIAXJFXAW-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC2CCCC2)CC1(C)C ZINC000974685782 685222419 /nfs/dbraw/zinc/22/24/19/685222419.db2.gz LDNOSKIAXJFXAW-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC000974685782 685222421 /nfs/dbraw/zinc/22/24/21/685222421.db2.gz LDNOSKIAXJFXAW-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC000974685782 685222425 /nfs/dbraw/zinc/22/24/25/685222425.db2.gz LDNOSKIAXJFXAW-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482394180 1185601006 /nfs/dbraw/zinc/60/10/06/1185601006.db2.gz WTNBLLCSVLKQGG-GOSISDBHSA-N 2 2 339.443 2.145 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088620389 1187958595 /nfs/dbraw/zinc/95/85/95/1187958595.db2.gz IDFTYQGJKXCOIV-OAGGEKHMSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088620389 1187958597 /nfs/dbraw/zinc/95/85/97/1187958597.db2.gz IDFTYQGJKXCOIV-OAGGEKHMSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088620389 1187958600 /nfs/dbraw/zinc/95/86/00/1187958600.db2.gz IDFTYQGJKXCOIV-OAGGEKHMSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088620389 1187958602 /nfs/dbraw/zinc/95/86/02/1187958602.db2.gz IDFTYQGJKXCOIV-OAGGEKHMSA-N 2 2 327.900 2.296 20 30 EEEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570511 1188183886 /nfs/dbraw/zinc/18/38/86/1188183886.db2.gz SZWUBHFYMAJNMC-INIZCTEOSA-N 2 2 328.460 2.117 20 30 EEEDLP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC001272431735 1190818758 /nfs/dbraw/zinc/81/87/58/1190818758.db2.gz MKNVLHBYPFVXRJ-HXUWFJFHSA-N 2 2 334.423 2.072 20 30 EEEDLP C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC001272431735 1190818760 /nfs/dbraw/zinc/81/87/60/1190818760.db2.gz MKNVLHBYPFVXRJ-HXUWFJFHSA-N 2 2 334.423 2.072 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217515 1195956874 /nfs/dbraw/zinc/95/68/74/1195956874.db2.gz SFJHCUBUXKAPEV-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217515 1195956876 /nfs/dbraw/zinc/95/68/76/1195956876.db2.gz SFJHCUBUXKAPEV-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217515 1195956879 /nfs/dbraw/zinc/95/68/79/1195956879.db2.gz SFJHCUBUXKAPEV-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217515 1195956880 /nfs/dbraw/zinc/95/68/80/1195956880.db2.gz SFJHCUBUXKAPEV-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369566 1199527672 /nfs/dbraw/zinc/52/76/72/1199527672.db2.gz OHZHQKGTZILLTM-CABCVRRESA-N 2 2 344.459 2.332 20 30 EEEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001133221711 1200602349 /nfs/dbraw/zinc/60/23/49/1200602349.db2.gz FZNTWJBREBYGAW-WMZOPIPTSA-N 2 2 336.439 2.193 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363557 1200795940 /nfs/dbraw/zinc/79/59/40/1200795940.db2.gz KJERIVLRAJJPLA-GOEBONIOSA-N 2 2 338.883 2.490 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC001095556237 1205872854 /nfs/dbraw/zinc/87/28/54/1205872854.db2.gz GTDHXPPCDVJLRD-FYQPLNBISA-N 2 2 337.467 2.006 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001095556237 1205872855 /nfs/dbraw/zinc/87/28/55/1205872855.db2.gz GTDHXPPCDVJLRD-FYQPLNBISA-N 2 2 337.467 2.006 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1 ZINC001095556237 1205872860 /nfs/dbraw/zinc/87/28/60/1205872860.db2.gz GTDHXPPCDVJLRD-FYQPLNBISA-N 2 2 337.467 2.006 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111169239 1208311879 /nfs/dbraw/zinc/31/18/79/1208311879.db2.gz JIBYQSMAFOQFNS-QRVBRYPASA-N 2 2 340.471 2.122 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111169239 1208311881 /nfs/dbraw/zinc/31/18/81/1208311881.db2.gz JIBYQSMAFOQFNS-QRVBRYPASA-N 2 2 340.471 2.122 20 30 EEEDLP COc1cccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303773144 1213903258 /nfs/dbraw/zinc/90/32/58/1213903258.db2.gz FBXWXQQZXFEVTO-OKILXGFUSA-N 2 2 334.464 2.310 20 30 EEEDLP COc1cccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303773144 1213903269 /nfs/dbraw/zinc/90/32/69/1213903269.db2.gz FBXWXQQZXFEVTO-OKILXGFUSA-N 2 2 334.464 2.310 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961261389 1217115952 /nfs/dbraw/zinc/11/59/52/1217115952.db2.gz LKCRRRWIMYCSKE-HZPDHXFCSA-N 2 2 330.476 2.434 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961261389 1217115954 /nfs/dbraw/zinc/11/59/54/1217115954.db2.gz LKCRRRWIMYCSKE-HZPDHXFCSA-N 2 2 330.476 2.434 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296861 1217487568 /nfs/dbraw/zinc/48/75/68/1217487568.db2.gz FLYHDKJJHBNDTA-DLBZAZTESA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296861 1217487571 /nfs/dbraw/zinc/48/75/71/1217487571.db2.gz FLYHDKJJHBNDTA-DLBZAZTESA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963385197 1217581765 /nfs/dbraw/zinc/58/17/65/1217581765.db2.gz KJIMVNYEKJTHPX-IRXDYDNUSA-N 2 2 342.487 2.414 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963385197 1217581768 /nfs/dbraw/zinc/58/17/68/1217581768.db2.gz KJIMVNYEKJTHPX-IRXDYDNUSA-N 2 2 342.487 2.414 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966491412 1219791103 /nfs/dbraw/zinc/79/11/03/1219791103.db2.gz NVTGBBXFIISWNL-ZBFHGGJFSA-N 2 2 333.501 2.273 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966491412 1219791105 /nfs/dbraw/zinc/79/11/05/1219791105.db2.gz NVTGBBXFIISWNL-ZBFHGGJFSA-N 2 2 333.501 2.273 20 30 EEEDLP 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/nfs/dbraw/zinc/92/22/58/1237922258.db2.gz RFFSYGKBXJEURR-NXOAAHMSSA-N 2 2 342.487 2.368 20 30 EEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001048542718 1237922263 /nfs/dbraw/zinc/92/22/63/1237922263.db2.gz RFFSYGKBXJEURR-NXOAAHMSSA-N 2 2 342.487 2.368 20 30 EEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001048542718 1237922266 /nfs/dbraw/zinc/92/22/66/1237922266.db2.gz RFFSYGKBXJEURR-NXOAAHMSSA-N 2 2 342.487 2.368 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001049829130 1242334353 /nfs/dbraw/zinc/33/43/53/1242334353.db2.gz UVEXMWOTNUZNLH-ROUUACIJSA-N 2 2 337.427 2.132 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001049829130 1242334365 /nfs/dbraw/zinc/33/43/65/1242334365.db2.gz UVEXMWOTNUZNLH-ROUUACIJSA-N 2 2 337.427 2.132 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001563571 1242486052 /nfs/dbraw/zinc/48/60/52/1242486052.db2.gz QSLXLSUNBXBUQD-HNNXBMFYSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112906 1243718946 /nfs/dbraw/zinc/71/89/46/1243718946.db2.gz IZVCFRYEVPUVTJ-ZACQAIPSSA-N 2 2 328.460 2.060 20 30 EEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112906 1243718958 /nfs/dbraw/zinc/71/89/58/1243718958.db2.gz IZVCFRYEVPUVTJ-ZACQAIPSSA-N 2 2 328.460 2.060 20 30 EEEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001051082493 1244953260 /nfs/dbraw/zinc/95/32/60/1244953260.db2.gz POUWVOVNLMIJTP-OALUTQOASA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001051082493 1244953266 /nfs/dbraw/zinc/95/32/66/1244953266.db2.gz POUWVOVNLMIJTP-OALUTQOASA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001051082493 1244953277 /nfs/dbraw/zinc/95/32/77/1244953277.db2.gz POUWVOVNLMIJTP-OALUTQOASA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001051082493 1244953287 /nfs/dbraw/zinc/95/32/87/1244953287.db2.gz POUWVOVNLMIJTP-OALUTQOASA-N 2 2 349.519 2.177 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053051669 1245775315 /nfs/dbraw/zinc/77/53/15/1245775315.db2.gz QAEDRLKUSDAWCS-MSOLQXFVSA-N 2 2 342.487 2.235 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053051669 1245775318 /nfs/dbraw/zinc/77/53/18/1245775318.db2.gz QAEDRLKUSDAWCS-MSOLQXFVSA-N 2 2 342.487 2.235 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448862 1245842173 /nfs/dbraw/zinc/84/21/73/1245842173.db2.gz OZMMOKJLJRNJJP-HLIPFELVSA-N 2 2 344.503 2.488 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448862 1245842176 /nfs/dbraw/zinc/84/21/76/1245842176.db2.gz OZMMOKJLJRNJJP-HLIPFELVSA-N 2 2 344.503 2.488 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152785 1247541633 /nfs/dbraw/zinc/54/16/33/1247541633.db2.gz HSPQXAALPHSUMG-IBGZPJMESA-N 2 2 330.476 2.427 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152785 1247541639 /nfs/dbraw/zinc/54/16/39/1247541639.db2.gz HSPQXAALPHSUMG-IBGZPJMESA-N 2 2 330.476 2.427 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001054155243 1247549118 /nfs/dbraw/zinc/54/91/18/1247549118.db2.gz MSDXCKOALCCLJP-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001054155243 1247549128 /nfs/dbraw/zinc/54/91/28/1247549128.db2.gz MSDXCKOALCCLJP-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911965 1257857307 /nfs/dbraw/zinc/85/73/07/1257857307.db2.gz ZTTZTYWMZOFGOM-UWVAXJGDSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911965 1257857314 /nfs/dbraw/zinc/85/73/14/1257857314.db2.gz ZTTZTYWMZOFGOM-UWVAXJGDSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001187051338 1279365565 /nfs/dbraw/zinc/36/55/65/1279365565.db2.gz MZDCIJXKBIPRMP-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191019630 1281178908 /nfs/dbraw/zinc/17/89/08/1281178908.db2.gz PDTIEOOYLFJODX-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191019630 1281178914 /nfs/dbraw/zinc/17/89/14/1281178914.db2.gz PDTIEOOYLFJODX-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191019630 1281178917 /nfs/dbraw/zinc/17/89/17/1281178917.db2.gz PDTIEOOYLFJODX-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191019630 1281178923 /nfs/dbraw/zinc/17/89/23/1281178923.db2.gz PDTIEOOYLFJODX-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193292625 1282428085 /nfs/dbraw/zinc/42/80/85/1282428085.db2.gz QDXLCGIMZFYDNS-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193292625 1282428089 /nfs/dbraw/zinc/42/80/89/1282428089.db2.gz QDXLCGIMZFYDNS-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193292625 1282428093 /nfs/dbraw/zinc/42/80/93/1282428093.db2.gz QDXLCGIMZFYDNS-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193292625 1282428095 /nfs/dbraw/zinc/42/80/95/1282428095.db2.gz QDXLCGIMZFYDNS-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525958 1289656594 /nfs/dbraw/zinc/65/65/94/1289656594.db2.gz YHYJPAXOPNFXMI-IAGOWNOFSA-N 2 2 334.464 2.008 20 30 EEEDLP COc1cc(N2CC3(C2)CC[N@H+](Cc2cc(C#N)n(C)c2)C3)cc[nH+]1 ZINC001277073516 1301159091 /nfs/dbraw/zinc/15/90/91/1301159091.db2.gz QIMCXSRWMNFIJL-UHFFFAOYSA-N 2 2 337.427 2.013 20 30 EEEDLP COc1cc(N2CC3(C2)CC[N@@H+](Cc2cc(C#N)n(C)c2)C3)cc[nH+]1 ZINC001277073516 1301159095 /nfs/dbraw/zinc/15/90/95/1301159095.db2.gz QIMCXSRWMNFIJL-UHFFFAOYSA-N 2 2 337.427 2.013 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227176086 1301721098 /nfs/dbraw/zinc/72/10/98/1301721098.db2.gz SMCGBODJRZXITM-GVDBMIGSSA-N 2 2 330.476 2.429 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001228440362 1302264731 /nfs/dbraw/zinc/26/47/31/1302264731.db2.gz GZIHERNKYINIDF-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001228440362 1302264737 /nfs/dbraw/zinc/26/47/37/1302264737.db2.gz GZIHERNKYINIDF-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112199052 1304322068 /nfs/dbraw/zinc/32/20/68/1304322068.db2.gz JSWSZWIKYVJHIW-TZMCWYRMSA-N 2 2 344.381 2.206 20 30 EEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001112424223 1304541470 /nfs/dbraw/zinc/54/14/70/1304541470.db2.gz RUIZGPUYOQVGFZ-LPHOPBHVSA-N 2 2 329.444 2.037 20 30 EEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001121313996 1309978252 /nfs/dbraw/zinc/97/82/52/1309978252.db2.gz LQWAZWKWEQBFRL-AKJOHPPZSA-N 2 2 342.487 2.429 20 30 EEEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246032142 1310216014 /nfs/dbraw/zinc/21/60/14/1310216014.db2.gz LFMCUVDHOGWATQ-HKUYNNGSSA-N 2 2 339.524 2.042 20 30 EEEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246032142 1310216019 /nfs/dbraw/zinc/21/60/19/1310216019.db2.gz LFMCUVDHOGWATQ-HKUYNNGSSA-N 2 2 339.524 2.042 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246309709 1310277629 /nfs/dbraw/zinc/27/76/29/1310277629.db2.gz WMAVKWWIFLPLTR-CEXWTWQISA-N 3 2 345.487 2.296 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246309709 1310277638 /nfs/dbraw/zinc/27/76/38/1310277638.db2.gz WMAVKWWIFLPLTR-CEXWTWQISA-N 2 2 345.487 2.296 20 30 EEEDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(C#N)c1 ZINC001139325274 1314731568 /nfs/dbraw/zinc/73/15/68/1314731568.db2.gz JCTQRZLBDMEWBJ-UHFFFAOYSA-N 2 2 341.484 2.399 20 30 EEEDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(C#N)c1 ZINC001139325274 1314731569 /nfs/dbraw/zinc/73/15/69/1314731569.db2.gz JCTQRZLBDMEWBJ-UHFFFAOYSA-N 2 2 341.484 2.399 20 30 EEEDLP C=C(C[NH+](C)C)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834644748 1314857584 /nfs/dbraw/zinc/85/75/84/1314857584.db2.gz RGBDGENRHYQLOV-UHFFFAOYSA-N 2 2 338.455 2.322 20 30 EEEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272406 1317032901 /nfs/dbraw/zinc/03/29/01/1317032901.db2.gz AEQWKBKSUBWILT-CQSZACIVSA-N 2 2 347.850 2.460 20 30 EEEDLP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272406 1317032911 /nfs/dbraw/zinc/03/29/11/1317032911.db2.gz AEQWKBKSUBWILT-CQSZACIVSA-N 2 2 347.850 2.460 20 30 EEEDLP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001252490884 1317616215 /nfs/dbraw/zinc/61/62/15/1317616215.db2.gz KVPVZGISYGQVNM-IBGZPJMESA-N 2 2 336.451 2.252 20 30 EEEDLP C=C[C@H](O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583277 1317887447 /nfs/dbraw/zinc/88/74/47/1317887447.db2.gz ZQEMXKGWKGBQLI-IRXDYDNUSA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@H](O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583277 1317887455 /nfs/dbraw/zinc/88/74/55/1317887455.db2.gz ZQEMXKGWKGBQLI-IRXDYDNUSA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253583277 1317887464 /nfs/dbraw/zinc/88/74/64/1317887464.db2.gz ZQEMXKGWKGBQLI-IRXDYDNUSA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253583277 1317887466 /nfs/dbraw/zinc/88/74/66/1317887466.db2.gz ZQEMXKGWKGBQLI-IRXDYDNUSA-N 2 2 337.414 2.162 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001158148397 1319045429 /nfs/dbraw/zinc/04/54/29/1319045429.db2.gz OUWPRSIVJHTMFP-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001158148397 1319045437 /nfs/dbraw/zinc/04/54/37/1319045437.db2.gz OUWPRSIVJHTMFP-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161806145 1320632036 /nfs/dbraw/zinc/63/20/36/1320632036.db2.gz ZXHJGOUHAASYNS-UHFFFAOYSA-N 2 2 330.476 2.457 20 30 EEEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161806145 1320632040 /nfs/dbraw/zinc/63/20/40/1320632040.db2.gz ZXHJGOUHAASYNS-UHFFFAOYSA-N 2 2 330.476 2.457 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)(COC)CC1 ZINC001162528087 1320887327 /nfs/dbraw/zinc/88/73/27/1320887327.db2.gz SPNDMCNYGNSLST-INIZCTEOSA-N 2 2 348.491 2.009 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)(COC)CC1 ZINC001162528087 1320887330 /nfs/dbraw/zinc/88/73/30/1320887330.db2.gz SPNDMCNYGNSLST-INIZCTEOSA-N 2 2 348.491 2.009 20 30 EEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163275096 1321084668 /nfs/dbraw/zinc/08/46/68/1321084668.db2.gz PVXBSQRXJDXNMD-SFHVURJKSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163275096 1321084670 /nfs/dbraw/zinc/08/46/70/1321084670.db2.gz PVXBSQRXJDXNMD-SFHVURJKSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001206013659 1323369280 /nfs/dbraw/zinc/36/92/80/1323369280.db2.gz OLIWRCHIJKMUFL-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001206013659 1323369286 /nfs/dbraw/zinc/36/92/86/1323369286.db2.gz OLIWRCHIJKMUFL-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206955719 1323742047 /nfs/dbraw/zinc/74/20/47/1323742047.db2.gz FDMRZZWWTZXSOR-GOSISDBHSA-N 2 2 330.476 2.089 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001100461111 1338397906 /nfs/dbraw/zinc/39/79/06/1338397906.db2.gz LGUIFVDCMINKPU-HWOWSKLDSA-N 2 2 330.476 2.274 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001100461111 1338397908 /nfs/dbraw/zinc/39/79/08/1338397908.db2.gz LGUIFVDCMINKPU-HWOWSKLDSA-N 2 2 330.476 2.274 20 30 EEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001186761947 1368213682 /nfs/dbraw/zinc/21/36/82/1368213682.db2.gz GTVJXEZCQXXHLW-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190259971 1368403254 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XMZYERLHSPXAJY-DLBZAZTESA-N 2 2 336.480 2.301 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176000700 798312234 /nfs/dbraw/zinc/31/22/34/798312234.db2.gz QPHFRUDQIOISRK-INIZCTEOSA-N 2 2 339.443 2.169 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001032827232 798455936 /nfs/dbraw/zinc/45/59/36/798455936.db2.gz XQZSXFJJIUEWKR-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001032827232 798455940 /nfs/dbraw/zinc/45/59/40/798455940.db2.gz XQZSXFJJIUEWKR-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001032827232 798455943 /nfs/dbraw/zinc/45/59/43/798455943.db2.gz XQZSXFJJIUEWKR-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001032827232 798455946 /nfs/dbraw/zinc/45/59/46/798455946.db2.gz XQZSXFJJIUEWKR-SNRMKQJTSA-N 2 2 343.446 2.175 20 30 EEEDLP N#Cc1ccccc1C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689982 800039684 /nfs/dbraw/zinc/03/96/84/800039684.db2.gz UXQDUNQOCRNKKM-UHFFFAOYSA-N 2 2 339.443 2.290 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952402 800974082 /nfs/dbraw/zinc/97/40/82/800974082.db2.gz YDKFMAPIYYGQAV-GPMSIDNRSA-N 2 2 330.476 2.096 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004621673 802482081 /nfs/dbraw/zinc/48/20/81/802482081.db2.gz USJJCMTZUPPDFW-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004621673 802482086 /nfs/dbraw/zinc/48/20/86/802482086.db2.gz USJJCMTZUPPDFW-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004621673 802482090 /nfs/dbraw/zinc/48/20/90/802482090.db2.gz USJJCMTZUPPDFW-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004621673 802482093 /nfs/dbraw/zinc/48/20/93/802482093.db2.gz USJJCMTZUPPDFW-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001033160330 802688227 /nfs/dbraw/zinc/68/82/27/802688227.db2.gz FABRMADFEOLCMQ-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001033160330 802688230 /nfs/dbraw/zinc/68/82/30/802688230.db2.gz FABRMADFEOLCMQ-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001033160330 802688232 /nfs/dbraw/zinc/68/82/32/802688232.db2.gz FABRMADFEOLCMQ-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC001033160330 802688237 /nfs/dbraw/zinc/68/82/37/802688237.db2.gz FABRMADFEOLCMQ-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033199493 803067431 /nfs/dbraw/zinc/06/74/31/803067431.db2.gz UFQIHIJINIMQLL-WMLDXEAASA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033199493 803067436 /nfs/dbraw/zinc/06/74/36/803067436.db2.gz UFQIHIJINIMQLL-WMLDXEAASA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033199493 803067444 /nfs/dbraw/zinc/06/74/44/803067444.db2.gz UFQIHIJINIMQLL-WMLDXEAASA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033199493 803067448 /nfs/dbraw/zinc/06/74/48/803067448.db2.gz UFQIHIJINIMQLL-WMLDXEAASA-N 2 2 346.500 2.137 20 30 EEEDLP C=CCCCCC[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001113053263 807971689 /nfs/dbraw/zinc/97/16/89/807971689.db2.gz COFSMDRDGVYKDC-UHFFFAOYSA-N 2 2 334.464 2.240 20 30 EEEDLP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001440270603 1093382998 /nfs/dbraw/zinc/38/29/98/1093382998.db2.gz WGUZUHPYQAKFPK-OAHLLOKOSA-N 2 2 348.516 2.384 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001440270603 1093383004 /nfs/dbraw/zinc/38/30/04/1093383004.db2.gz WGUZUHPYQAKFPK-OAHLLOKOSA-N 2 2 348.516 2.384 20 30 EEEDLP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001440270603 1093383012 /nfs/dbraw/zinc/38/30/12/1093383012.db2.gz WGUZUHPYQAKFPK-OAHLLOKOSA-N 2 2 348.516 2.384 20 30 EEEDLP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001440270603 1093383021 /nfs/dbraw/zinc/38/30/21/1093383021.db2.gz WGUZUHPYQAKFPK-OAHLLOKOSA-N 2 2 348.516 2.384 20 30 EEEDLP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001441044374 1094341329 /nfs/dbraw/zinc/34/13/29/1094341329.db2.gz WAUMQWYDIWDVGG-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001441044374 1094341338 /nfs/dbraw/zinc/34/13/38/1094341338.db2.gz WAUMQWYDIWDVGG-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664807 218240653 /nfs/dbraw/zinc/24/06/53/218240653.db2.gz OCYPXWWAMBFOOJ-LJQANCHMSA-N 2 2 328.456 2.243 20 30 EEEDLP C#CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664807 218240656 /nfs/dbraw/zinc/24/06/56/218240656.db2.gz OCYPXWWAMBFOOJ-LJQANCHMSA-N 2 2 328.456 2.243 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000270940568 256189640 /nfs/dbraw/zinc/18/96/40/256189640.db2.gz JPVYLYXFHJJZPY-UHFFFAOYSA-N 2 2 327.476 2.270 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(CC(F)F)C3)CC2)cc1 ZINC000417399811 270019754 /nfs/dbraw/zinc/01/97/54/270019754.db2.gz ZZHBATCMOJSMDQ-GOSISDBHSA-N 2 2 348.441 2.452 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000299602504 268254412 /nfs/dbraw/zinc/25/44/12/268254412.db2.gz VYUNKNBPYMGLER-UHFFFAOYSA-N 3 2 335.455 2.255 20 30 EEEDLP N#Cc1cccc(CC[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000566125542 319248606 /nfs/dbraw/zinc/24/86/06/319248606.db2.gz TXAPFIRUWKCDJZ-NRFANRHFSA-N 2 2 335.451 2.110 20 30 EEEDLP N#Cc1cccc(CC[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000566125542 319248609 /nfs/dbraw/zinc/24/86/09/319248609.db2.gz TXAPFIRUWKCDJZ-NRFANRHFSA-N 2 2 335.451 2.110 20 30 EEEDLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1F ZINC000581602835 324287052 /nfs/dbraw/zinc/28/70/52/324287052.db2.gz UMRKDLBPERDAQX-NSHDSACASA-N 2 2 328.395 2.133 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328805236 465134364 /nfs/dbraw/zinc/13/43/64/465134364.db2.gz HNFFQIBZMIXWEC-HZPDHXFCSA-N 2 2 333.480 2.244 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328805236 465134372 /nfs/dbraw/zinc/13/43/72/465134372.db2.gz HNFFQIBZMIXWEC-HZPDHXFCSA-N 2 2 333.480 2.244 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000159614711 463295423 /nfs/dbraw/zinc/29/54/23/463295423.db2.gz BLORZYYNSAKEAX-IRXDYDNUSA-N 2 2 330.476 2.260 20 30 EEEDLP CC(C)N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000271878898 464397258 /nfs/dbraw/zinc/39/72/58/464397258.db2.gz OVNWBGAPFIJEKS-IBGZPJMESA-N 2 2 340.471 2.122 20 30 EEEDLP C[NH+]=C(NCc1ccoc1)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000176315960 464746969 /nfs/dbraw/zinc/74/69/69/464746969.db2.gz XDGAMJKQMAYCIZ-ZDUSSCGKSA-N 2 2 332.473 2.453 20 30 EEEDLP C[NH+]=C(NCc1ccoc1)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000176315960 464746975 /nfs/dbraw/zinc/74/69/75/464746975.db2.gz XDGAMJKQMAYCIZ-ZDUSSCGKSA-N 2 2 332.473 2.453 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274767501 464754212 /nfs/dbraw/zinc/75/42/12/464754212.db2.gz LNVURRUCZPODHH-SJLPKXTDSA-N 2 2 336.501 2.087 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274767501 464754217 /nfs/dbraw/zinc/75/42/17/464754217.db2.gz LNVURRUCZPODHH-SJLPKXTDSA-N 2 2 336.501 2.087 20 30 EEEDLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176800157 464854157 /nfs/dbraw/zinc/85/41/57/464854157.db2.gz OEMDWBUDSNJMBR-OAHLLOKOSA-N 2 2 332.473 2.187 20 30 EEEDLP CN(C(=O)NCc1cn2c([nH+]1)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329411935 465324986 /nfs/dbraw/zinc/32/49/86/465324986.db2.gz DHCDYTOJRATBDT-XYPWUTKMSA-N 2 2 331.464 2.190 20 30 EEEDLP CN(C(=O)NCc1cn2c([nH+]1)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329411935 465324990 /nfs/dbraw/zinc/32/49/90/465324990.db2.gz DHCDYTOJRATBDT-XYPWUTKMSA-N 2 2 331.464 2.190 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)nc[nH+]1 ZINC000330233833 465580757 /nfs/dbraw/zinc/58/07/57/465580757.db2.gz SJJOJXLLNSJMLQ-HUUCEWRRSA-N 2 2 344.463 2.070 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)nc[nH+]1 ZINC000330233833 465580760 /nfs/dbraw/zinc/58/07/60/465580760.db2.gz SJJOJXLLNSJMLQ-HUUCEWRRSA-N 2 2 344.463 2.070 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH+]cn1 ZINC000330233833 465580762 /nfs/dbraw/zinc/58/07/62/465580762.db2.gz SJJOJXLLNSJMLQ-HUUCEWRRSA-N 2 2 344.463 2.070 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH+]cn1 ZINC000330233833 465580766 /nfs/dbraw/zinc/58/07/66/465580766.db2.gz SJJOJXLLNSJMLQ-HUUCEWRRSA-N 2 2 344.463 2.070 20 30 EEEDLP CN(Cc1ccc(C#N)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367116872 466138756 /nfs/dbraw/zinc/13/87/56/466138756.db2.gz IYUMONBDJZRAFG-SFHVURJKSA-N 2 2 330.451 2.298 20 30 EEEDLP CN(Cc1ccc(C#N)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367116872 466138762 /nfs/dbraw/zinc/13/87/62/466138762.db2.gz IYUMONBDJZRAFG-SFHVURJKSA-N 2 2 330.451 2.298 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116872 466138770 /nfs/dbraw/zinc/13/87/70/466138770.db2.gz IYUMONBDJZRAFG-SFHVURJKSA-N 2 2 330.451 2.298 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116872 466138779 /nfs/dbraw/zinc/13/87/79/466138779.db2.gz IYUMONBDJZRAFG-SFHVURJKSA-N 2 2 330.451 2.298 20 30 EEEDLP CN(C)C(NCc1ccccc1)=[NH+]CCc1cn2c([nH+]1)CCCC2 ZINC000363482911 466432157 /nfs/dbraw/zinc/43/21/57/466432157.db2.gz BXJBPMXUGWSFDV-UHFFFAOYSA-N 2 2 325.460 2.469 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)CC1 ZINC000374883684 466758840 /nfs/dbraw/zinc/75/88/40/466758840.db2.gz XOKLEJRZGZEVFY-GOSISDBHSA-N 2 2 345.874 2.158 20 30 EEEDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000365735228 466922718 /nfs/dbraw/zinc/92/27/18/466922718.db2.gz KJPKMILWGNSVOV-WOJBJXKFSA-N 2 2 342.487 2.005 20 30 EEEDLP C[N@H+](CCC[NH2+]Cc1cnc2c(C#N)cnn2c1)Cc1ccccc1 ZINC000559851190 468757528 /nfs/dbraw/zinc/75/75/28/468757528.db2.gz CCQGKIAQOSNDIX-UHFFFAOYSA-N 2 2 334.427 2.213 20 30 EEEDLP C[N@@H+](CCC[NH2+]Cc1cnc2c(C#N)cnn2c1)Cc1ccccc1 ZINC000559851190 468757532 /nfs/dbraw/zinc/75/75/32/468757532.db2.gz CCQGKIAQOSNDIX-UHFFFAOYSA-N 2 2 334.427 2.213 20 30 EEEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504571 468879210 /nfs/dbraw/zinc/87/92/10/468879210.db2.gz JUJVPXOPYWDGKE-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504571 468879211 /nfs/dbraw/zinc/87/92/11/468879211.db2.gz JUJVPXOPYWDGKE-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504571 468879214 /nfs/dbraw/zinc/87/92/14/468879214.db2.gz JUJVPXOPYWDGKE-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504571 468879217 /nfs/dbraw/zinc/87/92/17/468879217.db2.gz JUJVPXOPYWDGKE-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C1 ZINC000615226352 469185614 /nfs/dbraw/zinc/18/56/14/469185614.db2.gz XEWUOZDQEUWDAW-KRWDZBQOSA-N 2 2 332.879 2.423 20 30 EEEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C1 ZINC000615226352 469185620 /nfs/dbraw/zinc/18/56/20/469185620.db2.gz XEWUOZDQEUWDAW-KRWDZBQOSA-N 2 2 332.879 2.423 20 30 EEEDLP C[NH+]=C(NCc1nc(C)cs1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160124186 526390327 /nfs/dbraw/zinc/39/03/27/526390327.db2.gz CIADZQBTVNYLOG-OCCSQVGLSA-N 2 2 332.477 2.307 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@@H](CC)c2ccccc2)CC1 ZINC000775895288 577448112 /nfs/dbraw/zinc/44/81/12/577448112.db2.gz LOLIXVUOCCQPKL-LJQANCHMSA-N 2 2 341.499 2.280 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@@H](CC)c2ccccc2)CC1 ZINC000775895288 577448113 /nfs/dbraw/zinc/44/81/13/577448113.db2.gz LOLIXVUOCCQPKL-LJQANCHMSA-N 2 2 341.499 2.280 20 30 EEEDLP C(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000753936201 577796682 /nfs/dbraw/zinc/79/66/82/577796682.db2.gz RGRGLNPMDNLCGO-IAGOWNOFSA-N 2 2 347.507 2.115 20 30 EEEDLP CCOc1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)nc1 ZINC000755944388 577835088 /nfs/dbraw/zinc/83/50/88/577835088.db2.gz FBZNLFPWNFBUOX-UHFFFAOYSA-N 2 2 328.416 2.379 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000746190370 577923754 /nfs/dbraw/zinc/92/37/54/577923754.db2.gz HXRSDYYWMCYXTK-FQEVSTJZSA-N 2 2 339.483 2.209 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000746190370 577923755 /nfs/dbraw/zinc/92/37/55/577923755.db2.gz HXRSDYYWMCYXTK-FQEVSTJZSA-N 2 2 339.483 2.209 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)Nc2cccc(F)c2)cc1 ZINC000747838902 577951246 /nfs/dbraw/zinc/95/12/46/577951246.db2.gz QXOROERZUFZSBN-UHFFFAOYSA-N 2 2 344.390 2.163 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(C)o2)CC1 ZINC000748821676 577967576 /nfs/dbraw/zinc/96/75/76/577967576.db2.gz UBLZBEMVBVCHLL-GOSISDBHSA-N 2 2 343.471 2.283 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)CC1 ZINC000748821676 577967577 /nfs/dbraw/zinc/96/75/77/577967577.db2.gz UBLZBEMVBVCHLL-GOSISDBHSA-N 2 2 343.471 2.283 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576083 676229777 /nfs/dbraw/zinc/22/97/77/676229777.db2.gz RHGRSHLZOKXNNR-HUUCEWRRSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576083 676229778 /nfs/dbraw/zinc/22/97/78/676229778.db2.gz RHGRSHLZOKXNNR-HUUCEWRRSA-N 2 2 336.867 2.408 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021586827 676240854 /nfs/dbraw/zinc/24/08/54/676240854.db2.gz FLOIMVYYPQUHEC-ROUUACIJSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021586827 676240856 /nfs/dbraw/zinc/24/08/56/676240856.db2.gz FLOIMVYYPQUHEC-ROUUACIJSA-N 2 2 336.439 2.202 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001021590447 676245448 /nfs/dbraw/zinc/24/54/48/676245448.db2.gz GBHGIFKEGUJHCE-AEFFLSMTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001021590447 676245449 /nfs/dbraw/zinc/24/54/49/676245449.db2.gz GBHGIFKEGUJHCE-AEFFLSMTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000892880851 683162633 /nfs/dbraw/zinc/16/26/33/683162633.db2.gz MAWXASAVUYPXLY-UHFFFAOYSA-N 2 2 329.444 2.247 20 30 EEEDLP CC1(C)OC[C@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC000895188847 684259851 /nfs/dbraw/zinc/25/98/51/684259851.db2.gz UTQSLQLLGTWMSX-SFHVURJKSA-N 2 2 329.444 2.264 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001026516933 684709515 /nfs/dbraw/zinc/70/95/15/684709515.db2.gz IMGKRBZLNHUJAO-WLYUNCDWSA-N 2 2 336.867 2.215 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001026516932 684709611 /nfs/dbraw/zinc/70/96/11/684709611.db2.gz IMGKRBZLNHUJAO-NFOMZHRRSA-N 2 2 336.867 2.215 20 30 EEEDLP C=CC[NH2+]C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001026591354 684769132 /nfs/dbraw/zinc/76/91/32/684769132.db2.gz AXSIDMOJMBFBQT-UHFFFAOYSA-N 2 2 325.416 2.084 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974651248 685174856 /nfs/dbraw/zinc/17/48/56/685174856.db2.gz CDRLFRVGAHKNMF-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974651248 685174860 /nfs/dbraw/zinc/17/48/60/685174860.db2.gz CDRLFRVGAHKNMF-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974651248 685174864 /nfs/dbraw/zinc/17/48/64/685174864.db2.gz CDRLFRVGAHKNMF-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974651248 685174867 /nfs/dbraw/zinc/17/48/67/685174867.db2.gz CDRLFRVGAHKNMF-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)CC1(C)C ZINC000974683047 685231106 /nfs/dbraw/zinc/23/11/06/685231106.db2.gz BFWDINFTTAETHD-DLBZAZTESA-N 2 2 345.512 2.172 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)CC1(C)C ZINC000974683047 685231109 /nfs/dbraw/zinc/23/11/09/685231109.db2.gz BFWDINFTTAETHD-DLBZAZTESA-N 2 2 345.512 2.172 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccsc2)CC1(C)C ZINC000974683047 685231112 /nfs/dbraw/zinc/23/11/12/685231112.db2.gz BFWDINFTTAETHD-DLBZAZTESA-N 2 2 345.512 2.172 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccsc2)CC1(C)C ZINC000974683047 685231114 /nfs/dbraw/zinc/23/11/14/685231114.db2.gz BFWDINFTTAETHD-DLBZAZTESA-N 2 2 345.512 2.172 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800770 687721191 /nfs/dbraw/zinc/72/11/91/687721191.db2.gz NBXKPXTURMCZEY-SFHVURJKSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800770 687721194 /nfs/dbraw/zinc/72/11/94/687721194.db2.gz NBXKPXTURMCZEY-SFHVURJKSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565202 689840355 /nfs/dbraw/zinc/84/03/55/689840355.db2.gz DOQMVMFTJJZDCM-HOCLYGCPSA-N 2 2 333.501 2.261 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565202 689840358 /nfs/dbraw/zinc/84/03/58/689840358.db2.gz DOQMVMFTJJZDCM-HOCLYGCPSA-N 2 2 333.501 2.261 20 30 EEEDLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)c1 ZINC001482545143 1186638977 /nfs/dbraw/zinc/63/89/77/1186638977.db2.gz NSZOLTUWJKDBBR-SFHVURJKSA-N 2 2 339.443 2.075 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001088432197 1186872637 /nfs/dbraw/zinc/87/26/37/1186872637.db2.gz OMVVLAGDBQFUDL-MSOLQXFVSA-N 2 2 330.476 2.231 20 30 EEEDLP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001105446158 1187195203 /nfs/dbraw/zinc/19/52/03/1187195203.db2.gz FWGRBBPQCPUGIH-MSEWRSJXSA-N 2 2 338.455 2.253 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046859 1188684190 /nfs/dbraw/zinc/68/41/90/1188684190.db2.gz POUMOVCCHUEUTR-XJKSGUPXSA-N 2 2 330.819 2.233 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046859 1188684192 /nfs/dbraw/zinc/68/41/92/1188684192.db2.gz POUMOVCCHUEUTR-XJKSGUPXSA-N 2 2 330.819 2.233 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034015436 1195636903 /nfs/dbraw/zinc/63/69/03/1195636903.db2.gz OIIIQIYHWVQKEY-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034015436 1195636906 /nfs/dbraw/zinc/63/69/06/1195636906.db2.gz OIIIQIYHWVQKEY-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277086 1196035231 /nfs/dbraw/zinc/03/52/31/1196035231.db2.gz UYBXEAKVJOUVNS-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277086 1196035232 /nfs/dbraw/zinc/03/52/32/1196035232.db2.gz UYBXEAKVJOUVNS-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCCCCC1 ZINC000125880371 1199583665 /nfs/dbraw/zinc/58/36/65/1199583665.db2.gz KDUUVLMOPOFWBS-SFHVURJKSA-N 2 2 330.476 2.078 20 30 EEEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCCCCC1 ZINC000125880371 1199583670 /nfs/dbraw/zinc/58/36/70/1199583670.db2.gz KDUUVLMOPOFWBS-SFHVURJKSA-N 2 2 330.476 2.078 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132838802 1200081975 /nfs/dbraw/zinc/08/19/75/1200081975.db2.gz JSDHJDPUMOLSHM-HZPDHXFCSA-N 2 2 330.476 2.022 20 30 EEEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001133012235 1200333271 /nfs/dbraw/zinc/33/32/71/1200333271.db2.gz PRXRBCSKUZZRDC-AEFFLSMTSA-N 2 2 336.439 2.193 20 30 EEEDLP N#CCCCC[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001274042966 1204343039 /nfs/dbraw/zinc/34/30/39/1204343039.db2.gz LBWZEIXXZMAFGC-GOSISDBHSA-N 2 2 329.448 2.034 20 30 EEEDLP N#CCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001274042966 1204343044 /nfs/dbraw/zinc/34/30/44/1204343044.db2.gz LBWZEIXXZMAFGC-GOSISDBHSA-N 2 2 329.448 2.034 20 30 EEEDLP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)n[nH]1 ZINC001275209673 1205282524 /nfs/dbraw/zinc/28/25/24/1205282524.db2.gz YXEVAEDNPXBWQS-UHFFFAOYSA-N 2 2 338.459 2.026 20 30 EEEDLP C#CCN1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1=O ZINC001275542120 1205403416 /nfs/dbraw/zinc/40/34/16/1205403416.db2.gz UGOMSVLKENLHHG-UHFFFAOYSA-N 2 2 348.450 2.320 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015287887 1225038021 /nfs/dbraw/zinc/03/80/21/1225038021.db2.gz BGUMRHYZFSGRCM-SFHVURJKSA-N 2 2 345.406 2.210 20 30 EEEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015287887 1225038027 /nfs/dbraw/zinc/03/80/27/1225038027.db2.gz BGUMRHYZFSGRCM-SFHVURJKSA-N 2 2 345.406 2.210 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187563 1217076950 /nfs/dbraw/zinc/07/69/50/1217076950.db2.gz LXLFYWJREXONEM-JKSUJKDBSA-N 2 2 336.439 2.370 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187563 1217076954 /nfs/dbraw/zinc/07/69/54/1217076954.db2.gz 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C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947335018 790974511 /nfs/dbraw/zinc/97/45/11/790974511.db2.gz XFNPOSWUWNXQKW-CVEARBPZSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947335018 790974503 /nfs/dbraw/zinc/97/45/03/790974503.db2.gz XFNPOSWUWNXQKW-CVEARBPZSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035836788 785258325 /nfs/dbraw/zinc/25/83/25/785258325.db2.gz IXRXGGAEGIETLB-UHFFFAOYSA-N 2 2 348.878 2.438 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895573 786813297 /nfs/dbraw/zinc/81/32/97/786813297.db2.gz FESWGYLNNYESBH-LHHMISFZSA-N 2 2 328.460 2.006 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895573 786813306 /nfs/dbraw/zinc/81/33/06/786813306.db2.gz FESWGYLNNYESBH-LHHMISFZSA-N 2 2 328.460 2.006 20 30 EEEDLP 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C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998125783 792017079 /nfs/dbraw/zinc/01/70/79/792017079.db2.gz KFFCNMJUILLEMJ-GVDBMIGSSA-N 2 2 330.476 2.413 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998308159 792539265 /nfs/dbraw/zinc/53/92/65/792539265.db2.gz YIYMRLNTLQLTTF-TZMCWYRMSA-N 2 2 344.381 2.206 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC001086930450 793061438 /nfs/dbraw/zinc/06/14/38/793061438.db2.gz IMJCEROHASEWJH-SJORKVTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000999186471 793972559 /nfs/dbraw/zinc/97/25/59/793972559.db2.gz OZQNMMWHEQTPDN-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106308946 795382740 /nfs/dbraw/zinc/38/27/40/795382740.db2.gz IWGKALGTLJMMEH-NVXWUHKLSA-N 2 2 331.460 2.283 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993636387 796858275 /nfs/dbraw/zinc/85/82/75/796858275.db2.gz PHOAPDKTVLZDHI-VQIMIIECSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993636387 796858280 /nfs/dbraw/zinc/85/82/80/796858280.db2.gz PHOAPDKTVLZDHI-VQIMIIECSA-N 2 2 336.439 2.478 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820326 797026097 /nfs/dbraw/zinc/02/60/97/797026097.db2.gz WOMJPXQECFDSTI-DLBZAZTESA-N 2 2 345.512 2.309 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820326 797026105 /nfs/dbraw/zinc/02/61/05/797026105.db2.gz WOMJPXQECFDSTI-DLBZAZTESA-N 2 2 345.512 2.309 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cn3cccc(C)c3[nH+]1)C2 ZINC001095014201 797217588 /nfs/dbraw/zinc/21/75/88/797217588.db2.gz GOYCAXJNZCIDCF-JZXOWHBKSA-N 2 2 338.455 2.340 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994408004 797959799 /nfs/dbraw/zinc/95/97/99/797959799.db2.gz MKQZSYVXWJKNES-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994408004 797959805 /nfs/dbraw/zinc/95/98/05/797959805.db2.gz MKQZSYVXWJKNES-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001176829819 798590492 /nfs/dbraw/zinc/59/04/92/798590492.db2.gz QUSFPHAMBVPXLX-MRXNPFEDSA-N 2 2 339.443 2.220 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001179689942 800038851 /nfs/dbraw/zinc/03/88/51/800038851.db2.gz SQLYZPDRLBCUOA-UHFFFAOYSA-N 2 2 345.472 2.352 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003955804 800616745 /nfs/dbraw/zinc/61/67/45/800616745.db2.gz PEJFUBDXRDHBSR-UHFFFAOYSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182579248 801253306 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332.492 2.086 20 30 EEEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651363 802116421 /nfs/dbraw/zinc/11/64/21/802116421.db2.gz DNFNGCKKNHYPGL-DOTOQJQBSA-N 2 2 330.476 2.024 20 30 EEEDLP C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001098406914 802159679 /nfs/dbraw/zinc/15/96/79/802159679.db2.gz ZLYUECAOKOANQK-UHFFFAOYSA-N 2 2 342.443 2.038 20 30 EEEDLP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001098406914 802159682 /nfs/dbraw/zinc/15/96/82/802159682.db2.gz ZLYUECAOKOANQK-UHFFFAOYSA-N 2 2 342.443 2.038 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001006284653 802194987 /nfs/dbraw/zinc/19/49/87/802194987.db2.gz RAKRRJQAKFJMPP-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001131653160 813084287 /nfs/dbraw/zinc/08/42/87/813084287.db2.gz QDWYOTWZFFGGHS-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001131653160 813084297 /nfs/dbraw/zinc/08/42/97/813084297.db2.gz QDWYOTWZFFGGHS-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001440704841 1093953776 /nfs/dbraw/zinc/95/37/76/1093953776.db2.gz DCPYQJZWHFMEPY-UHFFFAOYSA-N 2 2 338.883 2.276 20 30 EEEDLP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001440704841 1093953777 /nfs/dbraw/zinc/95/37/77/1093953777.db2.gz DCPYQJZWHFMEPY-UHFFFAOYSA-N 2 2 338.883 2.276 20 30 EEEDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000247687020 160331439 /nfs/dbraw/zinc/33/14/39/160331439.db2.gz SFTIXMOALBRDOH-AYOQOUSVSA-N 2 2 349.438 2.443 20 30 EEEDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000247687020 160331440 /nfs/dbraw/zinc/33/14/40/160331440.db2.gz SFTIXMOALBRDOH-AYOQOUSVSA-N 2 2 349.438 2.443 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cc(C#N)n(C)c3)CCC[NH+]2C)cn1 ZINC000364587184 165198129 /nfs/dbraw/zinc/19/81/29/165198129.db2.gz AXOZFGADADSWIR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cc(C#N)n(C)c3)CCC[NH+]2C)cn1 ZINC000364587184 165198131 /nfs/dbraw/zinc/19/81/31/165198131.db2.gz AXOZFGADADSWIR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc(C#N)n(C)c3)CCC[N@@H+]2C)cn1 ZINC000364587184 165198132 /nfs/dbraw/zinc/19/81/32/165198132.db2.gz AXOZFGADADSWIR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc(C#N)n(C)c3)CCC[N@H+]2C)cn1 ZINC000364587184 165198135 /nfs/dbraw/zinc/19/81/35/165198135.db2.gz AXOZFGADADSWIR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000375747804 167184503 /nfs/dbraw/zinc/18/45/03/167184503.db2.gz WNXOSGPPQAZVEF-AWEZNQCLSA-N 2 2 346.862 2.110 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000375747804 167184506 /nfs/dbraw/zinc/18/45/06/167184506.db2.gz WNXOSGPPQAZVEF-AWEZNQCLSA-N 2 2 346.862 2.110 20 30 EEEDLP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000328799791 465133364 /nfs/dbraw/zinc/13/33/64/465133364.db2.gz XWMKZOOZVIWIRN-INIZCTEOSA-N 2 2 345.491 2.297 20 30 EEEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCn3c[nH+]cc3C1)CCC2 ZINC000590599129 468283746 /nfs/dbraw/zinc/28/37/46/468283746.db2.gz ILNWZQDVMHCFJV-UHFFFAOYSA-N 2 2 341.440 2.149 20 30 EEEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCn3c[nH+]cc3C1)CCC2 ZINC000590599129 468283748 /nfs/dbraw/zinc/28/37/48/468283748.db2.gz ILNWZQDVMHCFJV-UHFFFAOYSA-N 2 2 341.440 2.149 20 30 EEEDLP N#Cc1cnc2ccccc2c1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000130923992 462784289 /nfs/dbraw/zinc/78/42/89/462784289.db2.gz GZQZCJQZBCXIBT-UHFFFAOYSA-N 2 2 332.411 2.125 20 30 EEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000134860048 463087939 /nfs/dbraw/zinc/08/79/39/463087939.db2.gz RKOGIAWBYRVJJP-SJLPKXTDSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000134860048 463087941 /nfs/dbraw/zinc/08/79/41/463087941.db2.gz RKOGIAWBYRVJJP-SJLPKXTDSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000134860048 463087944 /nfs/dbraw/zinc/08/79/44/463087944.db2.gz RKOGIAWBYRVJJP-SJLPKXTDSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000134860048 463087948 /nfs/dbraw/zinc/08/79/48/463087948.db2.gz RKOGIAWBYRVJJP-SJLPKXTDSA-N 2 2 344.503 2.278 20 30 EEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N(C)Cc1ccon1 ZINC000261694399 463830012 /nfs/dbraw/zinc/83/00/12/463830012.db2.gz FMFSGYYRTPWNEK-ZDUSSCGKSA-N 2 2 347.488 2.190 20 30 EEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N(C)Cc1ccon1 ZINC000261694399 463830016 /nfs/dbraw/zinc/83/00/16/463830016.db2.gz FMFSGYYRTPWNEK-ZDUSSCGKSA-N 2 2 347.488 2.190 20 30 EEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000265634366 464625746 /nfs/dbraw/zinc/62/57/46/464625746.db2.gz GVFYJSHJITZISA-LJQANCHMSA-N 2 2 340.471 2.125 20 30 EEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000265634366 464625753 /nfs/dbraw/zinc/62/57/53/464625753.db2.gz GVFYJSHJITZISA-LJQANCHMSA-N 2 2 340.471 2.125 20 30 EEEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NCC1CC[NH+](C2CC2)CC1 ZINC000330246585 465585300 /nfs/dbraw/zinc/58/53/00/465585300.db2.gz FEZVKCBCYHVYPE-UHFFFAOYSA-N 2 2 331.464 2.097 20 30 EEEDLP N#Cc1csc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344522804 465639882 /nfs/dbraw/zinc/63/98/82/465639882.db2.gz IBZXBKPSJBQCRU-SFHVURJKSA-N 2 2 327.453 2.346 20 30 EEEDLP N#Cc1csc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344522804 465639891 /nfs/dbraw/zinc/63/98/91/465639891.db2.gz IBZXBKPSJBQCRU-SFHVURJKSA-N 2 2 327.453 2.346 20 30 EEEDLP C=CC[N@H+](CCc1ccco1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497134365 467851105 /nfs/dbraw/zinc/85/11/05/467851105.db2.gz RAQXXUARNPKWLL-IBGZPJMESA-N 2 2 345.443 2.184 20 30 EEEDLP C=CC[N@@H+](CCc1ccco1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497134365 467851106 /nfs/dbraw/zinc/85/11/06/467851106.db2.gz RAQXXUARNPKWLL-IBGZPJMESA-N 2 2 345.443 2.184 20 30 EEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(F)(F)F ZINC000601153397 468762573 /nfs/dbraw/zinc/76/25/73/468762573.db2.gz NAWWIAANJRTOEB-MLGOLLRUSA-N 2 2 341.377 2.424 20 30 EEEDLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](C)C#N ZINC000602446958 469320377 /nfs/dbraw/zinc/32/03/77/469320377.db2.gz JCDDGVNDLBUGMX-KRWDZBQOSA-N 2 2 331.460 2.379 20 30 EEEDLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](C)C#N ZINC000602446958 469320380 /nfs/dbraw/zinc/32/03/80/469320380.db2.gz JCDDGVNDLBUGMX-KRWDZBQOSA-N 2 2 331.460 2.379 20 30 EEEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000609157483 469898621 /nfs/dbraw/zinc/89/86/21/469898621.db2.gz VAUDTZAPADENRR-SFHVURJKSA-N 2 2 337.427 2.467 20 30 EEEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000609157483 469898623 /nfs/dbraw/zinc/89/86/23/469898623.db2.gz VAUDTZAPADENRR-SFHVURJKSA-N 2 2 337.427 2.467 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000609258417 469907184 /nfs/dbraw/zinc/90/71/84/469907184.db2.gz ULNFOVNCDVNHJK-ROUUACIJSA-N 2 2 335.411 2.197 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000609258417 469907187 /nfs/dbraw/zinc/90/71/87/469907187.db2.gz ULNFOVNCDVNHJK-ROUUACIJSA-N 2 2 335.411 2.197 20 30 EEEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCC[NH2+]1 ZINC000662662672 472192344 /nfs/dbraw/zinc/19/23/44/472192344.db2.gz BQWIQHHFFLPNFS-HXUWFJFHSA-N 2 2 327.472 2.338 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000171741246 526432520 /nfs/dbraw/zinc/43/25/20/526432520.db2.gz RBYDRKFTSFVEMP-UHFFFAOYSA-N 2 2 331.464 2.223 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411164380 527648016 /nfs/dbraw/zinc/64/80/16/527648016.db2.gz MECLZLSNICCNJK-IEBWSBKVSA-N 2 2 327.472 2.440 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411164380 527648019 /nfs/dbraw/zinc/64/80/19/527648019.db2.gz MECLZLSNICCNJK-IEBWSBKVSA-N 2 2 327.472 2.440 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000264138843 537117109 /nfs/dbraw/zinc/11/71/09/537117109.db2.gz ATASQDUIWUXXPM-UHFFFAOYSA-N 2 2 338.411 2.163 20 30 EEEDLP C#CCCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000766741382 577524226 /nfs/dbraw/zinc/52/42/26/577524226.db2.gz HQWABXAYCQOCLM-UHFFFAOYSA-N 2 2 328.460 2.106 20 30 EEEDLP C#CCCCO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000766741382 577524227 /nfs/dbraw/zinc/52/42/27/577524227.db2.gz HQWABXAYCQOCLM-UHFFFAOYSA-N 2 2 328.460 2.106 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724087 676382792 /nfs/dbraw/zinc/38/27/92/676382792.db2.gz IZDPWNOBEFSYND-SJLPKXTDSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724087 676382794 /nfs/dbraw/zinc/38/27/94/676382794.db2.gz IZDPWNOBEFSYND-SJLPKXTDSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025242542 682309761 /nfs/dbraw/zinc/30/97/61/682309761.db2.gz JJPKHDXDOOXMCS-MSOLQXFVSA-N 2 2 342.487 2.405 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025242542 682309766 /nfs/dbraw/zinc/30/97/66/682309766.db2.gz JJPKHDXDOOXMCS-MSOLQXFVSA-N 2 2 342.487 2.405 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001025246775 682315751 /nfs/dbraw/zinc/31/57/51/682315751.db2.gz ZGYDWSWLIJZADR-QZTJIDSGSA-N 2 2 346.475 2.381 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251589 682331574 /nfs/dbraw/zinc/33/15/74/682331574.db2.gz JNSFMQNAIVGDAY-IRXDYDNUSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251589 682331576 /nfs/dbraw/zinc/33/15/76/682331576.db2.gz JNSFMQNAIVGDAY-IRXDYDNUSA-N 2 2 330.476 2.384 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293610 682403384 /nfs/dbraw/zinc/40/33/84/682403384.db2.gz SHOXQJLXLCJKQO-MSOLQXFVSA-N 2 2 328.460 2.129 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293610 682403385 /nfs/dbraw/zinc/40/33/85/682403385.db2.gz SHOXQJLXLCJKQO-MSOLQXFVSA-N 2 2 328.460 2.129 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001027421058 688059194 /nfs/dbraw/zinc/05/91/94/688059194.db2.gz ILPMJLNXQWYKDO-KRWDZBQOSA-N 2 2 330.476 2.261 20 30 EEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001027421058 688059199 /nfs/dbraw/zinc/05/91/99/688059199.db2.gz ILPMJLNXQWYKDO-KRWDZBQOSA-N 2 2 330.476 2.261 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986567319 688720992 /nfs/dbraw/zinc/72/09/92/688720992.db2.gz AQDVJLXMQNNPAS-ZIAGYGMSSA-N 2 2 336.867 2.093 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598676 693395972 /nfs/dbraw/zinc/39/59/72/693395972.db2.gz YHRQMACPUSKCTL-AWEZNQCLSA-N 2 2 343.456 2.008 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598676 693395978 /nfs/dbraw/zinc/39/59/78/693395978.db2.gz YHRQMACPUSKCTL-AWEZNQCLSA-N 2 2 343.456 2.008 20 30 EEEDLP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001105467737 1187537088 /nfs/dbraw/zinc/53/70/88/1187537088.db2.gz BTGDFGRGIKRVKY-UHFFFAOYSA-N 2 2 346.475 2.048 20 30 EEEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537327 1188847592 /nfs/dbraw/zinc/84/75/92/1188847592.db2.gz BFSTVWQGDBKVSP-AOIWGVFYSA-N 2 2 328.460 2.076 20 30 EEEDLP C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001485067590 1191635490 /nfs/dbraw/zinc/63/54/90/1191635490.db2.gz QMCRLXFHHKRTDZ-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001485067590 1191635492 /nfs/dbraw/zinc/63/54/92/1191635492.db2.gz QMCRLXFHHKRTDZ-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC#Cc2ccccc2)C1 ZINC001034129251 1195825364 /nfs/dbraw/zinc/82/53/64/1195825364.db2.gz AGYBNIDNAAVRRO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC#Cc2ccccc2)C1 ZINC001034129251 1195825367 /nfs/dbraw/zinc/82/53/67/1195825367.db2.gz AGYBNIDNAAVRRO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034129251 1195825370 /nfs/dbraw/zinc/82/53/70/1195825370.db2.gz AGYBNIDNAAVRRO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034129251 1195825372 /nfs/dbraw/zinc/82/53/72/1195825372.db2.gz AGYBNIDNAAVRRO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403332 1199535972 /nfs/dbraw/zinc/53/59/72/1199535972.db2.gz MHNXCKUFAKEVRL-KBPBESRZSA-N 2 2 338.883 2.387 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC[C@@H]1C ZINC001133165267 1200538223 /nfs/dbraw/zinc/53/82/23/1200538223.db2.gz DOYKEWHIDSSXOH-DOTOQJQBSA-N 2 2 340.471 2.445 20 30 EEEDLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](CCCCC#N)CC2)C1=O ZINC001274043831 1204343501 /nfs/dbraw/zinc/34/35/01/1204343501.db2.gz VLAYOJOCSGATAC-IBGZPJMESA-N 2 2 343.475 2.319 20 30 EEEDLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](CCCCC#N)CC2)C1=O ZINC001274043831 1204343504 /nfs/dbraw/zinc/34/35/04/1204343504.db2.gz VLAYOJOCSGATAC-IBGZPJMESA-N 2 2 343.475 2.319 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947573099 1208626742 /nfs/dbraw/zinc/62/67/42/1208626742.db2.gz YMCFKQQZHLMYFK-WMZOPIPTSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947573099 1208626743 /nfs/dbraw/zinc/62/67/43/1208626743.db2.gz YMCFKQQZHLMYFK-WMZOPIPTSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878219 1208756842 /nfs/dbraw/zinc/75/68/42/1208756842.db2.gz MDTYLXQEHQHQEL-WMZOPIPTSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878219 1208756843 /nfs/dbraw/zinc/75/68/43/1208756843.db2.gz MDTYLXQEHQHQEL-WMZOPIPTSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767149 1209361402 /nfs/dbraw/zinc/36/14/02/1209361402.db2.gz QZNVBDWKZRGHCD-JKSUJKDBSA-N 2 2 328.460 2.166 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767149 1209361404 /nfs/dbraw/zinc/36/14/04/1209361404.db2.gz QZNVBDWKZRGHCD-JKSUJKDBSA-N 2 2 328.460 2.166 20 30 EEEDLP COc1cccc([C@H](CNC(=[NH2+])NCCc2ccccc2)[NH+](C)C)c1 ZINC000303779290 1213905350 /nfs/dbraw/zinc/90/53/50/1213905350.db2.gz KIODMPFDUQWCMF-IBGZPJMESA-N 2 2 340.471 2.445 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000961274343 1217122475 /nfs/dbraw/zinc/12/24/75/1217122475.db2.gz RKQOQHAQCNSHNI-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000961274343 1217122477 /nfs/dbraw/zinc/12/24/77/1217122477.db2.gz RKQOQHAQCNSHNI-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000961432241 1217187776 /nfs/dbraw/zinc/18/77/76/1217187776.db2.gz QDUXUKXWMSBEMD-QGZVFWFLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000961432241 1217187779 /nfs/dbraw/zinc/18/77/79/1217187779.db2.gz QDUXUKXWMSBEMD-QGZVFWFLSA-N 2 2 330.476 2.099 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963404030 1217600514 /nfs/dbraw/zinc/60/05/14/1217600514.db2.gz KUFJWGHHHYQYCR-MJGOQNOKSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963404030 1217600517 /nfs/dbraw/zinc/60/05/17/1217600517.db2.gz 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C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001098145204 1256925500 /nfs/dbraw/zinc/92/55/00/1256925500.db2.gz QZZQWLFLAVQHQN-QRVBRYPASA-N 2 2 334.423 2.231 20 30 EEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458849 1257786693 /nfs/dbraw/zinc/78/66/93/1257786693.db2.gz KHJUGOGRBRLLMW-OAGGEKHMSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458849 1257786698 /nfs/dbraw/zinc/78/66/98/1257786698.db2.gz KHJUGOGRBRLLMW-OAGGEKHMSA-N 2 2 325.884 2.336 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257437 1258044464 /nfs/dbraw/zinc/04/44/64/1258044464.db2.gz FMVPXWDDSBDRNO-MRXNPFEDSA-N 2 2 330.476 2.247 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257437 1258044474 /nfs/dbraw/zinc/04/44/74/1258044474.db2.gz FMVPXWDDSBDRNO-MRXNPFEDSA-N 2 2 330.476 2.247 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992431 1280611976 /nfs/dbraw/zinc/61/19/76/1280611976.db2.gz KPGCBRJFZZAKCP-SOLBZPMBSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992431 1280611987 /nfs/dbraw/zinc/61/19/87/1280611987.db2.gz KPGCBRJFZZAKCP-SOLBZPMBSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001192406073 1281975442 /nfs/dbraw/zinc/97/54/42/1281975442.db2.gz ADRJFPQYTNLCNG-SFHVURJKSA-N 2 2 349.906 2.446 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192406073 1281975446 /nfs/dbraw/zinc/97/54/46/1281975446.db2.gz ADRJFPQYTNLCNG-SFHVURJKSA-N 2 2 349.906 2.446 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406073 1281975450 /nfs/dbraw/zinc/97/54/50/1281975450.db2.gz ADRJFPQYTNLCNG-SFHVURJKSA-N 2 2 349.906 2.446 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406073 1281975456 /nfs/dbraw/zinc/97/54/56/1281975456.db2.gz ADRJFPQYTNLCNG-SFHVURJKSA-N 2 2 349.906 2.446 20 30 EEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001193433792 1282511933 /nfs/dbraw/zinc/51/19/33/1282511933.db2.gz VCXPJWABSBSIQP-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001193433792 1282511944 /nfs/dbraw/zinc/51/19/44/1282511944.db2.gz VCXPJWABSBSIQP-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP Cn1c[nH+]cc1CCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000853673629 1292436644 /nfs/dbraw/zinc/43/66/44/1292436644.db2.gz ZPRUTZQMQCBSGM-UHFFFAOYSA-N 2 2 327.432 2.290 20 30 EEEDLP C#C[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000854075234 1292610201 /nfs/dbraw/zinc/61/02/01/1292610201.db2.gz ZMQDBJOFAXCXNT-NEWSRXKRSA-N 2 2 348.535 2.377 20 30 EEEDLP C#C[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000854075234 1292610210 /nfs/dbraw/zinc/61/02/10/1292610210.db2.gz ZMQDBJOFAXCXNT-NEWSRXKRSA-N 2 2 348.535 2.377 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071870741 1294956097 /nfs/dbraw/zinc/95/60/97/1294956097.db2.gz CYSPBFFCOUFWKX-HOCLYGCPSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071870741 1294956103 /nfs/dbraw/zinc/95/61/03/1294956103.db2.gz CYSPBFFCOUFWKX-HOCLYGCPSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000446 1295096949 /nfs/dbraw/zinc/09/69/49/1295096949.db2.gz XDDNHVIDZXTEDP-ZIAGYGMSSA-N 2 2 336.867 2.483 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000446 1295096962 /nfs/dbraw/zinc/09/69/62/1295096962.db2.gz XDDNHVIDZXTEDP-ZIAGYGMSSA-N 2 2 336.867 2.483 20 30 EEEDLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cccc(C#N)c3)no2)CC1 ZINC001214673803 1296554042 /nfs/dbraw/zinc/55/40/42/1296554042.db2.gz HZKARSCHAITAGX-UHFFFAOYSA-N 2 2 346.394 2.422 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001227727229 1301943255 /nfs/dbraw/zinc/94/32/55/1301943255.db2.gz CTEJIKRSUULSAX-GUDVDZBRSA-N 2 2 349.519 2.080 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001227727229 1301943259 /nfs/dbraw/zinc/94/32/59/1301943259.db2.gz CTEJIKRSUULSAX-GUDVDZBRSA-N 2 2 349.519 2.080 20 30 EEEDLP C=CCCNC(=S)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001277401530 1302875980 /nfs/dbraw/zinc/87/59/80/1302875980.db2.gz MVBNNYUIXZUVSJ-MSOLQXFVSA-N 2 2 347.532 2.358 20 30 EEEDLP CC#CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115592138 1305465226 /nfs/dbraw/zinc/46/52/26/1305465226.db2.gz VHTRIQDTNMCKEW-UHFFFAOYSA-N 2 2 330.476 2.359 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ncc(C)cc2C)CC1 ZINC001238434148 1308868583 /nfs/dbraw/zinc/86/85/83/1308868583.db2.gz AUEWFQGMFFXAPA-UHFFFAOYSA-N 2 2 328.504 2.490 20 30 EEEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143169746 1315879102 /nfs/dbraw/zinc/87/91/02/1315879102.db2.gz PWZOVHUHPYTZHR-DLBZAZTESA-N 2 2 334.414 2.047 20 30 EEEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143169746 1315879107 /nfs/dbraw/zinc/87/91/07/1315879107.db2.gz PWZOVHUHPYTZHR-DLBZAZTESA-N 2 2 334.414 2.047 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001149895227 1316082008 /nfs/dbraw/zinc/08/20/08/1316082008.db2.gz GUQXPAXKALGTCD-MRXNPFEDSA-N 2 2 342.443 2.350 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001149895227 1316082014 /nfs/dbraw/zinc/08/20/14/1316082014.db2.gz GUQXPAXKALGTCD-MRXNPFEDSA-N 2 2 342.443 2.350 20 30 EEEDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254658228 1318156792 /nfs/dbraw/zinc/15/67/92/1318156792.db2.gz HMWFWSWBRRQHBS-LZLYRXPVSA-N 2 2 333.476 2.418 20 30 EEEDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254658228 1318156797 /nfs/dbraw/zinc/15/67/97/1318156797.db2.gz HMWFWSWBRRQHBS-LZLYRXPVSA-N 2 2 333.476 2.418 20 30 EEEDLP C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160951767 1320329863 /nfs/dbraw/zinc/32/98/63/1320329863.db2.gz OQAIENRMTTXREP-YSSFQJQWSA-N 2 2 348.450 2.337 20 30 EEEDLP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001161678469 1320585108 /nfs/dbraw/zinc/58/51/08/1320585108.db2.gz HCVRLXQVRYSOOW-UHFFFAOYSA-N 2 2 349.438 2.043 20 30 EEEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001161678469 1320585109 /nfs/dbraw/zinc/58/51/09/1320585109.db2.gz HCVRLXQVRYSOOW-UHFFFAOYSA-N 2 2 349.438 2.043 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4C#N)C[C@H]3C2)cn1 ZINC001204370752 1322132225 /nfs/dbraw/zinc/13/22/25/1322132225.db2.gz KGUINRUGHHRYBP-WOJBJXKFSA-N 2 2 335.455 2.246 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4C#N)C[C@H]3C2)cn1 ZINC001204370752 1322132227 /nfs/dbraw/zinc/13/22/27/1322132227.db2.gz KGUINRUGHHRYBP-WOJBJXKFSA-N 2 2 335.455 2.246 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]3C2)cn1 ZINC001204370752 1322132232 /nfs/dbraw/zinc/13/22/32/1322132232.db2.gz KGUINRUGHHRYBP-WOJBJXKFSA-N 2 2 335.455 2.246 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]3C2)cn1 ZINC001204370752 1322132236 /nfs/dbraw/zinc/13/22/36/1322132236.db2.gz KGUINRUGHHRYBP-WOJBJXKFSA-N 2 2 335.455 2.246 20 30 EEEDLP N#Cc1ccnc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001279606340 1323956374 /nfs/dbraw/zinc/95/63/74/1323956374.db2.gz NCJOZXWKJQFLHU-UHFFFAOYSA-N 2 2 349.438 2.152 20 30 EEEDLP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001353580948 1338292327 /nfs/dbraw/zinc/29/23/27/1338292327.db2.gz DUVWWGZTBXKIEC-UHFFFAOYSA-N 2 2 348.878 2.033 20 30 EEEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000799716375 1371676019 /nfs/dbraw/zinc/67/60/19/1371676019.db2.gz PSEQREVDOHUFPF-ZWKOTPCHSA-N 2 2 342.487 2.489 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001379657114 1380801471 /nfs/dbraw/zinc/80/14/71/1380801471.db2.gz PXVSAWRLVYJFCA-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001379657114 1380801458 /nfs/dbraw/zinc/80/14/58/1380801458.db2.gz PXVSAWRLVYJFCA-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001379657114 1380801463 /nfs/dbraw/zinc/80/14/63/1380801463.db2.gz PXVSAWRLVYJFCA-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001379657114 1380801466 /nfs/dbraw/zinc/80/14/66/1380801466.db2.gz PXVSAWRLVYJFCA-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)Cc1ccccc1C#N ZINC001380982043 1381479971 /nfs/dbraw/zinc/47/99/71/1381479971.db2.gz NZSIAQJEPHGQKH-UHFFFAOYSA-N 2 2 339.443 2.113 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C#N ZINC001380982043 1381479973 /nfs/dbraw/zinc/47/99/73/1381479973.db2.gz NZSIAQJEPHGQKH-UHFFFAOYSA-N 2 2 339.443 2.113 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001752431879 1406310768 /nfs/dbraw/zinc/31/07/68/1406310768.db2.gz PQWDURWVHZUEOS-KRWDZBQOSA-N 2 2 330.476 2.290 20 30 EEEDLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391935967 1389725106 /nfs/dbraw/zinc/72/51/06/1389725106.db2.gz YUQNEXKVEVVKLH-HOTGVXAUSA-N 2 2 339.443 2.248 20 30 EEEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001755368293 1407371733 /nfs/dbraw/zinc/37/17/33/1407371733.db2.gz OUTUGSNZWJNHLP-MOPGFXCFSA-N 2 2 327.472 2.283 20 30 EEEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001755368293 1407371741 /nfs/dbraw/zinc/37/17/41/1407371741.db2.gz OUTUGSNZWJNHLP-MOPGFXCFSA-N 2 2 327.472 2.283 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168026200 782340154 /nfs/dbraw/zinc/34/01/54/782340154.db2.gz LFARQYZADMOMBO-BORJPKMPSA-N 2 2 331.460 2.254 20 30 EEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271561 757610783 /nfs/dbraw/zinc/61/07/83/757610783.db2.gz XXOYCWFQBFZVMY-HZPDHXFCSA-N 2 2 330.476 2.366 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649474 773778239 /nfs/dbraw/zinc/77/82/39/773778239.db2.gz JRSYFRPBVPXYCS-HZPDHXFCSA-N 2 2 328.460 2.001 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649474 773778242 /nfs/dbraw/zinc/77/82/42/773778242.db2.gz JRSYFRPBVPXYCS-HZPDHXFCSA-N 2 2 328.460 2.001 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027889429 774063647 /nfs/dbraw/zinc/06/36/47/774063647.db2.gz UBNYBSHBVWGXKU-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027889429 774063652 /nfs/dbraw/zinc/06/36/52/774063652.db2.gz UBNYBSHBVWGXKU-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028094384 777428676 /nfs/dbraw/zinc/42/86/76/777428676.db2.gz YOFZESXMOVVJOU-JKSUJKDBSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028094384 777428677 /nfs/dbraw/zinc/42/86/77/777428677.db2.gz YOFZESXMOVVJOU-JKSUJKDBSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028094384 777428681 /nfs/dbraw/zinc/42/86/81/777428681.db2.gz YOFZESXMOVVJOU-JKSUJKDBSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028094384 777428685 /nfs/dbraw/zinc/42/86/85/777428685.db2.gz YOFZESXMOVVJOU-JKSUJKDBSA-N 2 2 327.900 2.442 20 30 EEEDLP N#Cc1ccc(Oc2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)cc1 ZINC001211755578 780864698 /nfs/dbraw/zinc/86/46/98/780864698.db2.gz TXRUPHQVFPGQGP-IRXDYDNUSA-N 2 2 347.378 2.415 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087523130 781665588 /nfs/dbraw/zinc/66/55/88/781665588.db2.gz KZCGEJNFUUBENI-BBWFWOEESA-N 2 2 346.500 2.183 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087523130 781665590 /nfs/dbraw/zinc/66/55/90/781665590.db2.gz KZCGEJNFUUBENI-BBWFWOEESA-N 2 2 346.500 2.183 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087523130 781665594 /nfs/dbraw/zinc/66/55/94/781665594.db2.gz KZCGEJNFUUBENI-BBWFWOEESA-N 2 2 346.500 2.183 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087523130 781665597 /nfs/dbraw/zinc/66/55/97/781665597.db2.gz KZCGEJNFUUBENI-BBWFWOEESA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135773948 784400888 /nfs/dbraw/zinc/40/08/88/784400888.db2.gz CVHUZFVQPPUVGS-GJZGRUSLSA-N 2 2 342.418 2.016 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035377114 784451746 /nfs/dbraw/zinc/45/17/46/784451746.db2.gz ZVOUHWZIFFKNFQ-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035377114 784451749 /nfs/dbraw/zinc/45/17/49/784451749.db2.gz ZVOUHWZIFFKNFQ-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001035377114 784451755 /nfs/dbraw/zinc/45/17/55/784451755.db2.gz ZVOUHWZIFFKNFQ-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001035377114 784451761 /nfs/dbraw/zinc/45/17/61/784451761.db2.gz ZVOUHWZIFFKNFQ-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853566 784607660 /nfs/dbraw/zinc/60/76/60/784607660.db2.gz ZMSMXLXUGBNKBB-GJZGRUSLSA-N 2 2 327.432 2.330 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CC(=C)Cl)C3)CC2)CC1 ZINC001035856104 785295419 /nfs/dbraw/zinc/29/54/19/785295419.db2.gz IFHBUTJNONIGMI-UHFFFAOYSA-N 2 2 349.906 2.009 20 30 EEEDLP C#Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)cc1 ZINC001144569529 789949359 /nfs/dbraw/zinc/94/93/59/789949359.db2.gz SYIWCJGUONXYMQ-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)cc1 ZINC001144569529 789949361 /nfs/dbraw/zinc/94/93/61/789949361.db2.gz SYIWCJGUONXYMQ-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001144569529 789949364 /nfs/dbraw/zinc/94/93/64/789949364.db2.gz SYIWCJGUONXYMQ-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001144569529 789949367 /nfs/dbraw/zinc/94/93/67/789949367.db2.gz SYIWCJGUONXYMQ-OAQYLSRUSA-N 2 2 342.483 2.229 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001086942128 793034325 /nfs/dbraw/zinc/03/43/25/793034325.db2.gz JRDBAZLATQGKKG-CVEARBPZSA-N 2 2 340.471 2.166 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001093540978 795347952 /nfs/dbraw/zinc/34/79/52/795347952.db2.gz WWNFCIZBANRWQC-IBGZPJMESA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001093540978 795347964 /nfs/dbraw/zinc/34/79/64/795347964.db2.gz WWNFCIZBANRWQC-IBGZPJMESA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C12CCC2 ZINC001078780271 797001213 /nfs/dbraw/zinc/00/12/13/797001213.db2.gz JPRQKFDGTUGSLW-IRXDYDNUSA-N 2 2 337.427 2.084 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001094945498 797079864 /nfs/dbraw/zinc/07/98/64/797079864.db2.gz FFLNHFLKLVTMIL-UAGQMJEPSA-N 2 2 329.444 2.178 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001082517503 797573919 /nfs/dbraw/zinc/57/39/19/797573919.db2.gz QPDLUCFBAPVLHO-BRSBDYLESA-N 2 2 342.487 2.167 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994402547 797953460 /nfs/dbraw/zinc/95/34/60/797953460.db2.gz AHCSDTZTIASSQN-RHSMWYFYSA-N 2 2 346.500 2.185 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994402547 797953464 /nfs/dbraw/zinc/95/34/64/797953464.db2.gz AHCSDTZTIASSQN-RHSMWYFYSA-N 2 2 346.500 2.185 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=C)Cl)[C@H]2C)CC1 ZINC000994500925 798107125 /nfs/dbraw/zinc/10/71/25/798107125.db2.gz RUNXKNJIWAMBFM-RDJZCZTQSA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=C)Cl)[C@H]2C)CC1 ZINC000994500925 798107128 /nfs/dbraw/zinc/10/71/28/798107128.db2.gz RUNXKNJIWAMBFM-RDJZCZTQSA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001177419973 798935856 /nfs/dbraw/zinc/93/58/56/798935856.db2.gz YDMJFPCMFHWLMW-QZTJIDSGSA-N 2 2 342.487 2.155 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205944 801102729 /nfs/dbraw/zinc/10/27/29/801102729.db2.gz BLSQPRYLMVRDNF-BEFAXECRSA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205944 801102734 /nfs/dbraw/zinc/10/27/34/801102734.db2.gz BLSQPRYLMVRDNF-BEFAXECRSA-N 2 2 346.475 2.003 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782140 801244733 /nfs/dbraw/zinc/24/47/33/801244733.db2.gz OCABVUKOAOVDSA-RBUKOAKNSA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782140 801244738 /nfs/dbraw/zinc/24/47/38/801244738.db2.gz OCABVUKOAOVDSA-RBUKOAKNSA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782140 801244742 /nfs/dbraw/zinc/24/47/42/801244742.db2.gz OCABVUKOAOVDSA-RBUKOAKNSA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782140 801244750 /nfs/dbraw/zinc/24/47/50/801244750.db2.gz OCABVUKOAOVDSA-RBUKOAKNSA-N 2 2 331.504 2.340 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085906980 801604835 /nfs/dbraw/zinc/60/48/35/801604835.db2.gz WWBROQMURPVFPU-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085906980 801604838 /nfs/dbraw/zinc/60/48/38/801604838.db2.gz WWBROQMURPVFPU-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001184437335 802018180 /nfs/dbraw/zinc/01/81/80/802018180.db2.gz UQTVZCJKTUSHGX-IRXDYDNUSA-N 2 2 344.503 2.412 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004456327 802115484 /nfs/dbraw/zinc/11/54/84/802115484.db2.gz HMFDEZYUMCKABL-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004456327 802115492 /nfs/dbraw/zinc/11/54/92/802115492.db2.gz HMFDEZYUMCKABL-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004456327 802115498 /nfs/dbraw/zinc/11/54/98/802115498.db2.gz HMFDEZYUMCKABL-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004456327 802115503 /nfs/dbraw/zinc/11/55/03/802115503.db2.gz HMFDEZYUMCKABL-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004456837 802116671 /nfs/dbraw/zinc/11/66/71/802116671.db2.gz ILLFKXMSCGYUDX-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004456837 802116678 /nfs/dbraw/zinc/11/66/78/802116678.db2.gz ILLFKXMSCGYUDX-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004456837 802116682 /nfs/dbraw/zinc/11/66/82/802116682.db2.gz ILLFKXMSCGYUDX-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004456837 802116689 /nfs/dbraw/zinc/11/66/89/802116689.db2.gz ILLFKXMSCGYUDX-OALUTQOASA-N 2 2 346.519 2.476 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631302 802419333 /nfs/dbraw/zinc/41/93/33/802419333.db2.gz AVIWDDKFRHHEBL-QKPAOTATSA-N 2 2 348.878 2.436 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644529 802574653 /nfs/dbraw/zinc/57/46/53/802574653.db2.gz GEILTJNHOKNXIA-FGTMMUONSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644529 802574657 /nfs/dbraw/zinc/57/46/57/802574657.db2.gz GEILTJNHOKNXIA-FGTMMUONSA-N 2 2 342.487 2.192 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001438936266 1091619421 /nfs/dbraw/zinc/61/94/21/1091619421.db2.gz GLXMNAYGJBCEAV-IBGZPJMESA-N 2 2 342.487 2.323 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001438936266 1091619427 /nfs/dbraw/zinc/61/94/27/1091619427.db2.gz GLXMNAYGJBCEAV-IBGZPJMESA-N 2 2 342.487 2.323 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001438936266 1091619430 /nfs/dbraw/zinc/61/94/30/1091619430.db2.gz GLXMNAYGJBCEAV-IBGZPJMESA-N 2 2 342.487 2.323 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001447746744 1103223471 /nfs/dbraw/zinc/22/34/71/1103223471.db2.gz MOXVPOLDRLOFEW-ZDUSSCGKSA-N 2 2 340.855 2.073 20 30 EEEDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1C#N ZINC000565230894 319165057 /nfs/dbraw/zinc/16/50/57/319165057.db2.gz WTJZSBBTQFRYPU-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1C#N ZINC000565230894 319165059 /nfs/dbraw/zinc/16/50/59/319165059.db2.gz WTJZSBBTQFRYPU-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329301417 465292674 /nfs/dbraw/zinc/29/26/74/465292674.db2.gz WFDDDCDTTKTBJJ-BZUAXINKSA-N 2 2 331.464 2.091 20 30 EEEDLP CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590636546 468294461 /nfs/dbraw/zinc/29/44/61/468294461.db2.gz WIUHZWSQEVGIKJ-XLIONFOSSA-N 2 2 344.503 2.087 20 30 EEEDLP CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590636546 468294464 /nfs/dbraw/zinc/29/44/64/468294464.db2.gz WIUHZWSQEVGIKJ-XLIONFOSSA-N 2 2 344.503 2.087 20 30 EEEDLP C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843799 462857542 /nfs/dbraw/zinc/85/75/42/462857542.db2.gz FRBFKHCRVRJOKP-QGZVFWFLSA-N 2 2 328.460 2.207 20 30 EEEDLP C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843799 462857544 /nfs/dbraw/zinc/85/75/44/462857544.db2.gz FRBFKHCRVRJOKP-QGZVFWFLSA-N 2 2 328.460 2.207 20 30 EEEDLP C[NH+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843799 462857546 /nfs/dbraw/zinc/85/75/46/462857546.db2.gz FRBFKHCRVRJOKP-QGZVFWFLSA-N 2 2 328.460 2.207 20 30 EEEDLP C[NH+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843799 462857549 /nfs/dbraw/zinc/85/75/49/462857549.db2.gz FRBFKHCRVRJOKP-QGZVFWFLSA-N 2 2 328.460 2.207 20 30 EEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000568466322 468339427 /nfs/dbraw/zinc/33/94/27/468339427.db2.gz BKUAMWOPNBAFDM-MOPGFXCFSA-N 2 2 326.444 2.311 20 30 EEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000568466322 468339431 /nfs/dbraw/zinc/33/94/31/468339431.db2.gz BKUAMWOPNBAFDM-MOPGFXCFSA-N 2 2 326.444 2.311 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000170908847 463739338 /nfs/dbraw/zinc/73/93/38/463739338.db2.gz NOFHPDCFSGUBKO-UHFFFAOYSA-N 2 2 335.411 2.485 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186351200 463982305 /nfs/dbraw/zinc/98/23/05/463982305.db2.gz XIMVLLQCFKAMTQ-INIZCTEOSA-N 2 2 328.460 2.105 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000271748525 464371476 /nfs/dbraw/zinc/37/14/76/464371476.db2.gz XDBLAZDQBBBUPW-INIZCTEOSA-N 2 2 333.480 2.260 20 30 EEEDLP CN(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1(C#N)CCCCC1 ZINC000265555334 464600201 /nfs/dbraw/zinc/60/02/01/464600201.db2.gz ZQJIWMLSRIUGEU-UHFFFAOYSA-N 2 2 329.448 2.274 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285687719 464659380 /nfs/dbraw/zinc/65/93/80/464659380.db2.gz OGXYMKNRRIYBNH-INIZCTEOSA-N 2 2 334.464 2.041 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285687719 464659386 /nfs/dbraw/zinc/65/93/86/464659386.db2.gz OGXYMKNRRIYBNH-INIZCTEOSA-N 2 2 334.464 2.041 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285687719 464659390 /nfs/dbraw/zinc/65/93/90/464659390.db2.gz OGXYMKNRRIYBNH-INIZCTEOSA-N 2 2 334.464 2.041 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285687719 464659391 /nfs/dbraw/zinc/65/93/91/464659391.db2.gz OGXYMKNRRIYBNH-INIZCTEOSA-N 2 2 334.464 2.041 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275709 465526522 /nfs/dbraw/zinc/52/65/22/465526522.db2.gz KLFGKLFCFZHOHK-AEFFLSMTSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275709 465526526 /nfs/dbraw/zinc/52/65/26/465526526.db2.gz KLFGKLFCFZHOHK-AEFFLSMTSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348275709 465526531 /nfs/dbraw/zinc/52/65/31/465526531.db2.gz KLFGKLFCFZHOHK-AEFFLSMTSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275709 465526534 /nfs/dbraw/zinc/52/65/34/465526534.db2.gz KLFGKLFCFZHOHK-AEFFLSMTSA-N 2 2 346.519 2.381 20 30 EEEDLP COc1ccc([C@@H]([NH2+]C2CCN(CC#N)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000591570959 468484612 /nfs/dbraw/zinc/48/46/12/468484612.db2.gz LECBNMRCGJCYOF-RTBURBONSA-N 2 2 328.460 2.066 20 30 EEEDLP C[C@@H](c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1)[NH+]1CCOCC1 ZINC000424141511 466988760 /nfs/dbraw/zinc/98/87/60/466988760.db2.gz CSGDNGIOEHQZIL-YOEHRIQHSA-N 2 2 330.432 2.039 20 30 EEEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000433032328 467285845 /nfs/dbraw/zinc/28/58/45/467285845.db2.gz AIEVMYXGLVQFDY-LFGUQSLTSA-N 2 2 345.487 2.481 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000566429477 468152290 /nfs/dbraw/zinc/15/22/90/468152290.db2.gz VZMREOYCBGYQKV-SFHVURJKSA-N 2 2 328.460 2.180 20 30 EEEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)n1 ZINC000602662161 468996340 /nfs/dbraw/zinc/99/63/40/468996340.db2.gz NLSMZGYJSRHYKB-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)n1 ZINC000602662161 468996343 /nfs/dbraw/zinc/99/63/43/468996343.db2.gz NLSMZGYJSRHYKB-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc4cnccn34)CC2)c1 ZINC000593692311 469098701 /nfs/dbraw/zinc/09/87/01/469098701.db2.gz ASCDCSMDJBGOMJ-UHFFFAOYSA-N 2 2 346.438 2.355 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000171723861 526435978 /nfs/dbraw/zinc/43/59/78/526435978.db2.gz OLMXWTHQUOOAAS-UHFFFAOYSA-N 2 2 339.443 2.322 20 30 EEEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@@H+]1Cc1ccccc1 ZINC000753933163 577796477 /nfs/dbraw/zinc/79/64/77/577796477.db2.gz BOMNTRDFQRKDFG-JLSDUUJJSA-N 2 2 325.460 2.497 20 30 EEEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@H+]1Cc1ccccc1 ZINC000753933163 577796478 /nfs/dbraw/zinc/79/64/78/577796478.db2.gz BOMNTRDFQRKDFG-JLSDUUJJSA-N 2 2 325.460 2.497 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000743320482 577883068 /nfs/dbraw/zinc/88/30/68/577883068.db2.gz RHHBHIHXSUICMV-UHFFFAOYSA-N 2 2 339.439 2.276 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000969910901 675300805 /nfs/dbraw/zinc/30/08/05/675300805.db2.gz LKKIWCOWLDBBIT-IAGOWNOFSA-N 2 2 349.438 2.092 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970022272 675395442 /nfs/dbraw/zinc/39/54/42/675395442.db2.gz YTUJYNVNVPJIPH-GOEBONIOSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970022272 675395444 /nfs/dbraw/zinc/39/54/44/675395444.db2.gz YTUJYNVNVPJIPH-GOEBONIOSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970396318 675850423 /nfs/dbraw/zinc/85/04/23/675850423.db2.gz QWQTVRHCHGRXDU-OAHLLOKOSA-N 2 2 330.819 2.429 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724085 676382670 /nfs/dbraw/zinc/38/26/70/676382670.db2.gz IZDPWNOBEFSYND-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724085 676382671 /nfs/dbraw/zinc/38/26/71/676382671.db2.gz IZDPWNOBEFSYND-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1ccc(Br)s1 ZINC000261835602 681655278 /nfs/dbraw/zinc/65/52/78/681655278.db2.gz LDLVBPWXKZIEGE-UHFFFAOYSA-N 2 2 345.310 2.224 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028546200 681890273 /nfs/dbraw/zinc/89/02/73/681890273.db2.gz QYBKHFPTYFQVBK-KZNAEPCWSA-N 2 2 342.487 2.168 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028546200 681890283 /nfs/dbraw/zinc/89/02/83/681890283.db2.gz QYBKHFPTYFQVBK-KZNAEPCWSA-N 2 2 342.487 2.168 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296849 682410910 /nfs/dbraw/zinc/41/09/10/682410910.db2.gz LSSVSVUQMGHFEF-ZWKOTPCHSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296849 682410912 /nfs/dbraw/zinc/41/09/12/682410912.db2.gz LSSVSVUQMGHFEF-ZWKOTPCHSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001026587464 684765657 /nfs/dbraw/zinc/76/56/57/684765657.db2.gz FYKKKKGAYDAFFO-UHFFFAOYSA-N 2 2 339.443 2.474 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000986297356 688468437 /nfs/dbraw/zinc/46/84/37/688468437.db2.gz VJCPHUWZYRVQMT-HIFRSBDPSA-N 2 2 336.867 2.093 20 30 EEEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CCCC1 ZINC000263270258 689596603 /nfs/dbraw/zinc/59/66/03/689596603.db2.gz OWYNAJNTPNSTHU-QGZVFWFLSA-N 2 2 332.517 2.451 20 30 EEEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC1CCCC1 ZINC000263270258 689596604 /nfs/dbraw/zinc/59/66/04/689596604.db2.gz OWYNAJNTPNSTHU-QGZVFWFLSA-N 2 2 332.517 2.451 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001089885625 1192684919 /nfs/dbraw/zinc/68/49/19/1192684919.db2.gz INTBDPXCZMJEBU-WNHJNPCNSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001089885625 1192684920 /nfs/dbraw/zinc/68/49/20/1192684920.db2.gz INTBDPXCZMJEBU-WNHJNPCNSA-N 2 2 342.487 2.098 20 30 EEEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089888116 1192776297 /nfs/dbraw/zinc/77/62/97/1192776297.db2.gz CDOPVFDBSBTFIR-JJXSEGSLSA-N 2 2 328.460 2.042 20 30 EEEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089888116 1192776299 /nfs/dbraw/zinc/77/62/99/1192776299.db2.gz CDOPVFDBSBTFIR-JJXSEGSLSA-N 2 2 328.460 2.042 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944124010 1192898292 /nfs/dbraw/zinc/89/82/92/1192898292.db2.gz ZGXIWPSJWNIGJW-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944124010 1192898296 /nfs/dbraw/zinc/89/82/96/1192898296.db2.gz ZGXIWPSJWNIGJW-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001480951879 1179126019 /nfs/dbraw/zinc/12/60/19/1179126019.db2.gz PVRWRDJXDUVVNU-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001480951879 1179126022 /nfs/dbraw/zinc/12/60/22/1179126022.db2.gz PVRWRDJXDUVVNU-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001480951879 1179126025 /nfs/dbraw/zinc/12/60/25/1179126025.db2.gz PVRWRDJXDUVVNU-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001480951879 1179126029 /nfs/dbraw/zinc/12/60/29/1179126029.db2.gz PVRWRDJXDUVVNU-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001484754942 1191509878 /nfs/dbraw/zinc/50/98/78/1191509878.db2.gz QOVYRCQQAHCTQW-OAHLLOKOSA-N 2 2 338.883 2.287 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001484754942 1191509880 /nfs/dbraw/zinc/50/98/80/1191509880.db2.gz QOVYRCQQAHCTQW-OAHLLOKOSA-N 2 2 338.883 2.287 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033908671 1195481376 /nfs/dbraw/zinc/48/13/76/1195481376.db2.gz XTRGGNOGAASILP-IBGZPJMESA-N 2 2 336.439 2.432 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033908671 1195481379 /nfs/dbraw/zinc/48/13/79/1195481379.db2.gz XTRGGNOGAASILP-IBGZPJMESA-N 2 2 336.439 2.432 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279265 1196040197 /nfs/dbraw/zinc/04/01/97/1196040197.db2.gz QSDOVHUFGWADQT-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279265 1196040198 /nfs/dbraw/zinc/04/01/98/1196040198.db2.gz QSDOVHUFGWADQT-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279265 1196040200 /nfs/dbraw/zinc/04/02/00/1196040200.db2.gz QSDOVHUFGWADQT-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279265 1196040202 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OYOWKLKKPKSZEE-JOCQHMNTSA-N 2 2 340.855 2.119 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001034744576 1196655331 /nfs/dbraw/zinc/65/53/31/1196655331.db2.gz XGVNJTPGHKEGJY-QAQDUYKDSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234142 1199413900 /nfs/dbraw/zinc/41/39/00/1199413900.db2.gz CQWFSDWFKBAJSU-VXGBXAGGSA-N 2 2 343.269 2.124 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234139 1199413919 /nfs/dbraw/zinc/41/39/19/1199413919.db2.gz CQWFSDWFKBAJSU-NEPJUHHUSA-N 2 2 343.269 2.124 20 30 EEEDLP C=C(Br)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265758 1199504787 /nfs/dbraw/zinc/50/47/87/1199504787.db2.gz RYCRZHSHBIPXBR-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132265758 1199504791 /nfs/dbraw/zinc/50/47/91/1199504791.db2.gz RYCRZHSHBIPXBR-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP 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/nfs/dbraw/zinc/73/07/59/1247730759.db2.gz BKAQSWHSMYPYEV-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054211951 1247730771 /nfs/dbraw/zinc/73/07/71/1247730771.db2.gz BKAQSWHSMYPYEV-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201494773 1289614968 /nfs/dbraw/zinc/61/49/68/1289614968.db2.gz WGFRDEGQHKCRIH-KRWDZBQOSA-N 2 2 336.480 2.130 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071629309 1294699519 /nfs/dbraw/zinc/69/95/19/1294699519.db2.gz XTCWDBRHXXZYEL-GJZGRUSLSA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071629309 1294699524 /nfs/dbraw/zinc/69/95/24/1294699524.db2.gz XTCWDBRHXXZYEL-GJZGRUSLSA-N 2 2 334.464 2.285 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001071986272 1295068951 /nfs/dbraw/zinc/06/89/51/1295068951.db2.gz ROAMYWXVUMKLFQ-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001071986272 1295068963 /nfs/dbraw/zinc/06/89/63/1295068963.db2.gz ROAMYWXVUMKLFQ-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227127714 1301701065 /nfs/dbraw/zinc/70/10/65/1301701065.db2.gz LLGWCYGJHOWYKG-CGTJXYLNSA-N 2 2 330.476 2.429 20 30 EEEDLP N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230630408 1303337428 /nfs/dbraw/zinc/33/74/28/1303337428.db2.gz SKSSRWCBGAIDOX-LJQANCHMSA-N 2 2 346.519 2.479 20 30 EEEDLP N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230630408 1303337437 /nfs/dbraw/zinc/33/74/37/1303337437.db2.gz SKSSRWCBGAIDOX-LJQANCHMSA-N 2 2 346.519 2.479 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784521 1303882896 /nfs/dbraw/zinc/88/28/96/1303882896.db2.gz OBKJZGLAKFBHRL-NSHGMRRFSA-N 2 2 342.487 2.464 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784521 1303882898 /nfs/dbraw/zinc/88/28/98/1303882898.db2.gz OBKJZGLAKFBHRL-NSHGMRRFSA-N 2 2 342.487 2.464 20 30 EEEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001115603909 1305486551 /nfs/dbraw/zinc/48/65/51/1305486551.db2.gz YXTNHPNGCVLHTJ-INIZCTEOSA-N 2 2 330.476 2.430 20 30 EEEDLP SC1CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139762921 1314767441 /nfs/dbraw/zinc/76/74/41/1314767441.db2.gz AQKUMBQUWNJJTK-UHFFFAOYSA-N 2 2 336.501 2.292 20 30 EEEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149868128 1316071166 /nfs/dbraw/zinc/07/11/66/1316071166.db2.gz DCGAOCLBMKMJLX-MSOLQXFVSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149868128 1316071172 /nfs/dbraw/zinc/07/11/72/1316071172.db2.gz DCGAOCLBMKMJLX-MSOLQXFVSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001252469723 1317609441 /nfs/dbraw/zinc/60/94/41/1317609441.db2.gz ASQGYEQAYRUIMC-HXUWFJFHSA-N 2 2 330.472 2.073 20 30 EEEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252469723 1317609446 /nfs/dbraw/zinc/60/94/46/1317609446.db2.gz ASQGYEQAYRUIMC-HXUWFJFHSA-N 2 2 330.472 2.073 20 30 EEEDLP CCCCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252535938 1317630706 /nfs/dbraw/zinc/63/07/06/1317630706.db2.gz SMIXWAMEPIMFHG-HXUWFJFHSA-N 2 2 345.487 2.290 20 30 EEEDLP C=CCC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001252594817 1317641211 /nfs/dbraw/zinc/64/12/11/1317641211.db2.gz BXGJBEMPROVGBJ-GOSISDBHSA-N 2 2 338.492 2.053 20 30 EEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155563436 1317653926 /nfs/dbraw/zinc/65/39/26/1317653926.db2.gz FJAZSRJPLUHTDG-QGZVFWFLSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155563436 1317653931 /nfs/dbraw/zinc/65/39/31/1317653931.db2.gz FJAZSRJPLUHTDG-QGZVFWFLSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C[C@H](O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583275 1317888602 /nfs/dbraw/zinc/88/86/02/1317888602.db2.gz ZQEMXKGWKGBQLI-DLBZAZTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@H](O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583275 1317888607 /nfs/dbraw/zinc/88/86/07/1317888607.db2.gz ZQEMXKGWKGBQLI-DLBZAZTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253583275 1317888610 /nfs/dbraw/zinc/88/86/10/1317888610.db2.gz ZQEMXKGWKGBQLI-DLBZAZTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253583275 1317888615 /nfs/dbraw/zinc/88/86/15/1317888615.db2.gz ZQEMXKGWKGBQLI-DLBZAZTESA-N 2 2 337.414 2.162 20 30 EEEDLP C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679222 1318827078 /nfs/dbraw/zinc/82/70/78/1318827078.db2.gz GGMXTEDIAWGGGJ-ABHNRTSZSA-N 2 2 338.492 2.363 20 30 EEEDLP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC001157804264 1318872423 /nfs/dbraw/zinc/87/24/23/1318872423.db2.gz QPZPHUOTNNMSNZ-AYOQOUSVSA-N 2 2 340.471 2.108 20 30 EEEDLP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC001157804264 1318872436 /nfs/dbraw/zinc/87/24/36/1318872436.db2.gz QPZPHUOTNNMSNZ-AYOQOUSVSA-N 2 2 340.471 2.108 20 30 EEEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001157914817 1318928474 /nfs/dbraw/zinc/92/84/74/1318928474.db2.gz LJOBZDWUAKOCRY-UHFFFAOYSA-N 2 2 338.390 2.353 20 30 EEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158172002 1319056791 /nfs/dbraw/zinc/05/67/91/1319056791.db2.gz TXNFNTKVWBPRJZ-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158172002 1319056802 /nfs/dbraw/zinc/05/68/02/1319056802.db2.gz TXNFNTKVWBPRJZ-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP Cc1c(Cl)c(Cl)nc(NCC[NH+]2CCC([NH3+])CC2)c1C#N ZINC001161867265 1320654121 /nfs/dbraw/zinc/65/41/21/1320654121.db2.gz MOSJOUVIOWOUOT-UHFFFAOYSA-N 2 2 328.247 2.404 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001164597150 1321429726 /nfs/dbraw/zinc/42/97/26/1321429726.db2.gz XFOKHFJSIOQPMD-UHFFFAOYSA-N 2 2 330.476 2.214 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265285721 1323035533 /nfs/dbraw/zinc/03/55/33/1323035533.db2.gz GHPDCHPNCXDUMX-HOTGVXAUSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265285721 1323035541 /nfs/dbraw/zinc/03/55/41/1323035541.db2.gz GHPDCHPNCXDUMX-HOTGVXAUSA-N 2 2 330.476 2.307 20 30 EEEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500363 1323164445 /nfs/dbraw/zinc/16/44/45/1323164445.db2.gz SFNOAYYRVRFVKV-GOSISDBHSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001209214545 1324856606 /nfs/dbraw/zinc/85/66/06/1324856606.db2.gz YFPFUWFWNGQGJS-MJGOQNOKSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001209214545 1324856608 /nfs/dbraw/zinc/85/66/08/1324856608.db2.gz YFPFUWFWNGQGJS-MJGOQNOKSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001308247763 1331578020 /nfs/dbraw/zinc/57/80/20/1331578020.db2.gz ZRQLRRPUSBKLEN-UHFFFAOYSA-N 3 2 328.504 2.178 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001339775591 1337071020 /nfs/dbraw/zinc/07/10/20/1337071020.db2.gz WRZXBIMJHQTKRP-SJORKVTESA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001339775591 1337071023 /nfs/dbraw/zinc/07/10/23/1337071023.db2.gz WRZXBIMJHQTKRP-SJORKVTESA-N 2 2 344.507 2.295 20 30 EEEDLP C#CCCC[N@H+]1CCC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273542431 1368247326 /nfs/dbraw/zinc/24/73/26/1368247326.db2.gz KSBZBCJDXILQOH-IBGZPJMESA-N 2 2 328.460 2.038 20 30 EEEDLP C#CCCC[N@@H+]1CCC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273542431 1368247331 /nfs/dbraw/zinc/24/73/31/1368247331.db2.gz KSBZBCJDXILQOH-IBGZPJMESA-N 2 2 328.460 2.038 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699669 1369386227 /nfs/dbraw/zinc/38/62/27/1369386227.db2.gz ZLBREIAUBSUBQA-BDXSIMOUSA-N 2 2 328.460 2.215 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699669 1369386231 /nfs/dbraw/zinc/38/62/31/1369386231.db2.gz ZLBREIAUBSUBQA-BDXSIMOUSA-N 2 2 328.460 2.215 20 30 EEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001101558969 1371018802 /nfs/dbraw/zinc/01/88/02/1371018802.db2.gz NVMPUSVZDMVNCD-UHFFFAOYSA-N 2 2 332.492 2.393 20 30 EEEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000799716373 1371676321 /nfs/dbraw/zinc/67/63/21/1371676321.db2.gz PSEQREVDOHUFPF-QZTJIDSGSA-N 2 2 342.487 2.489 20 30 EEEDLP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1cc(C#N)ccc1F ZINC001372251038 1375884269 /nfs/dbraw/zinc/88/42/69/1375884269.db2.gz WPVFISCYIWNGNM-UHFFFAOYSA-N 2 2 346.450 2.121 20 30 EEEDLP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1cc(C#N)ccc1F ZINC001372251038 1375884273 /nfs/dbraw/zinc/88/42/73/1375884273.db2.gz WPVFISCYIWNGNM-UHFFFAOYSA-N 2 2 346.450 2.121 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001424696360 1401227180 /nfs/dbraw/zinc/22/71/80/1401227180.db2.gz LYWQNMDLMKDPRW-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001424696360 1401227188 /nfs/dbraw/zinc/22/71/88/1401227188.db2.gz LYWQNMDLMKDPRW-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001424696360 1401227192 /nfs/dbraw/zinc/22/71/92/1401227192.db2.gz LYWQNMDLMKDPRW-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001424696360 1401227200 /nfs/dbraw/zinc/22/72/00/1401227200.db2.gz LYWQNMDLMKDPRW-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001755162775 1407171695 /nfs/dbraw/zinc/17/16/95/1407171695.db2.gz ZEGSQZOYGQABCC-GOEBONIOSA-N 2 2 342.443 2.348 20 30 EEEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001755162775 1407171701 /nfs/dbraw/zinc/17/17/01/1407171701.db2.gz ZEGSQZOYGQABCC-GOEBONIOSA-N 2 2 342.443 2.348 20 30 EEEDLP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001575534172 1403553019 /nfs/dbraw/zinc/55/30/19/1403553019.db2.gz GASWNXYBOHIQHK-HXUWFJFHSA-N 2 2 342.487 2.214 20 30 EEEDLP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001755530386 1407595351 /nfs/dbraw/zinc/59/53/51/1407595351.db2.gz BVAFTZUALPNFNG-MRXNPFEDSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001755530386 1407595353 /nfs/dbraw/zinc/59/53/53/1407595353.db2.gz BVAFTZUALPNFNG-MRXNPFEDSA-N 2 2 330.476 2.335 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075453936 760707884 /nfs/dbraw/zinc/70/78/84/760707884.db2.gz HBBHGYFQUXRFRM-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075453936 760707893 /nfs/dbraw/zinc/70/78/93/760707893.db2.gz HBBHGYFQUXRFRM-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075453936 760707903 /nfs/dbraw/zinc/70/79/03/760707903.db2.gz HBBHGYFQUXRFRM-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075453936 760707911 /nfs/dbraw/zinc/70/79/11/760707911.db2.gz HBBHGYFQUXRFRM-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421502 768960872 /nfs/dbraw/zinc/96/08/72/768960872.db2.gz VBVDMBDAWBPQOY-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421502 768960877 /nfs/dbraw/zinc/96/08/77/768960877.db2.gz VBVDMBDAWBPQOY-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424529 769013696 /nfs/dbraw/zinc/01/36/96/769013696.db2.gz WJPHEGIQMCUTGC-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424529 769013709 /nfs/dbraw/zinc/01/37/09/769013709.db2.gz WJPHEGIQMCUTGC-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC001027940377 774726042 /nfs/dbraw/zinc/72/60/42/774726042.db2.gz LROFKWQFYLBYPE-MOPGFXCFSA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC001027940377 774726045 /nfs/dbraw/zinc/72/60/45/774726045.db2.gz LROFKWQFYLBYPE-MOPGFXCFSA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cccc(F)c1 ZINC001027940377 774726050 /nfs/dbraw/zinc/72/60/50/774726050.db2.gz LROFKWQFYLBYPE-MOPGFXCFSA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cccc(F)c1 ZINC001027940377 774726053 /nfs/dbraw/zinc/72/60/53/774726053.db2.gz LROFKWQFYLBYPE-MOPGFXCFSA-N 2 2 343.446 2.004 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000997586710 790353875 /nfs/dbraw/zinc/35/38/75/790353875.db2.gz NLBBGDWPMGEJGR-KSSFIOAISA-N 2 2 345.491 2.193 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000997586710 790353887 /nfs/dbraw/zinc/35/38/87/790353887.db2.gz NLBBGDWPMGEJGR-KSSFIOAISA-N 2 2 345.491 2.193 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981453391 777437552 /nfs/dbraw/zinc/43/75/52/777437552.db2.gz HMRTYKSGDQGZOI-LSDHHAIUSA-N 2 2 325.416 2.084 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000939817654 777444122 /nfs/dbraw/zinc/44/41/22/777444122.db2.gz WCSKLOLIFUMRBJ-GDBMZVCRSA-N 2 2 333.501 2.119 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000939817654 777444131 /nfs/dbraw/zinc/44/41/31/777444131.db2.gz WCSKLOLIFUMRBJ-GDBMZVCRSA-N 2 2 333.501 2.119 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982397903 779987755 /nfs/dbraw/zinc/98/77/55/779987755.db2.gz WELAHVGNRLAUPS-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982397903 779987758 /nfs/dbraw/zinc/98/77/58/779987758.db2.gz WELAHVGNRLAUPS-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035204619 784054827 /nfs/dbraw/zinc/05/48/27/784054827.db2.gz NNPPQMOMNQCMQF-UHFFFAOYSA-N 2 2 336.439 2.286 20 30 EEEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035204619 784054836 /nfs/dbraw/zinc/05/48/36/784054836.db2.gz NNPPQMOMNQCMQF-UHFFFAOYSA-N 2 2 336.439 2.286 20 30 EEEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589803 784062329 /nfs/dbraw/zinc/06/23/29/784062329.db2.gz SHAHGAFEXKGSSV-IAGOWNOFSA-N 2 2 337.508 2.080 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC001036255043 786111545 /nfs/dbraw/zinc/11/15/45/786111545.db2.gz XGTIZMDKZLUFBZ-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998053352 791895910 /nfs/dbraw/zinc/89/59/10/791895910.db2.gz RWAZQSLANHZGHH-ROUUACIJSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998053352 791895912 /nfs/dbraw/zinc/89/59/12/791895912.db2.gz RWAZQSLANHZGHH-ROUUACIJSA-N 2 2 342.487 2.172 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998261904 792375800 /nfs/dbraw/zinc/37/58/00/792375800.db2.gz NMICOQRTWGVBQX-CHWSQXEVSA-N 2 2 344.381 2.287 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153957 795131930 /nfs/dbraw/zinc/13/19/30/795131930.db2.gz VQFXAABVJKMOJV-IAGOWNOFSA-N 2 2 344.503 2.412 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288974 795346617 /nfs/dbraw/zinc/34/66/17/795346617.db2.gz VOAHZRVPBXFDPI-KZNAEPCWSA-N 2 2 330.476 2.178 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343051 795423637 /nfs/dbraw/zinc/42/36/37/795423637.db2.gz NVZAXKFZAFMGLF-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061539 796333363 /nfs/dbraw/zinc/33/33/63/796333363.db2.gz VWEJGQPNCXMPHQ-DOTOQJQBSA-N 2 2 345.512 2.099 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061539 796333366 /nfs/dbraw/zinc/33/33/66/796333366.db2.gz VWEJGQPNCXMPHQ-DOTOQJQBSA-N 2 2 345.512 2.099 20 30 EEEDLP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061539 796333368 /nfs/dbraw/zinc/33/33/68/796333368.db2.gz VWEJGQPNCXMPHQ-DOTOQJQBSA-N 2 2 345.512 2.099 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754569 796371049 /nfs/dbraw/zinc/37/10/49/796371049.db2.gz PYNZIXVYJXBPFP-CXAGYDPISA-N 2 2 339.911 2.297 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754569 796371055 /nfs/dbraw/zinc/37/10/55/796371055.db2.gz PYNZIXVYJXBPFP-CXAGYDPISA-N 2 2 339.911 2.297 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994164024 797345266 /nfs/dbraw/zinc/34/52/66/797345266.db2.gz WEONCJJVKCFRQY-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994164024 797345272 /nfs/dbraw/zinc/34/52/72/797345272.db2.gz WEONCJJVKCFRQY-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176000701 798312485 /nfs/dbraw/zinc/31/24/85/798312485.db2.gz QPHFRUDQIOISRK-MRXNPFEDSA-N 2 2 339.443 2.169 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085202960 800237164 /nfs/dbraw/zinc/23/71/64/800237164.db2.gz HGCYWXGLFMKKFI-BRSBDYLESA-N 2 2 342.487 2.357 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181946186 800969411 /nfs/dbraw/zinc/96/94/11/800969411.db2.gz DPIIQIKQEBIRFD-GPMSIDNRSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952052 800973700 /nfs/dbraw/zinc/97/37/00/800973700.db2.gz OTNHZZGNFGJNAA-MBOZVWFJSA-N 2 2 344.503 2.486 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001086111652 802195691 /nfs/dbraw/zinc/19/56/91/802195691.db2.gz VWWOGSCKTCPZTK-XMTFNYHQSA-N 2 2 349.438 2.069 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001086111652 802195696 /nfs/dbraw/zinc/19/56/96/802195696.db2.gz VWWOGSCKTCPZTK-XMTFNYHQSA-N 2 2 349.438 2.069 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001108731375 804415793 /nfs/dbraw/zinc/41/57/93/804415793.db2.gz RDSHYRFDGFHTBA-BBWFWOEESA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001438393171 1090880331 /nfs/dbraw/zinc/88/03/31/1090880331.db2.gz OKBBQCOHQOVUNI-AWEZNQCLSA-N 2 2 336.867 2.217 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001439414615 1092183465 /nfs/dbraw/zinc/18/34/65/1092183465.db2.gz CLRXZCCFBAYFIL-GJZGRUSLSA-N 2 2 338.883 2.370 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000356264216 238211966 /nfs/dbraw/zinc/21/19/66/238211966.db2.gz MDXMYSFSMCLDGD-GOSISDBHSA-N 2 2 342.487 2.216 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630635 781977479 /nfs/dbraw/zinc/97/74/79/781977479.db2.gz QZDALGVUNQGEFO-UWWQBHOKSA-N 2 2 330.476 2.368 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630635 781977487 /nfs/dbraw/zinc/97/74/87/781977487.db2.gz 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C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107361 1257970278 /nfs/dbraw/zinc/97/02/78/1257970278.db2.gz YDASCDKJNWAWGV-QGZVFWFLSA-N 2 2 348.491 2.152 20 30 EEEDLP C=C(Br)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601204 1282630076 /nfs/dbraw/zinc/63/00/76/1282630076.db2.gz VXIMZDCXQZFGNO-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193601204 1282630091 /nfs/dbraw/zinc/63/00/91/1282630091.db2.gz VXIMZDCXQZFGNO-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601204 1282630111 /nfs/dbraw/zinc/63/01/11/1282630111.db2.gz VXIMZDCXQZFGNO-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601204 1282630127 /nfs/dbraw/zinc/63/01/27/1282630127.db2.gz VXIMZDCXQZFGNO-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001186329072 1279060528 /nfs/dbraw/zinc/06/05/28/1279060528.db2.gz IZJWQILMYGZMJU-MRXNPFEDSA-N 2 2 326.444 2.342 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189788233 1280498635 /nfs/dbraw/zinc/49/86/35/1280498635.db2.gz VZTDOGVBSLJMCV-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189788233 1280498639 /nfs/dbraw/zinc/49/86/39/1280498639.db2.gz VZTDOGVBSLJMCV-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001192633096 1282092106 /nfs/dbraw/zinc/09/21/06/1282092106.db2.gz VVQIPLKKDNKPEJ-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001192633096 1282092115 /nfs/dbraw/zinc/09/21/15/1282092115.db2.gz VVQIPLKKDNKPEJ-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCC2(C#N)CCC2)cc1 ZINC001198030619 1284949365 /nfs/dbraw/zinc/94/93/65/1284949365.db2.gz MTWLSRFXVKHEIO-UHFFFAOYSA-N 2 2 342.487 2.494 20 30 EEEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCC2(C#N)CCC2)cc1 ZINC001198030619 1284949370 /nfs/dbraw/zinc/94/93/70/1284949370.db2.gz MTWLSRFXVKHEIO-UHFFFAOYSA-N 2 2 342.487 2.494 20 30 EEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001201818744 1289763625 /nfs/dbraw/zinc/76/36/25/1289763625.db2.gz SGTSWKILVJDTFY-GOSISDBHSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001201818744 1289763635 /nfs/dbraw/zinc/76/36/35/1289763635.db2.gz SGTSWKILVJDTFY-GOSISDBHSA-N 2 2 337.508 2.034 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578575 1289953671 /nfs/dbraw/zinc/95/36/71/1289953671.db2.gz NJYZGPINFLBMQP-HZMVEIRTSA-N 2 2 328.460 2.141 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578575 1289953677 /nfs/dbraw/zinc/95/36/77/1289953677.db2.gz NJYZGPINFLBMQP-HZMVEIRTSA-N 2 2 328.460 2.141 20 30 EEEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[C@H](C)n1cc[nH+]c1)C[C@@H](C)O2 ZINC001098646468 1298664786 /nfs/dbraw/zinc/66/47/86/1298664786.db2.gz MZCPUMNNRBLNNZ-DLBZAZTESA-N 2 2 346.475 2.102 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104045 1300311060 /nfs/dbraw/zinc/31/10/60/1300311060.db2.gz CIDXABIJXSFNTC-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104045 1300311073 /nfs/dbraw/zinc/31/10/73/1300311073.db2.gz CIDXABIJXSFNTC-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162737 1302361397 /nfs/dbraw/zinc/36/13/97/1302361397.db2.gz IHTLEWMXBFBMIB-KURKYZTESA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162737 1302361410 /nfs/dbraw/zinc/36/14/10/1302361410.db2.gz IHTLEWMXBFBMIB-KURKYZTESA-N 2 2 344.503 2.486 20 30 EEEDLP C#CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccnc1 ZINC001230783259 1303454775 /nfs/dbraw/zinc/45/47/75/1303454775.db2.gz DUKHJIONTUCNFU-UHFFFAOYSA-N 2 2 347.422 2.213 20 30 EEEDLP C#CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccnc1 ZINC001230783259 1303454782 /nfs/dbraw/zinc/45/47/82/1303454782.db2.gz DUKHJIONTUCNFU-UHFFFAOYSA-N 2 2 347.422 2.213 20 30 EEEDLP C#Cc1cccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001231659906 1303884409 /nfs/dbraw/zinc/88/44/09/1303884409.db2.gz WSDCYHKKXJKKQD-UHFFFAOYSA-N 2 2 349.482 2.304 20 30 EEEDLP N#Cc1cccc(CCC[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1 ZINC001278126672 1306024380 /nfs/dbraw/zinc/02/43/80/1306024380.db2.gz CCBJQUAHPBELDD-LEWJYISDSA-N 2 2 349.482 2.394 20 30 EEEDLP N#Cc1cccc(CCC[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1 ZINC001278126672 1306024395 /nfs/dbraw/zinc/02/43/95/1306024395.db2.gz CCBJQUAHPBELDD-LEWJYISDSA-N 2 2 349.482 2.394 20 30 EEEDLP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2[nH+]cn3ccccc23)cc1C#N ZINC001278448678 1310307341 /nfs/dbraw/zinc/30/73/41/1310307341.db2.gz SJILSKHZZMOJPZ-HDICACEKSA-N 2 2 346.438 2.003 20 30 EEEDLP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2[nH+]cn3ccccc23)cc1C#N ZINC001278448678 1310307347 /nfs/dbraw/zinc/30/73/47/1310307347.db2.gz SJILSKHZZMOJPZ-HDICACEKSA-N 2 2 346.438 2.003 20 30 EEEDLP C=CCC[NH2+]C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001202931963 1314740761 /nfs/dbraw/zinc/74/07/61/1314740761.db2.gz LFNMROKCALLNCM-UHFFFAOYSA-N 2 2 326.444 2.342 20 30 EEEDLP C=CCn1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cn1 ZINC001139769907 1314768494 /nfs/dbraw/zinc/76/84/94/1314768494.db2.gz USPBTECRIVIVTH-WOJBJXKFSA-N 2 2 344.503 2.249 20 30 EEEDLP C=CCn1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cn1 ZINC001139769907 1314768498 /nfs/dbraw/zinc/76/84/98/1314768498.db2.gz USPBTECRIVIVTH-WOJBJXKFSA-N 2 2 344.503 2.249 20 30 EEEDLP C=CCn1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cn1 ZINC001139769907 1314768503 /nfs/dbraw/zinc/76/85/03/1314768503.db2.gz USPBTECRIVIVTH-WOJBJXKFSA-N 2 2 344.503 2.249 20 30 EEEDLP C=CCn1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cn1 ZINC001139769907 1314768507 /nfs/dbraw/zinc/76/85/07/1314768507.db2.gz USPBTECRIVIVTH-WOJBJXKFSA-N 2 2 344.503 2.249 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929423 1317730484 /nfs/dbraw/zinc/73/04/84/1317730484.db2.gz GXWTXULHPBDCRN-HAGHYFMRSA-N 2 2 325.456 2.390 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929423 1317730486 /nfs/dbraw/zinc/73/04/86/1317730486.db2.gz GXWTXULHPBDCRN-HAGHYFMRSA-N 2 2 325.456 2.390 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252929423 1317730489 /nfs/dbraw/zinc/73/04/89/1317730489.db2.gz GXWTXULHPBDCRN-HAGHYFMRSA-N 2 2 325.456 2.390 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929423 1317730493 /nfs/dbraw/zinc/73/04/93/1317730493.db2.gz GXWTXULHPBDCRN-HAGHYFMRSA-N 2 2 325.456 2.390 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)(COC)CC1 ZINC001162528088 1320886979 /nfs/dbraw/zinc/88/69/79/1320886979.db2.gz SPNDMCNYGNSLST-MRXNPFEDSA-N 2 2 348.491 2.009 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)(COC)CC1 ZINC001162528088 1320886982 /nfs/dbraw/zinc/88/69/82/1320886982.db2.gz SPNDMCNYGNSLST-MRXNPFEDSA-N 2 2 348.491 2.009 20 30 EEEDLP C=CCOCC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756568 1321579136 /nfs/dbraw/zinc/57/91/36/1321579136.db2.gz NSNGWINFMIESPL-UHFFFAOYSA-N 2 2 342.443 2.255 20 30 EEEDLP N#Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000702553757 1323592486 /nfs/dbraw/zinc/59/24/86/1323592486.db2.gz OWBFTSQBJYOGJP-HXUWFJFHSA-N 2 2 339.414 2.424 20 30 EEEDLP N#Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000702553757 1323592493 /nfs/dbraw/zinc/59/24/93/1323592493.db2.gz OWBFTSQBJYOGJP-HXUWFJFHSA-N 2 2 339.414 2.424 20 30 EEEDLP Cn1cc(C[N@@H+]2CCC23CN(c2ccccc2C[NH+](C)C)C3)cc1C#N ZINC001279762814 1323992475 /nfs/dbraw/zinc/99/24/75/1323992475.db2.gz PBTGXHZQUIQADX-UHFFFAOYSA-N 2 2 349.482 2.423 20 30 EEEDLP Cn1cc(C[N@H+]2CCC23CN(c2ccccc2C[NH+](C)C)C3)cc1C#N ZINC001279762814 1323992477 /nfs/dbraw/zinc/99/24/77/1323992477.db2.gz PBTGXHZQUIQADX-UHFFFAOYSA-N 2 2 349.482 2.423 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001209213682 1324857129 /nfs/dbraw/zinc/85/71/29/1324857129.db2.gz UPCMDHUOUUDZSW-HKUYNNGSSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001209213682 1324857132 /nfs/dbraw/zinc/85/71/32/1324857132.db2.gz UPCMDHUOUUDZSW-HKUYNNGSSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001339108252 1336960582 /nfs/dbraw/zinc/96/05/82/1336960582.db2.gz CTHMWJMHQLETCL-DLBZAZTESA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001339108252 1336960583 /nfs/dbraw/zinc/96/05/83/1336960583.db2.gz CTHMWJMHQLETCL-DLBZAZTESA-N 2 2 344.507 2.295 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001116037773 1371718429 /nfs/dbraw/zinc/71/84/29/1371718429.db2.gz VRLAGDBSSFEXJK-LJQANCHMSA-N 2 2 342.487 2.203 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001116037773 1371718434 /nfs/dbraw/zinc/71/84/34/1371718434.db2.gz VRLAGDBSSFEXJK-LJQANCHMSA-N 2 2 342.487 2.203 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCCO1 ZINC001200508823 1373042586 /nfs/dbraw/zinc/04/25/86/1373042586.db2.gz BJYOQGMKIBAIQJ-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001366896410 1374053409 /nfs/dbraw/zinc/05/34/09/1374053409.db2.gz FBTGCXWCQBBJFD-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001366896410 1374053412 /nfs/dbraw/zinc/05/34/12/1374053412.db2.gz FBTGCXWCQBBJFD-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001366896410 1374053417 /nfs/dbraw/zinc/05/34/17/1374053417.db2.gz FBTGCXWCQBBJFD-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001366896410 1374053428 /nfs/dbraw/zinc/05/34/28/1374053428.db2.gz FBTGCXWCQBBJFD-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001402142866 1397792564 /nfs/dbraw/zinc/79/25/64/1397792564.db2.gz XFEKTBAGGOBDJH-PKOBYXMFSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001402142866 1397792567 /nfs/dbraw/zinc/79/25/67/1397792567.db2.gz XFEKTBAGGOBDJH-PKOBYXMFSA-N 2 2 346.450 2.118 20 30 EEEDLP C#CC[NH2+]C1(CNC(=O)CCC=C)CC[NH+](Cc2ccccc2)CC1 ZINC001755852419 1407905211 /nfs/dbraw/zinc/90/52/11/1407905211.db2.gz UAYJAARBFQCXRN-UHFFFAOYSA-N 2 2 339.483 2.326 20 30 EEEDLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1ccccc1C#N ZINC001167634474 760786232 /nfs/dbraw/zinc/78/62/32/760786232.db2.gz WDFYQSFXPLOAMR-UHFFFAOYSA-N 2 2 336.443 2.444 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440406 760860891 /nfs/dbraw/zinc/86/08/91/760860891.db2.gz DWORQPFYDZMOPN-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089492179 769832855 /nfs/dbraw/zinc/83/28/55/769832855.db2.gz CWGUMPCONRXYNJ-BRWVUGGUSA-N 2 2 342.487 2.154 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089492179 769832865 /nfs/dbraw/zinc/83/28/65/769832865.db2.gz CWGUMPCONRXYNJ-BRWVUGGUSA-N 2 2 342.487 2.154 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124131 782940780 /nfs/dbraw/zinc/94/07/80/782940780.db2.gz XZSWPZWHAAZYCC-XHSDSOJGSA-N 2 2 336.867 2.367 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124131 782940787 /nfs/dbraw/zinc/94/07/87/782940787.db2.gz XZSWPZWHAAZYCC-XHSDSOJGSA-N 2 2 336.867 2.367 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773429 783099071 /nfs/dbraw/zinc/09/90/71/783099071.db2.gz QLKWGVGYRWZIDN-XHSDSOJGSA-N 2 2 328.460 2.186 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773429 783099080 /nfs/dbraw/zinc/09/90/80/783099080.db2.gz QLKWGVGYRWZIDN-XHSDSOJGSA-N 2 2 328.460 2.186 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027888557 774056105 /nfs/dbraw/zinc/05/61/05/774056105.db2.gz SYMVKGXCKNFEBK-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027888557 774056111 /nfs/dbraw/zinc/05/61/11/774056111.db2.gz SYMVKGXCKNFEBK-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981482781 777490114 /nfs/dbraw/zinc/49/01/14/777490114.db2.gz BTBWQFFNVOIQJU-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981482781 777490121 /nfs/dbraw/zinc/49/01/21/777490121.db2.gz BTBWQFFNVOIQJU-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981482781 777490129 /nfs/dbraw/zinc/49/01/29/777490129.db2.gz BTBWQFFNVOIQJU-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981482781 777490135 /nfs/dbraw/zinc/49/01/35/777490135.db2.gz BTBWQFFNVOIQJU-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982060662 779016164 /nfs/dbraw/zinc/01/61/64/779016164.db2.gz BJVSXKULTSWNDR-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982060662 779016167 /nfs/dbraw/zinc/01/61/67/779016167.db2.gz BJVSXKULTSWNDR-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982060662 779016169 /nfs/dbraw/zinc/01/61/69/779016169.db2.gz BJVSXKULTSWNDR-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982060662 779016174 /nfs/dbraw/zinc/01/61/74/779016174.db2.gz BJVSXKULTSWNDR-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460252 780929262 /nfs/dbraw/zinc/92/92/62/780929262.db2.gz YVLXRCFHAKMUMR-QZTJIDSGSA-N 2 2 342.418 2.183 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460252 780929267 /nfs/dbraw/zinc/92/92/67/780929267.db2.gz YVLXRCFHAKMUMR-QZTJIDSGSA-N 2 2 342.418 2.183 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001035202636 784048240 /nfs/dbraw/zinc/04/82/40/784048240.db2.gz QGGCCZKJRIAIGQ-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001035202636 784048246 /nfs/dbraw/zinc/04/82/46/784048246.db2.gz QGGCCZKJRIAIGQ-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035486196 784568505 /nfs/dbraw/zinc/56/85/05/784568505.db2.gz YEBKEFAZFIZHCU-MOPGFXCFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035486196 784568510 /nfs/dbraw/zinc/56/85/10/784568510.db2.gz YEBKEFAZFIZHCU-MOPGFXCFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001035486196 784568516 /nfs/dbraw/zinc/56/85/16/784568516.db2.gz YEBKEFAZFIZHCU-MOPGFXCFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001035486196 784568520 /nfs/dbraw/zinc/56/85/20/784568520.db2.gz YEBKEFAZFIZHCU-MOPGFXCFSA-N 2 2 349.519 2.177 20 30 EEEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)ccc1OC ZINC000817919005 785072585 /nfs/dbraw/zinc/07/25/85/785072585.db2.gz OQRZZVTVBBBDRV-USXIJHARSA-N 2 2 347.459 2.233 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896124 785234373 /nfs/dbraw/zinc/23/43/73/785234373.db2.gz UUUXSHPPVNJCNQ-YJBOKZPZSA-N 2 2 345.491 2.078 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896124 785234378 /nfs/dbraw/zinc/23/43/78/785234378.db2.gz UUUXSHPPVNJCNQ-YJBOKZPZSA-N 2 2 345.491 2.078 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896118 785234426 /nfs/dbraw/zinc/23/44/26/785234426.db2.gz URUFKDOEGALSEB-MAUKXSAKSA-N 2 2 345.491 2.078 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896118 785234433 /nfs/dbraw/zinc/23/44/33/785234433.db2.gz URUFKDOEGALSEB-MAUKXSAKSA-N 2 2 345.491 2.078 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995975726 785880876 /nfs/dbraw/zinc/88/08/76/785880876.db2.gz BJBWMMHQMWJPFP-KGLIPLIRSA-N 2 2 336.867 2.025 20 30 EEEDLP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098820611 787362266 /nfs/dbraw/zinc/36/22/66/787362266.db2.gz JSEGMKCRNBPNGX-LPHOPBHVSA-N 2 2 342.487 2.363 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991446484 788806002 /nfs/dbraw/zinc/80/60/02/788806002.db2.gz LHKAWGCLZXDRGQ-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991446484 788806014 /nfs/dbraw/zinc/80/60/14/788806014.db2.gz LHKAWGCLZXDRGQ-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560688 791342537 /nfs/dbraw/zinc/34/25/37/791342537.db2.gz CNKYFRRWUJWZHI-HUUCEWRRSA-N 2 2 333.501 2.002 20 30 EEEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560688 791342545 /nfs/dbraw/zinc/34/25/45/791342545.db2.gz CNKYFRRWUJWZHI-HUUCEWRRSA-N 2 2 333.501 2.002 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998044345 791880625 /nfs/dbraw/zinc/88/06/25/791880625.db2.gz GQFGWHISBYSEJT-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998044345 791880632 /nfs/dbraw/zinc/88/06/32/791880632.db2.gz GQFGWHISBYSEJT-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992119067 792780872 /nfs/dbraw/zinc/78/08/72/792780872.db2.gz PUALBRSNMKFZFE-ZMSDIMECSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992119067 792780879 /nfs/dbraw/zinc/78/08/79/792780879.db2.gz PUALBRSNMKFZFE-ZMSDIMECSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992119067 792780884 /nfs/dbraw/zinc/78/08/84/792780884.db2.gz PUALBRSNMKFZFE-ZMSDIMECSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992119067 792780891 /nfs/dbraw/zinc/78/08/91/792780891.db2.gz PUALBRSNMKFZFE-ZMSDIMECSA-N 2 2 325.884 2.336 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC000921703402 795496199 /nfs/dbraw/zinc/49/61/99/795496199.db2.gz VNWQEQKOHWZAGF-HNNXBMFYSA-N 2 2 332.444 2.367 20 30 EEEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081178336 796678840 /nfs/dbraw/zinc/67/88/40/796678840.db2.gz MDWLUSFFLGXGJH-ZIFCJYIRSA-N 2 2 348.450 2.047 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001171919126 796799054 /nfs/dbraw/zinc/79/90/54/796799054.db2.gz WOLMMUPLDGGCLA-ROUUACIJSA-N 2 2 339.524 2.328 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001171919126 796799057 /nfs/dbraw/zinc/79/90/57/796799057.db2.gz WOLMMUPLDGGCLA-ROUUACIJSA-N 2 2 339.524 2.328 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C12CCC2 ZINC001078745726 796953588 /nfs/dbraw/zinc/95/35/88/796953588.db2.gz BOCRSGASKAYAMD-IRXDYDNUSA-N 2 2 338.455 2.388 20 30 EEEDLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994408009 797959961 /nfs/dbraw/zinc/95/99/61/797959961.db2.gz MKQZSYVXWJKNES-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994408009 797959963 /nfs/dbraw/zinc/95/99/63/797959963.db2.gz MKQZSYVXWJKNES-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176000759 798313217 /nfs/dbraw/zinc/31/32/17/798313217.db2.gz SKBLWKCSIJLZMP-MRXNPFEDSA-N 2 2 339.443 2.169 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084973408 798586121 /nfs/dbraw/zinc/58/61/21/798586121.db2.gz OIDNJENYUJLFSC-PMPSAXMXSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084973408 798586122 /nfs/dbraw/zinc/58/61/22/798586122.db2.gz OIDNJENYUJLFSC-PMPSAXMXSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084973408 798586123 /nfs/dbraw/zinc/58/61/23/798586123.db2.gz OIDNJENYUJLFSC-PMPSAXMXSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084973408 798586124 /nfs/dbraw/zinc/58/61/24/798586124.db2.gz OIDNJENYUJLFSC-PMPSAXMXSA-N 2 2 325.884 2.146 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001032837196 799440595 /nfs/dbraw/zinc/44/05/95/799440595.db2.gz IEARUIVFALZPPT-GGPKGHCWSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001032837196 799440601 /nfs/dbraw/zinc/44/06/01/799440601.db2.gz IEARUIVFALZPPT-GGPKGHCWSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001032837196 799440605 /nfs/dbraw/zinc/44/06/05/799440605.db2.gz IEARUIVFALZPPT-GGPKGHCWSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001032837196 799440610 /nfs/dbraw/zinc/44/06/10/799440610.db2.gz IEARUIVFALZPPT-GGPKGHCWSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178879707 799670045 /nfs/dbraw/zinc/67/00/45/799670045.db2.gz FIPWNDSXSIWFFZ-INIZCTEOSA-N 2 2 330.476 2.113 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178879707 799670052 /nfs/dbraw/zinc/67/00/52/799670052.db2.gz FIPWNDSXSIWFFZ-INIZCTEOSA-N 2 2 330.476 2.113 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855291 801373162 /nfs/dbraw/zinc/37/31/62/801373162.db2.gz HARXOFCBYBQVAW-OGHNNQOOSA-N 2 2 338.883 2.415 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855291 801373168 /nfs/dbraw/zinc/37/31/68/801373168.db2.gz HARXOFCBYBQVAW-OGHNNQOOSA-N 2 2 338.883 2.415 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001184435542 802033010 /nfs/dbraw/zinc/03/30/10/802033010.db2.gz DFSKWMZLJOVCCH-IAGOWNOFSA-N 2 2 344.503 2.412 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004579426 802412292 /nfs/dbraw/zinc/41/22/92/802412292.db2.gz KPCAAIZOFPNNNJ-INIZCTEOSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004579426 802412297 /nfs/dbraw/zinc/41/22/97/802412297.db2.gz KPCAAIZOFPNNNJ-INIZCTEOSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108250956 802454344 /nfs/dbraw/zinc/45/43/44/802454344.db2.gz YMCBLYXABAZDDT-SJLPKXTDSA-N 2 2 334.464 2.008 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108250956 802454348 /nfs/dbraw/zinc/45/43/48/802454348.db2.gz YMCBLYXABAZDDT-SJLPKXTDSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438604 803577071 /nfs/dbraw/zinc/57/70/71/803577071.db2.gz ZOEIRWQTKPDFFJ-MJGOQNOKSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438604 803577077 /nfs/dbraw/zinc/57/70/77/803577077.db2.gz ZOEIRWQTKPDFFJ-MJGOQNOKSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678643 811997790 /nfs/dbraw/zinc/99/77/90/811997790.db2.gz NRIONCXHHDCLJL-BJLQDIEVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678643 811997794 /nfs/dbraw/zinc/99/77/94/811997794.db2.gz NRIONCXHHDCLJL-BJLQDIEVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678643 811997798 /nfs/dbraw/zinc/99/77/98/811997798.db2.gz NRIONCXHHDCLJL-BJLQDIEVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678643 811997800 /nfs/dbraw/zinc/99/78/00/811997800.db2.gz NRIONCXHHDCLJL-BJLQDIEVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001479956516 1099396009 /nfs/dbraw/zinc/39/60/09/1099396009.db2.gz KDPCZFYBOWDXCY-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001479956516 1099396019 /nfs/dbraw/zinc/39/60/19/1099396019.db2.gz KDPCZFYBOWDXCY-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP CC(C)(C)NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344332483 161218009 /nfs/dbraw/zinc/21/80/09/161218009.db2.gz QEQRGVOXIUKTRG-UHFFFAOYSA-N 2 2 342.487 2.417 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768010 166327787 /nfs/dbraw/zinc/32/77/87/166327787.db2.gz VFJAFEFWHCHBCY-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768010 166327789 /nfs/dbraw/zinc/32/77/89/166327789.db2.gz VFJAFEFWHCHBCY-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285023301 267180125 /nfs/dbraw/zinc/18/01/25/267180125.db2.gz HDOOJNAOFPOIDI-AQXGTKIOSA-N 2 2 340.471 2.292 20 30 EEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285023301 267180127 /nfs/dbraw/zinc/18/01/27/267180127.db2.gz HDOOJNAOFPOIDI-AQXGTKIOSA-N 2 2 340.471 2.292 20 30 EEEDLP CC(C)C(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182076807 464566841 /nfs/dbraw/zinc/56/68/41/464566841.db2.gz NWANPHRUCGOTBA-UHFFFAOYSA-N 2 2 342.487 2.275 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000272620852 464681243 /nfs/dbraw/zinc/68/12/43/464681243.db2.gz YFEDXNNMTFKCSD-WDSOQIARSA-N 2 2 338.455 2.270 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000272620852 464681246 /nfs/dbraw/zinc/68/12/46/464681246.db2.gz YFEDXNNMTFKCSD-WDSOQIARSA-N 2 2 338.455 2.270 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000176397857 464765009 /nfs/dbraw/zinc/76/50/09/464765009.db2.gz JVVBQQAWRKILDE-UHFFFAOYSA-N 2 2 344.434 2.371 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000176397857 464765015 /nfs/dbraw/zinc/76/50/15/464765015.db2.gz JVVBQQAWRKILDE-UHFFFAOYSA-N 2 2 344.434 2.371 20 30 EEEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329750302 465421734 /nfs/dbraw/zinc/42/17/34/465421734.db2.gz UXXUKGUSIZOLHW-UONOGXRCSA-N 2 2 342.447 2.277 20 30 EEEDLP CN(C(=O)CCCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000360402283 465563413 /nfs/dbraw/zinc/56/34/13/465563413.db2.gz VKDLWXUMMQNSFK-ZWKOTPCHSA-N 2 2 334.508 2.476 20 30 EEEDLP CN(C(=O)CCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000360402283 465563418 /nfs/dbraw/zinc/56/34/18/465563418.db2.gz VKDLWXUMMQNSFK-ZWKOTPCHSA-N 2 2 334.508 2.476 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360621377 465584940 /nfs/dbraw/zinc/58/49/40/465584940.db2.gz XXPGEGXEGYMTBR-GHTZIAJQSA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360621377 465584943 /nfs/dbraw/zinc/58/49/43/465584943.db2.gz XXPGEGXEGYMTBR-GHTZIAJQSA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360621377 465584952 /nfs/dbraw/zinc/58/49/52/465584952.db2.gz XXPGEGXEGYMTBR-GHTZIAJQSA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360621377 465584961 /nfs/dbraw/zinc/58/49/61/465584961.db2.gz XXPGEGXEGYMTBR-GHTZIAJQSA-N 2 2 339.483 2.112 20 30 EEEDLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1C[C@H](C)O ZINC000331329612 466034247 /nfs/dbraw/zinc/03/42/47/466034247.db2.gz ODHZJAXSEODWNA-GOEBONIOSA-N 2 2 334.464 2.329 20 30 EEEDLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1C[C@H](C)O ZINC000331329612 466034255 /nfs/dbraw/zinc/03/42/55/466034255.db2.gz ODHZJAXSEODWNA-GOEBONIOSA-N 2 2 334.464 2.329 20 30 EEEDLP CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597212701 468481434 /nfs/dbraw/zinc/48/14/34/468481434.db2.gz AEIVBMDQYRNULX-SFHVURJKSA-N 2 2 346.519 2.477 20 30 EEEDLP CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597212701 468481437 /nfs/dbraw/zinc/48/14/37/468481437.db2.gz AEIVBMDQYRNULX-SFHVURJKSA-N 2 2 346.519 2.477 20 30 EEEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000340712539 466283207 /nfs/dbraw/zinc/28/32/07/466283207.db2.gz LQZKNVQRCPOFNT-UHFFFAOYSA-N 2 2 347.369 2.215 20 30 EEEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347058710 466357256 /nfs/dbraw/zinc/35/72/56/466357256.db2.gz QDQFNCIXRSOKHB-SFHVURJKSA-N 2 2 340.471 2.003 20 30 EEEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347058710 466357265 /nfs/dbraw/zinc/35/72/65/466357265.db2.gz QDQFNCIXRSOKHB-SFHVURJKSA-N 2 2 340.471 2.003 20 30 EEEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347058710 466357270 /nfs/dbraw/zinc/35/72/70/466357270.db2.gz QDQFNCIXRSOKHB-SFHVURJKSA-N 2 2 340.471 2.003 20 30 EEEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347058710 466357279 /nfs/dbraw/zinc/35/72/79/466357279.db2.gz QDQFNCIXRSOKHB-SFHVURJKSA-N 2 2 340.471 2.003 20 30 EEEDLP CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372605156 466501673 /nfs/dbraw/zinc/50/16/73/466501673.db2.gz FLVQCQVVCUNHBK-KRWDZBQOSA-N 2 2 343.431 2.071 20 30 EEEDLP CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372605156 466501679 /nfs/dbraw/zinc/50/16/79/466501679.db2.gz FLVQCQVVCUNHBK-KRWDZBQOSA-N 2 2 343.431 2.071 20 30 EEEDLP C[C@H]1C[NH+](CCOC2CC[NH+](CC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000450646073 467885834 /nfs/dbraw/zinc/88/58/34/467885834.db2.gz GXGJDZLAFXVLBQ-IRXDYDNUSA-N 2 2 335.492 2.270 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000566129955 468144117 /nfs/dbraw/zinc/14/41/17/468144117.db2.gz WMWPMTWEXRDSEG-JKSUJKDBSA-N 2 2 327.428 2.025 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000566129955 468144120 /nfs/dbraw/zinc/14/41/20/468144120.db2.gz WMWPMTWEXRDSEG-JKSUJKDBSA-N 2 2 327.428 2.025 20 30 EEEDLP Cc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823366 468527673 /nfs/dbraw/zinc/52/76/73/468527673.db2.gz OLHJRCXFJNZNNS-HXUWFJFHSA-N 2 2 336.439 2.335 20 30 EEEDLP Cc1cc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823366 468527675 /nfs/dbraw/zinc/52/76/75/468527675.db2.gz OLHJRCXFJNZNNS-HXUWFJFHSA-N 2 2 336.439 2.335 20 30 EEEDLP Cc1[nH+]cn(-c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)c1C ZINC000584716420 468919580 /nfs/dbraw/zinc/91/95/80/468919580.db2.gz OBTMVDDYNDQIHI-GOSISDBHSA-N 2 2 327.432 2.107 20 30 EEEDLP Cc1[nH+]cn(-c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)c1C ZINC000584716420 468919586 /nfs/dbraw/zinc/91/95/86/468919586.db2.gz OBTMVDDYNDQIHI-GOSISDBHSA-N 2 2 327.432 2.107 20 30 EEEDLP 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528179042 /nfs/dbraw/zinc/17/90/42/528179042.db2.gz KKGLLXZHYAMPSW-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000173791849 528179047 /nfs/dbraw/zinc/17/90/47/528179047.db2.gz KKGLLXZHYAMPSW-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000730098016 576714432 /nfs/dbraw/zinc/71/44/32/576714432.db2.gz RAQBNYNPVXZTAQ-NEWSRXKRSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000730098016 576714434 /nfs/dbraw/zinc/71/44/34/576714434.db2.gz RAQBNYNPVXZTAQ-NEWSRXKRSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000730098016 576714437 /nfs/dbraw/zinc/71/44/37/576714437.db2.gz RAQBNYNPVXZTAQ-NEWSRXKRSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000730098016 576714440 /nfs/dbraw/zinc/71/44/40/576714440.db2.gz 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CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252988801 1317747630 /nfs/dbraw/zinc/74/76/30/1317747630.db2.gz JSZIZIIDQPZXFN-SJORKVTESA-N 2 2 338.496 2.287 20 30 EEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153475 1318440502 /nfs/dbraw/zinc/44/05/02/1318440502.db2.gz KGXHXDAVAMXQFV-AEFFLSMTSA-N 2 2 332.492 2.477 20 30 EEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153475 1318440505 /nfs/dbraw/zinc/44/05/05/1318440505.db2.gz KGXHXDAVAMXQFV-AEFFLSMTSA-N 2 2 332.492 2.477 20 30 EEEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001158227716 1319097192 /nfs/dbraw/zinc/09/71/92/1319097192.db2.gz LWNZJZNCJHEWLC-QGZVFWFLSA-N 2 2 342.487 2.098 20 30 EEEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001158227716 1319097204 /nfs/dbraw/zinc/09/72/04/1319097204.db2.gz LWNZJZNCJHEWLC-QGZVFWFLSA-N 2 2 342.487 2.098 20 30 EEEDLP Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(C#N)c(C)c1Cl ZINC001158260249 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ZINC001089837247 777483443 /nfs/dbraw/zinc/48/34/43/777483443.db2.gz ACRACCCLMLJCBU-MHORFTMASA-N 2 2 348.450 2.140 20 30 EEEDLP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089837247 777483452 /nfs/dbraw/zinc/48/34/52/777483452.db2.gz ACRACCCLMLJCBU-MHORFTMASA-N 2 2 348.450 2.140 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028258380 779721291 /nfs/dbraw/zinc/72/12/91/779721291.db2.gz RAFOJJIRYKKHGX-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028258380 779721298 /nfs/dbraw/zinc/72/12/98/779721298.db2.gz RAFOJJIRYKKHGX-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C#CCOc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000092703829 780614369 /nfs/dbraw/zinc/61/43/69/780614369.db2.gz CAVLEQCGJSERII-UHFFFAOYSA-N 2 2 336.439 2.428 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001088337904 783557495 /nfs/dbraw/zinc/55/74/95/783557495.db2.gz QEWPXDZPSOWBNH-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481114 787356280 /nfs/dbraw/zinc/35/62/80/787356280.db2.gz HRYJWVUBMACTJN-VQIMIIECSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481114 787356291 /nfs/dbraw/zinc/35/62/91/787356291.db2.gz HRYJWVUBMACTJN-VQIMIIECSA-N 2 2 330.476 2.290 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1F ZINC001079293803 794563338 /nfs/dbraw/zinc/56/33/38/794563338.db2.gz SKBGIZPHWKWNQX-DOTOQJQBSA-N 2 2 342.418 2.252 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999534319 794603699 /nfs/dbraw/zinc/60/36/99/794603699.db2.gz CAZKFQAIZXJLKN-ZIAGYGMSSA-N 2 2 336.867 2.156 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999534319 794603705 /nfs/dbraw/zinc/60/37/05/794603705.db2.gz CAZKFQAIZXJLKN-ZIAGYGMSSA-N 2 2 336.867 2.156 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333705 795410504 /nfs/dbraw/zinc/41/05/04/795410504.db2.gz NQLZNNBZRWHYEF-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655736 796059329 /nfs/dbraw/zinc/05/93/29/796059329.db2.gz AUBCQXXMNYOVBZ-BNOWGMLFSA-N 2 2 336.867 2.266 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094452929 796261469 /nfs/dbraw/zinc/26/14/69/796261469.db2.gz HTLOPKHIWSNKCR-SQGPQFPESA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094452929 796261475 /nfs/dbraw/zinc/26/14/75/796261475.db2.gz HTLOPKHIWSNKCR-SQGPQFPESA-N 2 2 342.487 2.382 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904389 796446898 /nfs/dbraw/zinc/44/68/98/796446898.db2.gz RDOUOSWRVNTUPW-RDJZCZTQSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904389 796446901 /nfs/dbraw/zinc/44/69/01/796446901.db2.gz RDOUOSWRVNTUPW-RDJZCZTQSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904389 796446902 /nfs/dbraw/zinc/44/69/02/796446902.db2.gz RDOUOSWRVNTUPW-RDJZCZTQSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904389 796446905 /nfs/dbraw/zinc/44/69/05/796446905.db2.gz RDOUOSWRVNTUPW-RDJZCZTQSA-N 2 2 345.512 2.215 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081189589 796680689 /nfs/dbraw/zinc/68/06/89/796680689.db2.gz YPWBFBWVEUZJLE-DLBZAZTESA-N 2 2 344.846 2.289 20 30 EEEDLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970581 797176318 /nfs/dbraw/zinc/17/63/18/797176318.db2.gz HNQIQHZCBHVFBV-XHSDSOJGSA-N 2 2 336.480 2.352 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403053 798198695 /nfs/dbraw/zinc/19/86/95/798198695.db2.gz CWCUHGRHTDOHMT-BRWVUGGUSA-N 2 2 339.911 2.250 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403053 798198699 /nfs/dbraw/zinc/19/86/99/798198699.db2.gz CWCUHGRHTDOHMT-BRWVUGGUSA-N 2 2 339.911 2.250 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403053 798198704 /nfs/dbraw/zinc/19/87/04/798198704.db2.gz CWCUHGRHTDOHMT-BRWVUGGUSA-N 2 2 339.911 2.250 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403053 798198708 /nfs/dbraw/zinc/19/87/08/798198708.db2.gz CWCUHGRHTDOHMT-BRWVUGGUSA-N 2 2 339.911 2.250 20 30 EEEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957251 799717238 /nfs/dbraw/zinc/71/72/38/799717238.db2.gz UPHNSWLUMLLWFT-BZSNNMDCSA-N 2 2 348.491 2.252 20 30 EEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001182719352 801304782 /nfs/dbraw/zinc/30/47/82/801304782.db2.gz NHSZJJAMWGMHRE-HZPDHXFCSA-N 2 2 330.476 2.307 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469043 802153773 /nfs/dbraw/zinc/15/37/73/802153773.db2.gz LFCSUHHWOADORP-SFHVURJKSA-N 2 2 342.487 2.263 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469043 802153777 /nfs/dbraw/zinc/15/37/77/802153777.db2.gz LFCSUHHWOADORP-SFHVURJKSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470933 802158795 /nfs/dbraw/zinc/15/87/95/802158795.db2.gz WHUUPWJLSUFUGN-IEBWSBKVSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470933 802158801 /nfs/dbraw/zinc/15/88/01/802158801.db2.gz WHUUPWJLSUFUGN-IEBWSBKVSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001108255492 802529685 /nfs/dbraw/zinc/52/96/85/802529685.db2.gz DYPJDMFSSQBUTJ-LJQANCHMSA-N 2 2 348.491 2.180 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001108255492 802529689 /nfs/dbraw/zinc/52/96/89/802529689.db2.gz DYPJDMFSSQBUTJ-LJQANCHMSA-N 2 2 348.491 2.180 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001086368802 802840202 /nfs/dbraw/zinc/84/02/02/802840202.db2.gz XMOBAQVQQVUMRQ-BRSBDYLESA-N 2 2 342.487 2.214 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422610 803537296 /nfs/dbraw/zinc/53/72/96/803537296.db2.gz XLYYOSRBVYDCKF-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422610 803537300 /nfs/dbraw/zinc/53/73/00/803537300.db2.gz XLYYOSRBVYDCKF-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793511855 810375662 /nfs/dbraw/zinc/37/56/62/810375662.db2.gz NLHGQOMFIPUHGR-UHFFFAOYSA-N 2 2 339.443 2.083 20 30 EEEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793511855 810375667 /nfs/dbraw/zinc/37/56/67/810375667.db2.gz NLHGQOMFIPUHGR-UHFFFAOYSA-N 2 2 339.443 2.083 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520305729 1119144791 /nfs/dbraw/zinc/14/47/91/1119144791.db2.gz SCZKEGVYIQMCMG-MRXNPFEDSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520305729 1119144792 /nfs/dbraw/zinc/14/47/92/1119144792.db2.gz SCZKEGVYIQMCMG-MRXNPFEDSA-N 2 2 332.496 2.151 20 30 EEEDLP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cn2c([nH+]1)CCCC2 ZINC000330263829 529819528 /nfs/dbraw/zinc/81/95/28/529819528.db2.gz XBLAORCVWWQAQG-UHFFFAOYSA-N 2 2 345.491 2.235 20 30 EEEDLP CSCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344305527 161215626 /nfs/dbraw/zinc/21/56/26/161215626.db2.gz VDJDRKAWDAGITN-GOSISDBHSA-N 2 2 333.501 2.226 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000297734536 268114668 /nfs/dbraw/zinc/11/46/68/268114668.db2.gz SPONEIVSGRARET-IBGZPJMESA-N 2 2 338.455 2.270 20 30 EEEDLP CC(C)C[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000567464037 319381846 /nfs/dbraw/zinc/38/18/46/319381846.db2.gz CCOGLJFKSASLDE-UHFFFAOYSA-N 2 2 349.500 2.042 20 30 EEEDLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000328651997 465089631 /nfs/dbraw/zinc/08/96/31/465089631.db2.gz BRGUWMKEKNBHED-OAHLLOKOSA-N 2 2 329.448 2.378 20 30 EEEDLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000328651997 465089638 /nfs/dbraw/zinc/08/96/38/465089638.db2.gz BRGUWMKEKNBHED-OAHLLOKOSA-N 2 2 329.448 2.378 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)CC1 ZINC000296509151 465218105 /nfs/dbraw/zinc/21/81/05/465218105.db2.gz SNRIHUSMYLMZBE-OAHLLOKOSA-N 2 2 331.464 2.163 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccccc1C ZINC000087189212 462594663 /nfs/dbraw/zinc/59/46/63/462594663.db2.gz HWFBEXNUQPBRLC-AWEZNQCLSA-N 2 2 328.464 2.221 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000135045400 463111682 /nfs/dbraw/zinc/11/16/82/463111682.db2.gz CJKIROCZXQGHRB-UHFFFAOYSA-N 2 2 338.411 2.293 20 30 EEEDLP CC[N@H+](CCC#N)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000081040896 463385636 /nfs/dbraw/zinc/38/56/36/463385636.db2.gz AGEGOJJDQLCCQS-KRWDZBQOSA-N 2 2 342.487 2.391 20 30 EEEDLP CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000081040896 463385640 /nfs/dbraw/zinc/38/56/40/463385640.db2.gz AGEGOJJDQLCCQS-KRWDZBQOSA-N 2 2 342.487 2.391 20 30 EEEDLP C#CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000271071685 464278139 /nfs/dbraw/zinc/27/81/39/464278139.db2.gz VVGMUWMFFBHNBV-LJQANCHMSA-N 2 2 326.488 2.329 20 30 EEEDLP C#CCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000271071685 464278144 /nfs/dbraw/zinc/27/81/44/464278144.db2.gz VVGMUWMFFBHNBV-LJQANCHMSA-N 2 2 326.488 2.329 20 30 EEEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079263 464281455 /nfs/dbraw/zinc/28/14/55/464281455.db2.gz ICUZPZJDXXEOSX-IAGOWNOFSA-N 3 2 347.507 2.195 20 30 EEEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079263 464281459 /nfs/dbraw/zinc/28/14/59/464281459.db2.gz ICUZPZJDXXEOSX-IAGOWNOFSA-N 3 2 347.507 2.195 20 30 EEEDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000247687013 464701717 /nfs/dbraw/zinc/70/17/17/464701717.db2.gz SFTIXMOALBRDOH-ATZDWAIDSA-N 2 2 349.438 2.443 20 30 EEEDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000247687013 464701723 /nfs/dbraw/zinc/70/17/23/464701723.db2.gz SFTIXMOALBRDOH-ATZDWAIDSA-N 2 2 349.438 2.443 20 30 EEEDLP C[S@@](=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000282380946 464796720 /nfs/dbraw/zinc/79/67/20/464796720.db2.gz QRVWDDCXRFGXSU-HSZRJFAPSA-N 2 2 331.485 2.023 20 30 EEEDLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329896400 465466509 /nfs/dbraw/zinc/46/65/09/465466509.db2.gz KWRJHZFVZJKXKB-SJLPKXTDSA-N 2 2 346.475 2.427 20 30 EEEDLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329896400 465466514 /nfs/dbraw/zinc/46/65/14/465466514.db2.gz KWRJHZFVZJKXKB-SJLPKXTDSA-N 2 2 346.475 2.427 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424128464 466984288 /nfs/dbraw/zinc/98/42/88/466984288.db2.gz FKNSHPYRMQMPCO-UXLLHSPISA-N 2 2 344.459 2.255 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424128464 466984289 /nfs/dbraw/zinc/98/42/89/466984289.db2.gz FKNSHPYRMQMPCO-UXLLHSPISA-N 2 2 344.459 2.255 20 30 EEEDLP C[C@@H](c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1)[NH+]1CCOCC1 ZINC000424141510 466988635 /nfs/dbraw/zinc/98/86/35/466988635.db2.gz CSGDNGIOEHQZIL-WMLDXEAASA-N 2 2 330.432 2.039 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424293794 467023921 /nfs/dbraw/zinc/02/39/21/467023921.db2.gz JJFSVEQNIHELOR-DFQSSKMNSA-N 2 2 337.471 2.464 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424293794 467023926 /nfs/dbraw/zinc/02/39/26/467023926.db2.gz JJFSVEQNIHELOR-DFQSSKMNSA-N 2 2 337.471 2.464 20 30 EEEDLP C#CCn1ccc(C[N@@H+](CCCc2ccc(C)[nH+]c2)CCOC)n1 ZINC000490740959 468244836 /nfs/dbraw/zinc/24/48/36/468244836.db2.gz RVICJYJRCASABH-UHFFFAOYSA-N 2 2 326.444 2.301 20 30 EEEDLP C#CCn1ccc(C[N@H+](CCCc2ccc(C)[nH+]c2)CCOC)n1 ZINC000490740959 468244838 /nfs/dbraw/zinc/24/48/38/468244838.db2.gz RVICJYJRCASABH-UHFFFAOYSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569573024 468512418 /nfs/dbraw/zinc/51/24/18/468512418.db2.gz OEDNZIYTEBWMDR-KGLIPLIRSA-N 2 2 347.488 2.187 20 30 EEEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569573024 468512420 /nfs/dbraw/zinc/51/24/20/468512420.db2.gz OEDNZIYTEBWMDR-KGLIPLIRSA-N 2 2 347.488 2.187 20 30 EEEDLP C[N@H+](Cc1cccc(C#N)n1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602623553 468971373 /nfs/dbraw/zinc/97/13/73/468971373.db2.gz IFRKQDBDVKUEGB-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP C[N@@H+](Cc1cccc(C#N)n1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602623553 468971379 /nfs/dbraw/zinc/97/13/79/468971379.db2.gz IFRKQDBDVKUEGB-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1cccc(C#N)n1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602623553 468971384 /nfs/dbraw/zinc/97/13/84/468971384.db2.gz IFRKQDBDVKUEGB-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP C[NH+](Cc1cccc(C#N)n1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602623553 468971388 /nfs/dbraw/zinc/97/13/88/468971388.db2.gz IFRKQDBDVKUEGB-FQEVSTJZSA-N 2 2 336.439 2.022 20 30 EEEDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426506 469392408 /nfs/dbraw/zinc/39/24/08/469392408.db2.gz AEMAOBCXELGSJN-PXNSSMCTSA-N 2 2 342.487 2.005 20 30 EEEDLP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160047141 526379831 /nfs/dbraw/zinc/37/98/31/526379831.db2.gz HIGDOZQYTVFCLW-WBMJQRKESA-N 2 2 330.436 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576081 676229597 /nfs/dbraw/zinc/22/95/97/676229597.db2.gz RHGRSHLZOKXNNR-CABCVRRESA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576081 676229599 /nfs/dbraw/zinc/22/95/99/676229599.db2.gz RHGRSHLZOKXNNR-CABCVRRESA-N 2 2 336.867 2.408 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024578423 681227593 /nfs/dbraw/zinc/22/75/93/681227593.db2.gz STJBTHHGJGDZKB-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024578423 681227597 /nfs/dbraw/zinc/22/75/97/681227597.db2.gz STJBTHHGJGDZKB-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262759886 688376739 /nfs/dbraw/zinc/37/67/39/688376739.db2.gz FQVHPWSWASYZAW-SOUVJXGZSA-N 2 2 332.496 2.120 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1cccc(Cl)c1 ZINC000262788330 688462663 /nfs/dbraw/zinc/46/26/63/688462663.db2.gz NIZJMEIMYWWHFU-UHFFFAOYSA-N 2 2 348.882 2.347 20 30 EEEDLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cccc(C#N)c1 ZINC001482150988 1183469248 /nfs/dbraw/zinc/46/92/48/1183469248.db2.gz XSJDTGKZPGLKPY-CABCVRRESA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1cccc(C#N)c1 ZINC001482150988 1183469253 /nfs/dbraw/zinc/46/92/53/1183469253.db2.gz XSJDTGKZPGLKPY-CABCVRRESA-N 2 2 339.443 2.002 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001088385933 1186764326 /nfs/dbraw/zinc/76/43/26/1186764326.db2.gz XUVSSSKLJZSGSP-BRWVUGGUSA-N 2 2 330.476 2.461 20 30 EEEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001105522316 1188146468 /nfs/dbraw/zinc/14/64/68/1188146468.db2.gz GTELHGURCIQNDA-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001105522316 1188146471 /nfs/dbraw/zinc/14/64/71/1188146471.db2.gz GTELHGURCIQNDA-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033914359 1195473484 /nfs/dbraw/zinc/47/34/84/1195473484.db2.gz XAFTXALHCATYEV-IBGZPJMESA-N 2 2 336.439 2.432 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033914359 1195473487 /nfs/dbraw/zinc/47/34/87/1195473487.db2.gz XAFTXALHCATYEV-IBGZPJMESA-N 2 2 336.439 2.432 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001014776657 1224333252 /nfs/dbraw/zinc/33/32/52/1224333252.db2.gz QZQAQIZDFJMXSW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001014776657 1224333262 /nfs/dbraw/zinc/33/32/62/1224333262.db2.gz QZQAQIZDFJMXSW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001014776657 1224333270 /nfs/dbraw/zinc/33/32/70/1224333270.db2.gz QZQAQIZDFJMXSW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001014776657 1224333277 /nfs/dbraw/zinc/33/32/77/1224333277.db2.gz QZQAQIZDFJMXSW-UXHICEINSA-N 2 2 339.483 2.092 20 30 EEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001018168248 1224419947 /nfs/dbraw/zinc/41/99/47/1224419947.db2.gz RTQJSAOAYYBSBL-WSTZPKSXSA-N 2 2 327.472 2.325 20 30 EEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001018168248 1224419949 /nfs/dbraw/zinc/41/99/49/1224419949.db2.gz RTQJSAOAYYBSBL-WSTZPKSXSA-N 2 2 327.472 2.325 20 30 EEEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919381 1200195547 /nfs/dbraw/zinc/19/55/47/1200195547.db2.gz JFYXUKXBWWALNQ-RDJZCZTQSA-N 2 2 330.476 2.024 20 30 EEEDLP C[NH+]1CCN(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000879591911 1201162014 /nfs/dbraw/zinc/16/20/14/1201162014.db2.gz VAMPWQSUQVFDOG-UHFFFAOYSA-N 2 2 337.471 2.023 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001110845682 1204915406 /nfs/dbraw/zinc/91/54/06/1204915406.db2.gz SHALWSMVLBZLNI-VQHPVUNQSA-N 2 2 330.476 2.429 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001110845682 1204915409 /nfs/dbraw/zinc/91/54/09/1204915409.db2.gz SHALWSMVLBZLNI-VQHPVUNQSA-N 2 2 330.476 2.429 20 30 EEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001095647483 1205902448 /nfs/dbraw/zinc/90/24/48/1205902448.db2.gz VABSADCKURXZCM-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001095647483 1205902450 /nfs/dbraw/zinc/90/24/50/1205902450.db2.gz VABSADCKURXZCM-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001095647483 1205902452 /nfs/dbraw/zinc/90/24/52/1205902452.db2.gz VABSADCKURXZCM-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001095647483 1205902454 /nfs/dbraw/zinc/90/24/54/1205902454.db2.gz VABSADCKURXZCM-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948785962 1209375768 /nfs/dbraw/zinc/37/57/68/1209375768.db2.gz SRTBMNUUWJYLRS-GVDBMIGSSA-N 2 2 330.476 2.413 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948785962 1209375769 /nfs/dbraw/zinc/37/57/69/1209375769.db2.gz SRTBMNUUWJYLRS-GVDBMIGSSA-N 2 2 330.476 2.413 20 30 EEEDLP CCc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000303786439 1213905170 /nfs/dbraw/zinc/90/51/70/1213905170.db2.gz RKEJTNNSGXBHKR-GOSISDBHSA-N 2 2 331.508 2.248 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000960256568 1216455214 /nfs/dbraw/zinc/45/52/14/1216455214.db2.gz ZRIQFVXPBYFWNB-BRWVUGGUSA-N 2 2 333.863 2.205 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000960256568 1216455217 /nfs/dbraw/zinc/45/52/17/1216455217.db2.gz ZRIQFVXPBYFWNB-BRWVUGGUSA-N 2 2 333.863 2.205 20 30 EEEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000960308234 1216484652 /nfs/dbraw/zinc/48/46/52/1216484652.db2.gz RGDCKXZFOTXRMF-KBAYOESNSA-N 2 2 336.439 2.387 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963300172 1217490608 /nfs/dbraw/zinc/49/06/08/1217490608.db2.gz YHHYSGRUEPOBOR-IRXDYDNUSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963300172 1217490611 /nfs/dbraw/zinc/49/06/11/1217490611.db2.gz YHHYSGRUEPOBOR-IRXDYDNUSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963313654 1217505562 /nfs/dbraw/zinc/50/55/62/1217505562.db2.gz HJZKMYSGJWSLPI-WMZOPIPTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963313654 1217505564 /nfs/dbraw/zinc/50/55/64/1217505564.db2.gz HJZKMYSGJWSLPI-WMZOPIPTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963313654 1217505568 /nfs/dbraw/zinc/50/55/68/1217505568.db2.gz HJZKMYSGJWSLPI-WMZOPIPTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963313654 1217505571 /nfs/dbraw/zinc/50/55/71/1217505571.db2.gz HJZKMYSGJWSLPI-WMZOPIPTSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007519045 1222273563 /nfs/dbraw/zinc/27/35/63/1222273563.db2.gz HQSJSVVJSLJVGU-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007519045 1222273566 /nfs/dbraw/zinc/27/35/66/1222273566.db2.gz HQSJSVVJSLJVGU-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007519045 1222273567 /nfs/dbraw/zinc/27/35/67/1222273567.db2.gz HQSJSVVJSLJVGU-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007519045 1222273571 /nfs/dbraw/zinc/27/35/71/1222273571.db2.gz HQSJSVVJSLJVGU-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007519353 1222274049 /nfs/dbraw/zinc/27/40/49/1222274049.db2.gz OXUNPMVULAIIOK-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007519353 1222274052 /nfs/dbraw/zinc/27/40/52/1222274052.db2.gz OXUNPMVULAIIOK-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007519353 1222274055 /nfs/dbraw/zinc/27/40/55/1222274055.db2.gz OXUNPMVULAIIOK-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007519353 1222274058 /nfs/dbraw/zinc/27/40/58/1222274058.db2.gz OXUNPMVULAIIOK-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009183133 1223168476 /nfs/dbraw/zinc/16/84/76/1223168476.db2.gz PIDDSXSJHCNXAT-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009183133 1223168478 /nfs/dbraw/zinc/16/84/78/1223168478.db2.gz PIDDSXSJHCNXAT-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001039169941 1230394766 /nfs/dbraw/zinc/39/47/66/1230394766.db2.gz IDOBDRARMRWUPO-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001039169941 1230394770 /nfs/dbraw/zinc/39/47/70/1230394770.db2.gz IDOBDRARMRWUPO-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039205655 1230432447 /nfs/dbraw/zinc/43/24/47/1230432447.db2.gz XJJIMDKYRXZRRO-RCCFBDPRSA-N 2 2 340.471 2.097 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039205655 1230432449 /nfs/dbraw/zinc/43/24/49/1230432449.db2.gz XJJIMDKYRXZRRO-RCCFBDPRSA-N 2 2 340.471 2.097 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039205655 1230432451 /nfs/dbraw/zinc/43/24/51/1230432451.db2.gz XJJIMDKYRXZRRO-RCCFBDPRSA-N 2 2 340.471 2.097 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039205655 1230432453 /nfs/dbraw/zinc/43/24/53/1230432453.db2.gz XJJIMDKYRXZRRO-RCCFBDPRSA-N 2 2 340.471 2.097 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377309 1230563014 /nfs/dbraw/zinc/56/30/14/1230563014.db2.gz RAUJYWWZAWXMMB-BBWFWOEESA-N 2 2 328.460 2.095 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377309 1230563015 /nfs/dbraw/zinc/56/30/15/1230563015.db2.gz RAUJYWWZAWXMMB-BBWFWOEESA-N 2 2 328.460 2.095 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001040773501 1231363203 /nfs/dbraw/zinc/36/32/03/1231363203.db2.gz VVKXWLGHLZHIPH-UHFFFAOYSA-N 2 2 336.439 2.286 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972638 1234257950 /nfs/dbraw/zinc/25/79/50/1234257950.db2.gz GIPFRRBVXXZRMA-FXAWDEMLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972638 1234257953 /nfs/dbraw/zinc/25/79/53/1234257953.db2.gz GIPFRRBVXXZRMA-FXAWDEMLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972638 1234257955 /nfs/dbraw/zinc/25/79/55/1234257955.db2.gz GIPFRRBVXXZRMA-FXAWDEMLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972638 1234257958 /nfs/dbraw/zinc/25/79/58/1234257958.db2.gz GIPFRRBVXXZRMA-FXAWDEMLSA-N 2 2 342.487 2.316 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561987 1234940774 /nfs/dbraw/zinc/94/07/74/1234940774.db2.gz KVUOAXQULYJPLP-RDJZCZTQSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561987 1234940777 /nfs/dbraw/zinc/94/07/77/1234940777.db2.gz KVUOAXQULYJPLP-RDJZCZTQSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561987 1234940780 /nfs/dbraw/zinc/94/07/80/1234940780.db2.gz KVUOAXQULYJPLP-RDJZCZTQSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561987 1234940784 /nfs/dbraw/zinc/94/07/84/1234940784.db2.gz KVUOAXQULYJPLP-RDJZCZTQSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001048542518 1237921326 /nfs/dbraw/zinc/92/13/26/1237921326.db2.gz PSZZOUSJWYGVRC-FJIDUMEYSA-N 2 2 342.487 2.381 20 30 EEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001048542518 1237921330 /nfs/dbraw/zinc/92/13/30/1237921330.db2.gz PSZZOUSJWYGVRC-FJIDUMEYSA-N 2 2 342.487 2.381 20 30 EEEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681373 1240722651 /nfs/dbraw/zinc/72/26/51/1240722651.db2.gz BKGCLJZGNWMRHI-DLBZAZTESA-N 2 2 337.895 2.362 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681373 1240722656 /nfs/dbraw/zinc/72/26/56/1240722656.db2.gz BKGCLJZGNWMRHI-DLBZAZTESA-N 2 2 337.895 2.362 20 30 EEEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000681373 1240722661 /nfs/dbraw/zinc/72/26/61/1240722661.db2.gz BKGCLJZGNWMRHI-DLBZAZTESA-N 2 2 337.895 2.362 20 30 EEEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000681373 1240722670 /nfs/dbraw/zinc/72/26/70/1240722670.db2.gz BKGCLJZGNWMRHI-DLBZAZTESA-N 2 2 337.895 2.362 20 30 EEEDLP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000871384 1241097118 /nfs/dbraw/zinc/09/71/18/1241097118.db2.gz QLVATQOTROGJFZ-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000871384 1241097132 /nfs/dbraw/zinc/09/71/32/1241097132.db2.gz QLVATQOTROGJFZ-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001000871384 1241097138 /nfs/dbraw/zinc/09/71/38/1241097138.db2.gz QLVATQOTROGJFZ-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001000871384 1241097145 /nfs/dbraw/zinc/09/71/45/1241097145.db2.gz QLVATQOTROGJFZ-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049871327 1242482905 /nfs/dbraw/zinc/48/29/05/1242482905.db2.gz QHHIPJCRBKDDKV-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049871327 1242482907 /nfs/dbraw/zinc/48/29/07/1242482907.db2.gz QHHIPJCRBKDDKV-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001050660725 1244064724 /nfs/dbraw/zinc/06/47/24/1244064724.db2.gz YUAYUOJPUUQZDS-OAHLLOKOSA-N 2 2 328.460 2.330 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036134 1245733194 /nfs/dbraw/zinc/73/31/94/1245733194.db2.gz HGNVRAXSPOPDOR-RTBURBONSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036134 1245733202 /nfs/dbraw/zinc/73/32/02/1245733202.db2.gz HGNVRAXSPOPDOR-RTBURBONSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053051673 1245774424 /nfs/dbraw/zinc/77/44/24/1245774424.db2.gz QAEDRLKUSDAWCS-ROUUACIJSA-N 2 2 342.487 2.235 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053051673 1245774430 /nfs/dbraw/zinc/77/44/30/1245774430.db2.gz QAEDRLKUSDAWCS-ROUUACIJSA-N 2 2 342.487 2.235 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)O2 ZINC001053621690 1246547122 /nfs/dbraw/zinc/54/71/22/1246547122.db2.gz JEBAUBRBUFSQSB-QZTJIDSGSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)O2 ZINC001053621690 1246547127 /nfs/dbraw/zinc/54/71/27/1246547127.db2.gz JEBAUBRBUFSQSB-QZTJIDSGSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)O2 ZINC001053646706 1246584527 /nfs/dbraw/zinc/58/45/27/1246584527.db2.gz CRPGBKVRVFWQEB-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)O2 ZINC001053646706 1246584535 /nfs/dbraw/zinc/58/45/35/1246584535.db2.gz CRPGBKVRVFWQEB-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053673683 1246625451 /nfs/dbraw/zinc/62/54/51/1246625451.db2.gz FGYKDRUHRVDSCL-ZWKOTPCHSA-N 2 2 349.519 2.175 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195286 1247678508 /nfs/dbraw/zinc/67/85/08/1247678508.db2.gz ILTHCHYXLFFWOM-HNAYVOBHSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195286 1247678519 /nfs/dbraw/zinc/67/85/19/1247678519.db2.gz ILTHCHYXLFFWOM-HNAYVOBHSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C2 ZINC001054246681 1247872482 /nfs/dbraw/zinc/87/24/82/1247872482.db2.gz GNSIVSQJIRHZDH-AZUAARDMSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C2 ZINC001054246681 1247872494 /nfs/dbraw/zinc/87/24/94/1247872494.db2.gz GNSIVSQJIRHZDH-AZUAARDMSA-N 2 2 342.487 2.185 20 30 EEEDLP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001072080943 1254920148 /nfs/dbraw/zinc/92/01/48/1254920148.db2.gz DPFBLESJESSEKP-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001072080943 1254920153 /nfs/dbraw/zinc/92/01/53/1254920153.db2.gz DPFBLESJESSEKP-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001098911633 1257857456 /nfs/dbraw/zinc/85/74/56/1257857456.db2.gz VPCQARSVNQARCM-GUXCAODWSA-N 2 2 342.487 2.370 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001098911633 1257857461 /nfs/dbraw/zinc/85/74/61/1257857461.db2.gz VPCQARSVNQARCM-GUXCAODWSA-N 2 2 342.487 2.370 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001098911633 1257857472 /nfs/dbraw/zinc/85/74/72/1257857472.db2.gz VPCQARSVNQARCM-GUXCAODWSA-N 2 2 342.487 2.370 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001098911633 1257857481 /nfs/dbraw/zinc/85/74/81/1257857481.db2.gz VPCQARSVNQARCM-GUXCAODWSA-N 2 2 342.487 2.370 20 30 EEEDLP C#C[C@@H](C)[NH+](C)Cc1cccc(C(=O)OC)c1C[N@H+](C)[C@H](C)C#C ZINC000851990270 1291944328 /nfs/dbraw/zinc/94/43/28/1291944328.db2.gz QCCDVDIFGWSGQX-HZPDHXFCSA-N 2 2 326.440 2.380 20 30 EEEDLP C#C[C@@H](C)[NH+](C)Cc1cccc(C(=O)OC)c1C[N@@H+](C)[C@H](C)C#C ZINC000851990270 1291944331 /nfs/dbraw/zinc/94/43/31/1291944331.db2.gz QCCDVDIFGWSGQX-HZPDHXFCSA-N 2 2 326.440 2.380 20 30 EEEDLP C#C[C@@H](C)[NH+](C)Cc1c(C[N@H+](C)[C@H](C)C#C)cccc1C(=O)OC ZINC000851990270 1291944334 /nfs/dbraw/zinc/94/43/34/1291944334.db2.gz QCCDVDIFGWSGQX-HZPDHXFCSA-N 2 2 326.440 2.380 20 30 EEEDLP C#C[C@@H](C)[NH+](C)Cc1c(C[N@@H+](C)[C@H](C)C#C)cccc1C(=O)OC ZINC000851990270 1291944339 /nfs/dbraw/zinc/94/43/39/1291944339.db2.gz QCCDVDIFGWSGQX-HZPDHXFCSA-N 2 2 326.440 2.380 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001110730708 1293916807 /nfs/dbraw/zinc/91/68/07/1293916807.db2.gz CZQFCHAXQNABDZ-IDCNUPLLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001110730708 1293916809 /nfs/dbraw/zinc/91/68/09/1293916809.db2.gz CZQFCHAXQNABDZ-IDCNUPLLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H](OC)C1 ZINC001213713198 1296145123 /nfs/dbraw/zinc/14/51/23/1296145123.db2.gz MTJRLJJJGZSTKT-QRVBRYPASA-N 2 2 345.487 2.071 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H](OC)C1 ZINC001213713198 1296145127 /nfs/dbraw/zinc/14/51/27/1296145127.db2.gz MTJRLJJJGZSTKT-QRVBRYPASA-N 2 2 345.487 2.071 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713198 1296145132 /nfs/dbraw/zinc/14/51/32/1296145132.db2.gz MTJRLJJJGZSTKT-QRVBRYPASA-N 2 2 345.487 2.071 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713198 1296145139 /nfs/dbraw/zinc/14/51/39/1296145139.db2.gz MTJRLJJJGZSTKT-QRVBRYPASA-N 2 2 345.487 2.071 20 30 EEEDLP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001218621875 1297739296 /nfs/dbraw/zinc/73/92/96/1297739296.db2.gz WARVHMIZWRPTSA-VLIAUNLRSA-N 2 2 346.434 2.023 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001099103758 1298899315 /nfs/dbraw/zinc/89/93/15/1298899315.db2.gz XNESVRFJJJBLNS-RXVVDRJESA-N 2 2 348.450 2.480 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001099103758 1298899327 /nfs/dbraw/zinc/89/93/27/1298899327.db2.gz XNESVRFJJJBLNS-RXVVDRJESA-N 2 2 348.450 2.480 20 30 EEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001101552973 1299686945 /nfs/dbraw/zinc/68/69/45/1299686945.db2.gz WHEUCUUSZQYQBF-INIZCTEOSA-N 2 2 344.503 2.486 20 30 EEEDLP C#CCC[NH+]1CCC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001224846797 1300755986 /nfs/dbraw/zinc/75/59/86/1300755986.db2.gz SCUYSTXHRLWZCL-UHFFFAOYSA-N 2 2 338.455 2.037 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001227473719 1301841286 /nfs/dbraw/zinc/84/12/86/1301841286.db2.gz AITWCGPCLJOCQR-SFHVURJKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001227473719 1301841295 /nfs/dbraw/zinc/84/12/95/1301841295.db2.gz AITWCGPCLJOCQR-SFHVURJKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001229870783 1302972669 /nfs/dbraw/zinc/97/26/69/1302972669.db2.gz SDEOVXSUEZOSHO-UHFFFAOYSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103451963 1302981553 /nfs/dbraw/zinc/98/15/53/1302981553.db2.gz FEJYEESMOTWVBC-QBPKDAKJSA-N 2 2 330.476 2.174 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103451963 1302981556 /nfs/dbraw/zinc/98/15/56/1302981556.db2.gz FEJYEESMOTWVBC-QBPKDAKJSA-N 2 2 330.476 2.174 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628878 1303335500 /nfs/dbraw/zinc/33/55/00/1303335500.db2.gz KTHLZRYIMFELLF-LJQANCHMSA-N 2 2 342.487 2.390 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628878 1303335507 /nfs/dbraw/zinc/33/55/07/1303335507.db2.gz KTHLZRYIMFELLF-LJQANCHMSA-N 2 2 342.487 2.390 20 30 EEEDLP C=CCCC[N@@H+]1CCc2[nH]nc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001277779257 1304396235 /nfs/dbraw/zinc/39/62/35/1304396235.db2.gz DGFKXBHTQGHNJR-UHFFFAOYSA-N 2 2 347.507 2.148 20 30 EEEDLP C=CCCC[N@H+]1CCc2[nH]nc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001277779257 1304396240 /nfs/dbraw/zinc/39/62/40/1304396240.db2.gz DGFKXBHTQGHNJR-UHFFFAOYSA-N 2 2 347.507 2.148 20 30 EEEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001115603910 1305486464 /nfs/dbraw/zinc/48/64/64/1305486464.db2.gz YXTNHPNGCVLHTJ-MRXNPFEDSA-N 2 2 330.476 2.430 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(CC)s2)CC1 ZINC001237831605 1306113021 /nfs/dbraw/zinc/11/30/21/1306113021.db2.gz ZSCRYPSSRGIGGX-UHFFFAOYSA-N 2 2 334.533 2.497 20 30 EEEDLP CC(C)(C)OC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001253476335 1317868805 /nfs/dbraw/zinc/86/88/05/1317868805.db2.gz UPYVEWHHDFUEAK-LJQANCHMSA-N 2 2 345.487 2.288 20 30 EEEDLP N#Cc1ccc(-c2ccc(F)cc2)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157093453 1318398346 /nfs/dbraw/zinc/39/83/46/1318398346.db2.gz BBFSXLMYDNIVNW-UHFFFAOYSA-N 2 2 326.379 2.435 20 30 EEEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256966621 1318906519 /nfs/dbraw/zinc/90/65/19/1318906519.db2.gz LRXNTGKBIFREIJ-CTWPCTMYSA-N 2 2 335.492 2.130 20 30 EEEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256966621 1318906521 /nfs/dbraw/zinc/90/65/21/1318906521.db2.gz LRXNTGKBIFREIJ-CTWPCTMYSA-N 2 2 335.492 2.130 20 30 EEEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256966621 1318906524 /nfs/dbraw/zinc/90/65/24/1318906524.db2.gz LRXNTGKBIFREIJ-CTWPCTMYSA-N 2 2 335.492 2.130 20 30 EEEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256966621 1318906525 /nfs/dbraw/zinc/90/65/25/1318906525.db2.gz LRXNTGKBIFREIJ-CTWPCTMYSA-N 2 2 335.492 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160545984 1320192538 /nfs/dbraw/zinc/19/25/38/1320192538.db2.gz REJWYGQVVNYODT-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160545984 1320192542 /nfs/dbraw/zinc/19/25/42/1320192542.db2.gz REJWYGQVVNYODT-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP CCOC(=O)CC1([NH3+])CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001163528600 1321149686 /nfs/dbraw/zinc/14/96/86/1321149686.db2.gz YVAYETJIRNCSCK-UHFFFAOYSA-N 2 2 338.411 2.357 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001166808942 1321791448 /nfs/dbraw/zinc/79/14/48/1321791448.db2.gz KXXJBJJWQYKGNE-GOSISDBHSA-N 2 2 349.519 2.082 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001166808942 1321791452 /nfs/dbraw/zinc/79/14/52/1321791452.db2.gz KXXJBJJWQYKGNE-GOSISDBHSA-N 2 2 349.519 2.082 20 30 EEEDLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203442923 1321881818 /nfs/dbraw/zinc/88/18/18/1321881818.db2.gz MFHJWGCSAIFDPH-RBUKOAKNSA-N 2 2 348.450 2.021 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001206013010 1323369220 /nfs/dbraw/zinc/36/92/20/1323369220.db2.gz FSZZMDSKUZAZEK-LJQANCHMSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001206013010 1323369225 /nfs/dbraw/zinc/36/92/25/1323369225.db2.gz FSZZMDSKUZAZEK-LJQANCHMSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210643166 1325364245 /nfs/dbraw/zinc/36/42/45/1325364245.db2.gz HZQXMUKRWLOQNF-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cc(C#N)ccn3)CC2)C1 ZINC001276688785 1325405584 /nfs/dbraw/zinc/40/55/84/1325405584.db2.gz SOGIDBXAIJDLLD-UHFFFAOYSA-N 2 2 341.503 2.193 20 30 EEEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC001574757454 1343697306 /nfs/dbraw/zinc/69/73/06/1343697306.db2.gz PYIGKHYXLKKWGA-VQTJNVASSA-N 2 2 333.435 2.423 20 30 EEEDLP C#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC001574757454 1343697308 /nfs/dbraw/zinc/69/73/08/1343697308.db2.gz PYIGKHYXLKKWGA-VQTJNVASSA-N 2 2 333.435 2.423 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132523034 1367753965 /nfs/dbraw/zinc/75/39/65/1367753965.db2.gz WRKBQVBHPSZJOC-CABCVRRESA-N 2 2 348.516 2.429 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132523034 1367753971 /nfs/dbraw/zinc/75/39/71/1367753971.db2.gz WRKBQVBHPSZJOC-CABCVRRESA-N 2 2 348.516 2.429 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132523034 1367753976 /nfs/dbraw/zinc/75/39/76/1367753976.db2.gz WRKBQVBHPSZJOC-CABCVRRESA-N 2 2 348.516 2.429 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132523034 1367753985 /nfs/dbraw/zinc/75/39/85/1367753985.db2.gz WRKBQVBHPSZJOC-CABCVRRESA-N 2 2 348.516 2.429 20 30 EEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001112437166 1371441826 /nfs/dbraw/zinc/44/18/26/1371441826.db2.gz ZYRNOVJOZMHFEQ-ZWOKBUDYSA-N 2 2 342.487 2.240 20 30 EEEDLP CN(C(=O)C#CC1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000837499958 1372787979 /nfs/dbraw/zinc/78/79/79/1372787979.db2.gz ZDCVMOVSIWMEGE-MOPGFXCFSA-N 2 2 331.504 2.195 20 30 EEEDLP CN(C(=O)C#CC1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000837499958 1372787980 /nfs/dbraw/zinc/78/79/80/1372787980.db2.gz ZDCVMOVSIWMEGE-MOPGFXCFSA-N 2 2 331.504 2.195 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC[NH+]1CCCCC1 ZINC001367553062 1374209820 /nfs/dbraw/zinc/20/98/20/1374209820.db2.gz WBOCHCHGCQUOFU-UHFFFAOYSA-N 2 2 342.487 2.324 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC[NH+]1CCCCC1 ZINC001367553062 1374209822 /nfs/dbraw/zinc/20/98/22/1374209822.db2.gz WBOCHCHGCQUOFU-UHFFFAOYSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001392734843 1390181167 /nfs/dbraw/zinc/18/11/67/1390181167.db2.gz IHPAANIXQKWRGV-GDBMZVCRSA-N 2 2 338.883 2.370 20 30 EEEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001755376437 1407379961 /nfs/dbraw/zinc/37/99/61/1407379961.db2.gz DCZNXVPJMCRXBP-RDTXWAMCSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001755376437 1407379976 /nfs/dbraw/zinc/37/99/76/1407379976.db2.gz DCZNXVPJMCRXBP-RDTXWAMCSA-N 2 2 345.491 2.193 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)CC(F)(F)F)CC2)c1 ZINC001772050654 1410026120 /nfs/dbraw/zinc/02/61/20/1410026120.db2.gz RDQCDRYYPPVTIL-MRXNPFEDSA-N 2 2 341.377 2.426 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097781 769061755 /nfs/dbraw/zinc/06/17/55/769061755.db2.gz ZTEBTYYWURAQLS-GDBMZVCRSA-N 2 2 338.883 2.490 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC ZINC001089652685 773849808 /nfs/dbraw/zinc/84/98/08/773849808.db2.gz JHFSJGVIRAWEAP-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC ZINC001089652685 773849814 /nfs/dbraw/zinc/84/98/14/773849814.db2.gz JHFSJGVIRAWEAP-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC ZINC001089652685 773849818 /nfs/dbraw/zinc/84/98/18/773849818.db2.gz JHFSJGVIRAWEAP-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC ZINC001089652685 773849822 /nfs/dbraw/zinc/84/98/22/773849822.db2.gz JHFSJGVIRAWEAP-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089661229 774075962 /nfs/dbraw/zinc/07/59/62/774075962.db2.gz UQYJIDRHSXSHFO-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089661229 774075966 /nfs/dbraw/zinc/07/59/66/774075966.db2.gz UQYJIDRHSXSHFO-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981383261 777275489 /nfs/dbraw/zinc/27/54/89/777275489.db2.gz AZEAXNAXHMOCIK-HOTGVXAUSA-N 2 2 326.444 2.388 20 30 EEEDLP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC000981438268 777412424 /nfs/dbraw/zinc/41/24/24/777412424.db2.gz NFNRSPBBWIKLLD-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC000981438268 777412427 /nfs/dbraw/zinc/41/24/27/777412427.db2.gz NFNRSPBBWIKLLD-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP 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C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418272 792431100 /nfs/dbraw/zinc/43/11/00/792431100.db2.gz FFRCWVFCDWDHLA-HZPDHXFCSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418272 792431106 /nfs/dbraw/zinc/43/11/06/792431106.db2.gz FFRCWVFCDWDHLA-HZPDHXFCSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418272 792431113 /nfs/dbraw/zinc/43/11/13/792431113.db2.gz FFRCWVFCDWDHLA-HZPDHXFCSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001086944294 793039992 /nfs/dbraw/zinc/03/99/92/793039992.db2.gz UMWRCBDTUUYLFK-GVDBMIGSSA-N 2 2 342.487 2.413 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079844046 795274907 /nfs/dbraw/zinc/27/49/07/795274907.db2.gz XGGVVFVGJFLUPR-FVQBIDKESA-N 2 2 327.900 2.153 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844046 795274910 /nfs/dbraw/zinc/27/49/10/795274910.db2.gz XGGVVFVGJFLUPR-FVQBIDKESA-N 2 2 327.900 2.153 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844046 795274914 /nfs/dbraw/zinc/27/49/14/795274914.db2.gz XGGVVFVGJFLUPR-FVQBIDKESA-N 2 2 327.900 2.153 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844046 795274918 /nfs/dbraw/zinc/27/49/18/795274918.db2.gz XGGVVFVGJFLUPR-FVQBIDKESA-N 2 2 327.900 2.153 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC001079878122 795312027 /nfs/dbraw/zinc/31/20/27/795312027.db2.gz HJMXPYJSJMEQCU-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC001079878122 795312032 /nfs/dbraw/zinc/31/20/32/795312032.db2.gz HJMXPYJSJMEQCU-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP 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796335559 /nfs/dbraw/zinc/33/55/59/796335559.db2.gz VWEJGQPNCXMPHQ-NVXWUHKLSA-N 2 2 345.512 2.099 20 30 EEEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1 ZINC001081134212 796662955 /nfs/dbraw/zinc/66/29/55/796662955.db2.gz PGVAFHGBQAIUMQ-FXAWDEMLSA-N 2 2 344.418 2.394 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000993636375 796858867 /nfs/dbraw/zinc/85/88/67/796858867.db2.gz PHOAPDKTVLZDHI-LPHOPBHVSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000993636375 796858869 /nfs/dbraw/zinc/85/88/69/796858869.db2.gz PHOAPDKTVLZDHI-LPHOPBHVSA-N 2 2 336.439 2.478 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108039715 797146614 /nfs/dbraw/zinc/14/66/14/797146614.db2.gz FFWKSGFJOFESAU-LJQANCHMSA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001108039715 797146619 /nfs/dbraw/zinc/14/66/19/797146619.db2.gz FFWKSGFJOFESAU-LJQANCHMSA-N 2 2 342.443 2.040 20 30 EEEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001095031231 797253732 /nfs/dbraw/zinc/25/37/32/797253732.db2.gz ZTHPPCXTKHIPGL-IEZWGBDMSA-N 2 2 334.423 2.088 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000994141827 797357289 /nfs/dbraw/zinc/35/72/89/797357289.db2.gz ADWHJGYFSJOBDY-QFBILLFUSA-N 2 2 336.439 2.478 20 30 EEEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000915974968 797463933 /nfs/dbraw/zinc/46/39/33/797463933.db2.gz YFOPEZRPEVKYDT-UHFFFAOYSA-N 2 2 330.476 2.323 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994408730 797948468 /nfs/dbraw/zinc/94/84/68/797948468.db2.gz OXJNKFHRQRIDRT-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994408730 797948472 /nfs/dbraw/zinc/94/84/72/797948472.db2.gz OXJNKFHRQRIDRT-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001183773056 801729381 /nfs/dbraw/zinc/72/93/81/801729381.db2.gz NVGFBGGIEBEFSX-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004458048 802122528 /nfs/dbraw/zinc/12/25/28/802122528.db2.gz NTBJBSRBMXSVAY-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004458048 802122531 /nfs/dbraw/zinc/12/25/31/802122531.db2.gz NTBJBSRBMXSVAY-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004458048 802122535 /nfs/dbraw/zinc/12/25/35/802122535.db2.gz NTBJBSRBMXSVAY-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004458048 802122540 /nfs/dbraw/zinc/12/25/40/802122540.db2.gz NTBJBSRBMXSVAY-ZWKOTPCHSA-N 2 2 332.492 2.087 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609717 802477497 /nfs/dbraw/zinc/47/74/97/802477497.db2.gz JGDILNYJOVRTCI-SFHVURJKSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609717 802477500 /nfs/dbraw/zinc/47/75/00/802477500.db2.gz JGDILNYJOVRTCI-SFHVURJKSA-N 2 2 330.476 2.242 20 30 EEEDLP C[NH+]1CC(CNc2[nH+]cc3c(c2C#N)N(Cc2ccccc2)CC3)C1 ZINC001170252845 809865220 /nfs/dbraw/zinc/86/52/20/809865220.db2.gz DWZUHCZVUKUHDK-UHFFFAOYSA-N 2 2 333.439 2.489 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000329324315 539771607 /nfs/dbraw/zinc/77/16/07/539771607.db2.gz VMKADTQFQFBWLA-ZDUSSCGKSA-N 2 2 331.464 2.052 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)[C@@H]1CC ZINC001087606998 781929629 /nfs/dbraw/zinc/92/96/29/781929629.db2.gz FELPOJPMSUVDJJ-OTWHNJEPSA-N 2 2 333.520 2.489 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1CC ZINC001087606998 781929634 /nfs/dbraw/zinc/92/96/34/781929634.db2.gz FELPOJPMSUVDJJ-OTWHNJEPSA-N 2 2 333.520 2.489 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1CC ZINC001087606998 781929639 /nfs/dbraw/zinc/92/96/39/781929639.db2.gz FELPOJPMSUVDJJ-OTWHNJEPSA-N 2 2 333.520 2.489 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1CC ZINC001087606998 781929646 /nfs/dbraw/zinc/92/96/46/781929646.db2.gz FELPOJPMSUVDJJ-OTWHNJEPSA-N 2 2 333.520 2.489 20 30 EEEDLP C=CC[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092261552 218132001 /nfs/dbraw/zinc/13/20/01/218132001.db2.gz ZYWUGLOEKTXKLA-UHFFFAOYSA-N 2 2 337.471 2.417 20 30 EEEDLP C=CC[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092261552 218132004 /nfs/dbraw/zinc/13/20/04/218132004.db2.gz ZYWUGLOEKTXKLA-UHFFFAOYSA-N 2 2 337.471 2.417 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000267203691 256037520 /nfs/dbraw/zinc/03/75/20/256037520.db2.gz PCQVPTHBGMRVSN-UHFFFAOYSA-N 2 2 341.381 2.410 20 30 EEEDLP N#CCC[C@@H](C#N)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000578860576 468270174 /nfs/dbraw/zinc/27/01/74/468270174.db2.gz XPAPOFONJIEKIC-SFHVURJKSA-N 2 2 325.460 2.232 20 30 EEEDLP C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC000329326480 465299604 /nfs/dbraw/zinc/29/96/04/465299604.db2.gz WPUMGZZJJSJKDW-HOTGVXAUSA-N 2 2 345.491 2.239 20 30 EEEDLP C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC000329326480 465299610 /nfs/dbraw/zinc/29/96/10/465299610.db2.gz WPUMGZZJJSJKDW-HOTGVXAUSA-N 2 2 345.491 2.239 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156442402 463025409 /nfs/dbraw/zinc/02/54/09/463025409.db2.gz GSYCFOKTUMYPRZ-IKGGRYGDSA-N 2 2 343.475 2.497 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156442402 463025414 /nfs/dbraw/zinc/02/54/14/463025414.db2.gz GSYCFOKTUMYPRZ-IKGGRYGDSA-N 2 2 343.475 2.497 20 30 EEEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287001785 463768038 /nfs/dbraw/zinc/76/80/38/463768038.db2.gz FCIPOHIOJFLJEI-RHSMWYFYSA-N 2 2 336.480 2.016 20 30 EEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCc2ccccc2C1 ZINC000171603516 463890112 /nfs/dbraw/zinc/89/01/12/463890112.db2.gz WOZQUIZCIADCTN-UHFFFAOYSA-N 2 2 346.438 2.401 20 30 EEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278594987 463972393 /nfs/dbraw/zinc/97/23/93/463972393.db2.gz HHZLBMCEHGAODA-SFHVURJKSA-N 2 2 338.459 2.433 20 30 EEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278594987 463972400 /nfs/dbraw/zinc/97/24/00/463972400.db2.gz HHZLBMCEHGAODA-SFHVURJKSA-N 2 2 338.459 2.433 20 30 EEEDLP C=CCOc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177149996 464943429 /nfs/dbraw/zinc/94/34/29/464943429.db2.gz HTJCILIYHMDCPH-UHFFFAOYSA-N 2 2 331.460 2.007 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329609235 465386532 /nfs/dbraw/zinc/38/65/32/465386532.db2.gz NIKQKSKOGFIYGO-SOUVJXGZSA-N 2 2 345.491 2.424 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329609235 465386534 /nfs/dbraw/zinc/38/65/34/465386534.db2.gz NIKQKSKOGFIYGO-SOUVJXGZSA-N 2 2 345.491 2.424 20 30 EEEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000330243883 465582822 /nfs/dbraw/zinc/58/28/22/465582822.db2.gz CVGJVVFMYZGNPE-HNNXBMFYSA-N 2 2 331.464 2.062 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367018820 466075285 /nfs/dbraw/zinc/07/52/85/466075285.db2.gz CTORIJFZAMDNSG-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367018820 466075293 /nfs/dbraw/zinc/07/52/93/466075293.db2.gz CTORIJFZAMDNSG-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425245328 467090343 /nfs/dbraw/zinc/09/03/43/467090343.db2.gz IXBKDKRAKDMUJH-CQSZACIVSA-N 2 2 343.431 2.071 20 30 EEEDLP C[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425245328 467090345 /nfs/dbraw/zinc/09/03/45/467090345.db2.gz IXBKDKRAKDMUJH-CQSZACIVSA-N 2 2 343.431 2.071 20 30 EEEDLP N#CCCn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(-c2ccncc2)n1 ZINC000582762721 468589488 /nfs/dbraw/zinc/58/94/88/468589488.db2.gz JEIXUXKKIRJDHW-QGZVFWFLSA-N 2 2 347.426 2.160 20 30 EEEDLP N#CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1 ZINC000602695633 469017525 /nfs/dbraw/zinc/01/75/25/469017525.db2.gz BKXPAAZDWKZRJH-UHFFFAOYSA-N 2 2 329.444 2.181 20 30 EEEDLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)F ZINC000599023552 469092220 /nfs/dbraw/zinc/09/22/20/469092220.db2.gz SXHRLYNZGUBGPB-UHFFFAOYSA-N 2 2 336.430 2.309 20 30 EEEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489204 469479452 /nfs/dbraw/zinc/47/94/52/469479452.db2.gz NXHPTOQIODEMFH-FNHZYXHNSA-N 2 2 340.471 2.327 20 30 EEEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489204 469479457 /nfs/dbraw/zinc/47/94/57/469479457.db2.gz NXHPTOQIODEMFH-FNHZYXHNSA-N 2 2 340.471 2.327 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000746190371 577923772 /nfs/dbraw/zinc/92/37/72/577923772.db2.gz HXRSDYYWMCYXTK-HXUWFJFHSA-N 2 2 339.483 2.209 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000746190371 577923773 /nfs/dbraw/zinc/92/37/73/577923773.db2.gz HXRSDYYWMCYXTK-HXUWFJFHSA-N 2 2 339.483 2.209 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717282 676377467 /nfs/dbraw/zinc/37/74/67/676377467.db2.gz OQZQHKGMWRJJNS-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717282 676377468 /nfs/dbraw/zinc/37/74/68/676377468.db2.gz OQZQHKGMWRJJNS-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023555017 679375577 /nfs/dbraw/zinc/37/55/77/679375577.db2.gz TUYRVQQWHJOEDD-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023555017 679375579 /nfs/dbraw/zinc/37/55/79/679375579.db2.gz TUYRVQQWHJOEDD-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001023555017 679375581 /nfs/dbraw/zinc/37/55/81/679375581.db2.gz TUYRVQQWHJOEDD-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001023555017 679375582 /nfs/dbraw/zinc/37/55/82/679375582.db2.gz TUYRVQQWHJOEDD-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001026897193 685279669 /nfs/dbraw/zinc/27/96/69/685279669.db2.gz MXFVMRBRUWFNPJ-BMGDILEWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001026897193 685279672 /nfs/dbraw/zinc/27/96/72/685279672.db2.gz MXFVMRBRUWFNPJ-BMGDILEWSA-N 2 2 349.438 2.023 20 30 EEEDLP CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977596334 692794191 /nfs/dbraw/zinc/79/41/91/692794191.db2.gz SLPJHWYOYQWAMS-MRXNPFEDSA-N 2 2 346.500 2.042 20 30 EEEDLP CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977596334 692794194 /nfs/dbraw/zinc/79/41/94/692794194.db2.gz SLPJHWYOYQWAMS-MRXNPFEDSA-N 2 2 346.500 2.042 20 30 EEEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001480988604 1179435639 /nfs/dbraw/zinc/43/56/39/1179435639.db2.gz WYUBGPRUJVANBS-UHFFFAOYSA-N 2 2 333.823 2.072 20 30 EEEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001480988604 1179435643 /nfs/dbraw/zinc/43/56/43/1179435643.db2.gz WYUBGPRUJVANBS-UHFFFAOYSA-N 2 2 333.823 2.072 20 30 EEEDLP C=CC(NCCSCc1csc(C[NH+](C)C)n1)=[NH+]COC ZINC001168106608 1186756842 /nfs/dbraw/zinc/75/68/42/1186756842.db2.gz FYPOKXNRJODKKY-UHFFFAOYSA-N 2 2 328.507 2.216 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876437 1195414088 /nfs/dbraw/zinc/41/40/88/1195414088.db2.gz BMQHGTZZRGSCHH-FUHWJXTLSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876437 1195414090 /nfs/dbraw/zinc/41/40/90/1195414090.db2.gz BMQHGTZZRGSCHH-FUHWJXTLSA-N 2 2 330.476 2.335 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328330 1196096802 /nfs/dbraw/zinc/09/68/02/1196096802.db2.gz SNQBYZDBRQXYIB-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328330 1196096805 /nfs/dbraw/zinc/09/68/05/1196096805.db2.gz SNQBYZDBRQXYIB-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC001275034998 1205240821 /nfs/dbraw/zinc/24/08/21/1205240821.db2.gz UZTSOIFTXUIVCJ-UHFFFAOYSA-N 2 2 341.503 2.193 20 30 EEEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2nccs2)CC3)cc1C#N ZINC001276183866 1205822771 /nfs/dbraw/zinc/82/27/71/1205822771.db2.gz VEVXHHZESDVVOP-UHFFFAOYSA-N 2 2 341.484 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C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039251394 1230487653 /nfs/dbraw/zinc/48/76/53/1230487653.db2.gz UUKRHQUTWJDJEB-MJGOQNOKSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001039395441 1230578226 /nfs/dbraw/zinc/57/82/26/1230578226.db2.gz PUKBWBFNWBILRM-PMPSAXMXSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001039395441 1230578229 /nfs/dbraw/zinc/57/82/29/1230578229.db2.gz PUKBWBFNWBILRM-PMPSAXMXSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039395441 1230578233 /nfs/dbraw/zinc/57/82/33/1230578233.db2.gz PUKBWBFNWBILRM-PMPSAXMXSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039395441 1230578234 /nfs/dbraw/zinc/57/82/34/1230578234.db2.gz PUKBWBFNWBILRM-PMPSAXMXSA-N 2 2 325.884 2.289 20 30 EEEDLP 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CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980415 1234271343 /nfs/dbraw/zinc/27/13/43/1234271343.db2.gz YCDLFIZSCLLQKQ-FQEVSTJZSA-N 2 2 342.487 2.415 20 30 EEEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980415 1234271345 /nfs/dbraw/zinc/27/13/45/1234271345.db2.gz YCDLFIZSCLLQKQ-FQEVSTJZSA-N 2 2 342.487 2.415 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001046330653 1234675194 /nfs/dbraw/zinc/67/51/94/1234675194.db2.gz PEGPVEIFNSOFAC-IEBWSBKVSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001046330653 1234675197 /nfs/dbraw/zinc/67/51/97/1234675197.db2.gz PEGPVEIFNSOFAC-IEBWSBKVSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046330653 1234675200 /nfs/dbraw/zinc/67/52/00/1234675200.db2.gz PEGPVEIFNSOFAC-IEBWSBKVSA-N 2 2 345.491 2.337 20 30 EEEDLP 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C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998039317 791874288 /nfs/dbraw/zinc/87/42/88/791874288.db2.gz FJVMARDGTIHJKO-GVDBMIGSSA-N 2 2 328.460 2.240 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998039317 791874293 /nfs/dbraw/zinc/87/42/93/791874293.db2.gz FJVMARDGTIHJKO-GVDBMIGSSA-N 2 2 328.460 2.240 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998039317 791874297 /nfs/dbraw/zinc/87/42/97/791874297.db2.gz FJVMARDGTIHJKO-GVDBMIGSSA-N 2 2 328.460 2.240 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998039317 791874300 /nfs/dbraw/zinc/87/43/00/791874300.db2.gz FJVMARDGTIHJKO-GVDBMIGSSA-N 2 2 328.460 2.240 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992241166 793382524 /nfs/dbraw/zinc/38/25/24/793382524.db2.gz PCKNZHLPRDTXLM-FXRXJOCMSA-N 2 2 328.460 2.213 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992241166 793382534 /nfs/dbraw/zinc/38/25/34/793382534.db2.gz PCKNZHLPRDTXLM-FXRXJOCMSA-N 2 2 328.460 2.213 20 30 EEEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975798 806308132 /nfs/dbraw/zinc/30/81/32/806308132.db2.gz FDMJCKNRNSFWQQ-NJAFHUGGSA-N 2 2 330.476 2.431 20 30 EEEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975798 806308138 /nfs/dbraw/zinc/30/81/38/806308138.db2.gz FDMJCKNRNSFWQQ-NJAFHUGGSA-N 2 2 330.476 2.431 20 30 EEEDLP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093382248 795122771 /nfs/dbraw/zinc/12/27/71/795122771.db2.gz ZXHRJRAJLNSNKK-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093382248 795122775 /nfs/dbraw/zinc/12/27/75/795122775.db2.gz ZXHRJRAJLNSNKK-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342895 795423811 /nfs/dbraw/zinc/42/38/11/795423811.db2.gz HXBLIEJUIRAJSS-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342895 795423812 /nfs/dbraw/zinc/42/38/12/795423812.db2.gz HXBLIEJUIRAJSS-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001000205574 795506632 /nfs/dbraw/zinc/50/66/32/795506632.db2.gz WNFDUDBBBNXFMO-MRXNPFEDSA-N 2 2 342.487 2.382 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605486 796657320 /nfs/dbraw/zinc/65/73/20/796657320.db2.gz OTAIDOYKLGWWAV-GDBMZVCRSA-N 2 2 330.476 2.111 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605486 796657324 /nfs/dbraw/zinc/65/73/24/796657324.db2.gz OTAIDOYKLGWWAV-GDBMZVCRSA-N 2 2 330.476 2.111 20 30 EEEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001078688533 796868819 /nfs/dbraw/zinc/86/88/19/796868819.db2.gz RIMXOLIUFRDVNB-ZWKOTPCHSA-N 2 2 334.423 2.136 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C12CCC2 ZINC001078780272 797000783 /nfs/dbraw/zinc/00/07/83/797000783.db2.gz JPRQKFDGTUGSLW-SJORKVTESA-N 2 2 337.427 2.084 20 30 EEEDLP C[C@@H](CCCC#N)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001172498549 797009131 /nfs/dbraw/zinc/00/91/31/797009131.db2.gz MHZJXXOYSCCKKP-INIZCTEOSA-N 2 2 330.480 2.204 20 30 EEEDLP C[C@@H](CCCC#N)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001172498549 797009137 /nfs/dbraw/zinc/00/91/37/797009137.db2.gz MHZJXXOYSCCKKP-INIZCTEOSA-N 2 2 330.480 2.204 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994206451 797387561 /nfs/dbraw/zinc/38/75/61/797387561.db2.gz CLEZCDFNAQYWIM-GOEBONIOSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994206451 797387569 /nfs/dbraw/zinc/38/75/69/797387569.db2.gz CLEZCDFNAQYWIM-GOEBONIOSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881057 798260262 /nfs/dbraw/zinc/26/02/62/798260262.db2.gz IRNGPMVTQIDJGG-GFCCVEGCSA-N 2 2 343.269 2.125 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085602604 800875581 /nfs/dbraw/zinc/87/55/81/800875581.db2.gz GLCSQQPYQBLNAA-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085602604 800875590 /nfs/dbraw/zinc/87/55/90/800875590.db2.gz GLCSQQPYQBLNAA-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001085783110 801255478 /nfs/dbraw/zinc/25/54/78/801255478.db2.gz NBASZTONQYXKBP-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001085783110 801255484 /nfs/dbraw/zinc/25/54/84/801255484.db2.gz NBASZTONQYXKBP-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001085783110 801255491 /nfs/dbraw/zinc/25/54/91/801255491.db2.gz NBASZTONQYXKBP-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001085783110 801255496 /nfs/dbraw/zinc/25/54/96/801255496.db2.gz NBASZTONQYXKBP-MOPGFXCFSA-N 2 2 349.519 2.129 20 30 EEEDLP C[NH+](C)C1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830002 801760635 /nfs/dbraw/zinc/76/06/35/801760635.db2.gz AWSIEQIGVAFSTI-GOSISDBHSA-N 2 2 340.471 2.075 20 30 EEEDLP C[NH+](C)C1(C)CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830002 801760642 /nfs/dbraw/zinc/76/06/42/801760642.db2.gz AWSIEQIGVAFSTI-GOSISDBHSA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001184435541 802032825 /nfs/dbraw/zinc/03/28/25/802032825.db2.gz DFSKWMZLJOVCCH-DLBZAZTESA-N 2 2 344.503 2.412 20 30 EEEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651364 802116452 /nfs/dbraw/zinc/11/64/52/802116452.db2.gz DNFNGCKKNHYPGL-NVXWUHKLSA-N 2 2 330.476 2.024 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470928 802158486 /nfs/dbraw/zinc/15/84/86/802158486.db2.gz WHUUPWJLSUFUGN-HKUYNNGSSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470928 802158491 /nfs/dbraw/zinc/15/84/91/802158491.db2.gz WHUUPWJLSUFUGN-HKUYNNGSSA-N 2 2 342.487 2.335 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC/C=C/CC ZINC001109414825 805436300 /nfs/dbraw/zinc/43/63/00/805436300.db2.gz NGPBWZRNPSVEJV-RQYFEWIXSA-N 2 2 329.488 2.162 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001109414825 805436304 /nfs/dbraw/zinc/43/63/04/805436304.db2.gz NGPBWZRNPSVEJV-RQYFEWIXSA-N 2 2 329.488 2.162 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C/CC ZINC001109414825 805436309 /nfs/dbraw/zinc/43/63/09/805436309.db2.gz NGPBWZRNPSVEJV-RQYFEWIXSA-N 2 2 329.488 2.162 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C/CC ZINC001109414825 805436316 /nfs/dbraw/zinc/43/63/16/805436316.db2.gz NGPBWZRNPSVEJV-RQYFEWIXSA-N 2 2 329.488 2.162 20 30 EEEDLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329277886 539770457 /nfs/dbraw/zinc/77/04/57/539770457.db2.gz CQVGFFCSPSQKFE-MRXNPFEDSA-N 2 2 343.475 2.312 20 30 EEEDLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329277886 539770460 /nfs/dbraw/zinc/77/04/60/539770460.db2.gz CQVGFFCSPSQKFE-MRXNPFEDSA-N 2 2 343.475 2.312 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000369265919 166224429 /nfs/dbraw/zinc/22/44/29/166224429.db2.gz JHJPREDTVDRQNP-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000369265919 166224431 /nfs/dbraw/zinc/22/44/31/166224431.db2.gz JHJPREDTVDRQNP-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000272555479 267091711 /nfs/dbraw/zinc/09/17/11/267091711.db2.gz MRDJBEZPYJCVNP-KYJSFNMBSA-N 2 2 326.444 2.126 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000272555479 267091712 /nfs/dbraw/zinc/09/17/12/267091712.db2.gz MRDJBEZPYJCVNP-KYJSFNMBSA-N 2 2 326.444 2.126 20 30 EEEDLP CCC[C@@]1(C)CCCN(C(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)C1 ZINC000261934622 276035886 /nfs/dbraw/zinc/03/58/86/276035886.db2.gz LXSOBGJONUAIPS-SFHVURJKSA-N 2 2 334.512 2.464 20 30 EEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245445468 276106738 /nfs/dbraw/zinc/10/67/38/276106738.db2.gz KKGLLXZHYAMPSW-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245445468 276106740 /nfs/dbraw/zinc/10/67/40/276106740.db2.gz KKGLLXZHYAMPSW-HKUYNNGSSA-N 2 2 340.471 2.327 20 30 EEEDLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1F ZINC000581602834 324287036 /nfs/dbraw/zinc/28/70/36/324287036.db2.gz UMRKDLBPERDAQX-LLVKDONJSA-N 2 2 328.395 2.133 20 30 EEEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329276520 465286673 /nfs/dbraw/zinc/28/66/73/465286673.db2.gz LFQMVEMXWBSCDX-NVXWUHKLSA-N 2 2 333.480 2.302 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000491126316 468306034 /nfs/dbraw/zinc/30/60/34/468306034.db2.gz MZFTWYAYIMQIOZ-IYARVYRRSA-N 2 2 340.471 2.266 20 30 EEEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080972909 463377419 /nfs/dbraw/zinc/37/74/19/463377419.db2.gz FBWWBJHEZPDJQI-CYBMUJFWSA-N 2 2 327.388 2.309 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080972909 463377426 /nfs/dbraw/zinc/37/74/26/463377426.db2.gz FBWWBJHEZPDJQI-CYBMUJFWSA-N 2 2 327.388 2.309 20 30 EEEDLP N#CCCN(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161294300 463416927 /nfs/dbraw/zinc/41/69/27/463416927.db2.gz FYXPOBLXNSKTHA-UHFFFAOYSA-N 2 2 349.438 2.150 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000104717815 463419970 /nfs/dbraw/zinc/41/99/70/463419970.db2.gz AIKSPBYKFXMJFJ-UHFFFAOYSA-N 2 2 326.375 2.423 20 30 EEEDLP C#CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000270149351 464200559 /nfs/dbraw/zinc/20/05/59/464200559.db2.gz CNFCFDFMQZHJNA-LJQANCHMSA-N 2 2 335.455 2.083 20 30 EEEDLP Cc1nccnc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292880210 464373894 /nfs/dbraw/zinc/37/38/94/464373894.db2.gz CBADPCMXVWQEHW-UHFFFAOYSA-N 2 2 335.455 2.453 20 30 EEEDLP [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329732062 465419555 /nfs/dbraw/zinc/41/95/55/465419555.db2.gz INYDWDBIDFVYJF-AWEZNQCLSA-N 2 2 331.464 2.131 20 30 EEEDLP [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329732062 465419561 /nfs/dbraw/zinc/41/95/61/465419561.db2.gz INYDWDBIDFVYJF-AWEZNQCLSA-N 2 2 331.464 2.131 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275176 465525675 /nfs/dbraw/zinc/52/56/75/465525675.db2.gz IGRHDEMJOWATGO-HHXXYDBFSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275176 465525680 /nfs/dbraw/zinc/52/56/80/465525680.db2.gz IGRHDEMJOWATGO-HHXXYDBFSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348275176 465525688 /nfs/dbraw/zinc/52/56/88/465525688.db2.gz IGRHDEMJOWATGO-HHXXYDBFSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275176 465525696 /nfs/dbraw/zinc/52/56/96/465525696.db2.gz IGRHDEMJOWATGO-HHXXYDBFSA-N 2 2 334.508 2.093 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nccc(C)c3C#N)CC2)CC1 ZINC000420629473 467437403 /nfs/dbraw/zinc/43/74/03/467437403.db2.gz QUYMAECZSDHOHC-UHFFFAOYSA-N 2 2 327.476 2.258 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nccc(C)c3C#N)CC2)CC1 ZINC000420629473 467437405 /nfs/dbraw/zinc/43/74/05/467437405.db2.gz QUYMAECZSDHOHC-UHFFFAOYSA-N 2 2 327.476 2.258 20 30 EEEDLP COC1CC[NH+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000586790575 469068003 /nfs/dbraw/zinc/06/80/03/469068003.db2.gz BQIYTEHBMJJKNE-UHFFFAOYSA-N 2 2 342.487 2.227 20 30 EEEDLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000610830430 469082951 /nfs/dbraw/zinc/08/29/51/469082951.db2.gz SIGKNIGBPOGYHV-KRWDZBQOSA-N 2 2 342.487 2.005 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000610830430 469082959 /nfs/dbraw/zinc/08/29/59/469082959.db2.gz SIGKNIGBPOGYHV-KRWDZBQOSA-N 2 2 342.487 2.005 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000563018672 469137924 /nfs/dbraw/zinc/13/79/24/469137924.db2.gz PKBUTWCQQHIWRU-UHFFFAOYSA-N 2 2 339.487 2.412 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644548907 470979880 /nfs/dbraw/zinc/97/98/80/470979880.db2.gz DUHXYNXNEAMMBD-HXUWFJFHSA-N 3 2 331.504 2.109 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644548907 470979885 /nfs/dbraw/zinc/97/98/85/470979885.db2.gz DUHXYNXNEAMMBD-HXUWFJFHSA-N 3 2 331.504 2.109 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177952434 526593018 /nfs/dbraw/zinc/59/30/18/526593018.db2.gz CEKROSSTCPHYPI-UHFFFAOYSA-N 2 2 327.432 2.174 20 30 EEEDLP Cc1cnc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000771653230 577224254 /nfs/dbraw/zinc/22/42/54/577224254.db2.gz YRCCBTKKFSOTJA-UHFFFAOYSA-N 2 2 346.456 2.121 20 30 EEEDLP COc1cccc(S(C)(=O)=O)c1N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000767393757 577536073 /nfs/dbraw/zinc/53/60/73/577536073.db2.gz JRKZWEYUUGJWHH-UHFFFAOYSA-N 2 2 348.428 2.006 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319245 675787962 /nfs/dbraw/zinc/78/79/62/675787962.db2.gz SEACAOGCMVBXCJ-HUUCEWRRSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319245 675787964 /nfs/dbraw/zinc/78/79/64/675787964.db2.gz SEACAOGCMVBXCJ-HUUCEWRRSA-N 2 2 327.900 2.297 20 30 EEEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024740411 681401749 /nfs/dbraw/zinc/40/17/49/681401749.db2.gz SZDMKBIZRXAMLH-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001024740411 681401753 /nfs/dbraw/zinc/40/17/53/681401753.db2.gz SZDMKBIZRXAMLH-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025587071 683053805 /nfs/dbraw/zinc/05/38/05/683053805.db2.gz IPICVPBSYNLWIP-HOTGVXAUSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025587071 683053811 /nfs/dbraw/zinc/05/38/11/683053811.db2.gz IPICVPBSYNLWIP-HOTGVXAUSA-N 2 2 339.443 2.284 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)cccc1C ZINC001038367718 684516019 /nfs/dbraw/zinc/51/60/19/684516019.db2.gz MVPROVUMRFQYBL-ICSRJNTNSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1c(C)cccc1C ZINC001038367718 684516024 /nfs/dbraw/zinc/51/60/24/684516024.db2.gz MVPROVUMRFQYBL-ICSRJNTNSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1c(C)cccc1C ZINC001038367718 684516025 /nfs/dbraw/zinc/51/60/25/684516025.db2.gz MVPROVUMRFQYBL-ICSRJNTNSA-N 2 2 339.483 2.092 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978926170 694014670 /nfs/dbraw/zinc/01/46/70/694014670.db2.gz FIENKJWEKVGOMG-LDLYASANSA-N 2 2 336.439 2.356 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978926170 694014676 /nfs/dbraw/zinc/01/46/76/694014676.db2.gz FIENKJWEKVGOMG-LDLYASANSA-N 2 2 336.439 2.356 20 30 EEEDLP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000985803405 687727662 /nfs/dbraw/zinc/72/76/62/687727662.db2.gz GJLBCIAYIKJFOC-UHFFFAOYSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000985803405 687727666 /nfs/dbraw/zinc/72/76/66/687727666.db2.gz GJLBCIAYIKJFOC-UHFFFAOYSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[NH+](C)C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000985803405 687727671 /nfs/dbraw/zinc/72/76/71/687727671.db2.gz GJLBCIAYIKJFOC-UHFFFAOYSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[NH+](C)C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000985803405 687727676 /nfs/dbraw/zinc/72/76/76/687727676.db2.gz GJLBCIAYIKJFOC-UHFFFAOYSA-N 2 2 333.501 2.215 20 30 EEEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986348845 688521867 /nfs/dbraw/zinc/52/18/67/688521867.db2.gz BNGHWYHUDPRFAV-LRDDRELGSA-N 2 2 343.456 2.055 20 30 EEEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986348845 688521868 /nfs/dbraw/zinc/52/18/68/688521868.db2.gz BNGHWYHUDPRFAV-LRDDRELGSA-N 2 2 343.456 2.055 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000987309605 689592429 /nfs/dbraw/zinc/59/24/29/689592429.db2.gz JHYPNHBHNNDPEV-DZGCQCFKSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167628 1192924016 /nfs/dbraw/zinc/92/40/16/1192924016.db2.gz FQRULQORQZCDIJ-DOMZBBRYSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167628 1192924018 /nfs/dbraw/zinc/92/40/18/1192924018.db2.gz FQRULQORQZCDIJ-DOMZBBRYSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001088352016 1186647035 /nfs/dbraw/zinc/64/70/35/1186647035.db2.gz QOYSTUZAASGJRP-OAHLLOKOSA-N 2 2 338.883 2.466 20 30 EEEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001105522318 1188146411 /nfs/dbraw/zinc/14/64/11/1188146411.db2.gz GTELHGURCIQNDA-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001105522318 1188146414 /nfs/dbraw/zinc/14/64/14/1188146414.db2.gz GTELHGURCIQNDA-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551585 1188167353 /nfs/dbraw/zinc/16/73/53/1188167353.db2.gz HGEQLMBVJRJIAM-SFHVURJKSA-N 2 2 342.487 2.438 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001108157200 1196717876 /nfs/dbraw/zinc/71/78/76/1196717876.db2.gz QUKFGLILNNBRQK-ICSRJNTNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001108157200 1196717879 /nfs/dbraw/zinc/71/78/79/1196717879.db2.gz QUKFGLILNNBRQK-ICSRJNTNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001108157200 1196717881 /nfs/dbraw/zinc/71/78/81/1196717881.db2.gz QUKFGLILNNBRQK-ICSRJNTNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001108157200 1196717886 /nfs/dbraw/zinc/71/78/86/1196717886.db2.gz QUKFGLILNNBRQK-ICSRJNTNSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001018168246 1224420125 /nfs/dbraw/zinc/42/01/25/1224420125.db2.gz RTQJSAOAYYBSBL-NSHGMRRFSA-N 2 2 327.472 2.325 20 30 EEEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001018168246 1224420128 /nfs/dbraw/zinc/42/01/28/1224420128.db2.gz RTQJSAOAYYBSBL-NSHGMRRFSA-N 2 2 327.472 2.325 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001275680572 1205482466 /nfs/dbraw/zinc/48/24/66/1205482466.db2.gz UCSOWCMJSJCCFO-RTBURBONSA-N 2 2 349.438 2.020 20 30 EEEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001275680572 1205482467 /nfs/dbraw/zinc/48/24/67/1205482467.db2.gz UCSOWCMJSJCCFO-RTBURBONSA-N 2 2 349.438 2.020 20 30 EEEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)c1cc3c[nH+]ccc3[nH]1)CCO2 ZINC000949123607 1209544285 /nfs/dbraw/zinc/54/42/85/1209544285.db2.gz GAPMLKKEZHWVHH-UHFFFAOYSA-N 2 2 340.427 2.056 20 30 EEEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000960308233 1216484768 /nfs/dbraw/zinc/48/47/68/1216484768.db2.gz RGDCKXZFOTXRMF-CGTJXYLNSA-N 2 2 336.439 2.387 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961264952 1217117682 /nfs/dbraw/zinc/11/76/82/1217117682.db2.gz XKCCCEXAELPDOG-IAGOWNOFSA-N 2 2 342.487 2.271 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961264952 1217117684 /nfs/dbraw/zinc/11/76/84/1217117684.db2.gz XKCCCEXAELPDOG-IAGOWNOFSA-N 2 2 342.487 2.271 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001413048003 1217384103 /nfs/dbraw/zinc/38/41/03/1217384103.db2.gz SJNOAYBCCFCWBK-GOSISDBHSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001413048003 1217384108 /nfs/dbraw/zinc/38/41/08/1217384108.db2.gz SJNOAYBCCFCWBK-GOSISDBHSA-N 2 2 334.508 2.335 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385345 1217582947 /nfs/dbraw/zinc/58/29/47/1217582947.db2.gz LFYSEWVPFPOWSK-SJLPKXTDSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385345 1217582951 /nfs/dbraw/zinc/58/29/51/1217582951.db2.gz LFYSEWVPFPOWSK-SJLPKXTDSA-N 2 2 330.476 2.242 20 30 EEEDLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001008533591 1222911921 /nfs/dbraw/zinc/91/19/21/1222911921.db2.gz SUSIGMLZVRPJBZ-AZUAARDMSA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001008533591 1222911925 /nfs/dbraw/zinc/91/19/25/1222911925.db2.gz SUSIGMLZVRPJBZ-AZUAARDMSA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 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2.354 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702052 798391154 /nfs/dbraw/zinc/39/11/54/798391154.db2.gz FALCHERSQYRQQH-HZPDHXFCSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702052 798391160 /nfs/dbraw/zinc/39/11/60/798391160.db2.gz FALCHERSQYRQQH-HZPDHXFCSA-N 2 2 325.884 2.004 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001180469653 800443569 /nfs/dbraw/zinc/44/35/69/800443569.db2.gz BXBUPKKIFISPPQ-UHFFFAOYSA-N 2 2 345.472 2.283 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001181951833 800973312 /nfs/dbraw/zinc/97/33/12/800973312.db2.gz KTQSVKYEFYUZKS-GPMSIDNRSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001183773937 801730168 /nfs/dbraw/zinc/73/01/68/801730168.db2.gz VFUMETYAXALAAC-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004428407 802031800 /nfs/dbraw/zinc/03/18/00/802031800.db2.gz YEUWPYQUXJYJAT-QGZVFWFLSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004428407 802031807 /nfs/dbraw/zinc/03/18/07/802031807.db2.gz YEUWPYQUXJYJAT-QGZVFWFLSA-N 2 2 328.460 2.069 20 30 EEEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529212 802324007 /nfs/dbraw/zinc/32/40/07/802324007.db2.gz RCIJMZOYIONMFK-OALUTQOASA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529212 802324017 /nfs/dbraw/zinc/32/40/17/802324017.db2.gz RCIJMZOYIONMFK-OALUTQOASA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004529212 802324025 /nfs/dbraw/zinc/32/40/25/802324025.db2.gz RCIJMZOYIONMFK-OALUTQOASA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004529212 802324035 /nfs/dbraw/zinc/32/40/35/802324035.db2.gz RCIJMZOYIONMFK-OALUTQOASA-N 2 2 346.519 2.335 20 30 EEEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433210 805457318 /nfs/dbraw/zinc/45/73/18/805457318.db2.gz DGKLXGOCOBBBFY-VSZNYVQBSA-N 2 2 328.460 2.215 20 30 EEEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433210 805457324 /nfs/dbraw/zinc/45/73/24/805457324.db2.gz DGKLXGOCOBBBFY-VSZNYVQBSA-N 2 2 328.460 2.215 20 30 EEEDLP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001446111741 1092145619 /nfs/dbraw/zinc/14/56/19/1092145619.db2.gz WZMOPBCZRUKDNF-CQSZACIVSA-N 2 2 334.489 2.042 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001446111741 1092145626 /nfs/dbraw/zinc/14/56/26/1092145626.db2.gz WZMOPBCZRUKDNF-CQSZACIVSA-N 2 2 334.489 2.042 20 30 EEEDLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001446111741 1092145631 /nfs/dbraw/zinc/14/56/31/1092145631.db2.gz WZMOPBCZRUKDNF-CQSZACIVSA-N 2 2 334.489 2.042 20 30 EEEDLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001446111741 1092145635 /nfs/dbraw/zinc/14/56/35/1092145635.db2.gz WZMOPBCZRUKDNF-CQSZACIVSA-N 2 2 334.489 2.042 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520305728 1119144654 /nfs/dbraw/zinc/14/46/54/1119144654.db2.gz SCZKEGVYIQMCMG-INIZCTEOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001520305728 1119144655 /nfs/dbraw/zinc/14/46/55/1119144655.db2.gz SCZKEGVYIQMCMG-INIZCTEOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OC ZINC000057958758 214467133 /nfs/dbraw/zinc/46/71/33/214467133.db2.gz XXSXXDXIILJHIW-UHFFFAOYSA-N 2 2 334.460 2.462 20 30 EEEDLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328745012 539759848 /nfs/dbraw/zinc/75/98/48/539759848.db2.gz PDIAFLZOLJTTTD-IAGOWNOFSA-N 2 2 343.475 2.135 20 30 EEEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478085 237176631 /nfs/dbraw/zinc/17/66/31/237176631.db2.gz XVTYXZDMOAIPOD-VZDIDWBNSA-N 2 2 334.508 2.189 20 30 EEEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478085 237176638 /nfs/dbraw/zinc/17/66/38/237176638.db2.gz XVTYXZDMOAIPOD-VZDIDWBNSA-N 2 2 334.508 2.189 20 30 EEEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000356086179 163328685 /nfs/dbraw/zinc/32/86/85/163328685.db2.gz MUIMMQUMWQRLFH-OKILXGFUSA-N 2 2 334.489 2.336 20 30 EEEDLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000356086179 163328687 /nfs/dbraw/zinc/32/86/87/163328687.db2.gz MUIMMQUMWQRLFH-OKILXGFUSA-N 2 2 334.489 2.336 20 30 EEEDLP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000292183953 268185255 /nfs/dbraw/zinc/18/52/55/268185255.db2.gz MPUNTRLIEOLCFT-KRWDZBQOSA-N 2 2 346.394 2.187 20 30 EEEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000292183953 268185258 /nfs/dbraw/zinc/18/52/58/268185258.db2.gz MPUNTRLIEOLCFT-KRWDZBQOSA-N 2 2 346.394 2.187 20 30 EEEDLP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590657519 468296341 /nfs/dbraw/zinc/29/63/41/468296341.db2.gz IZLDIBHBRZGKLS-MOPGFXCFSA-N 2 2 341.455 2.454 20 30 EEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000075834993 462763167 /nfs/dbraw/zinc/76/31/67/462763167.db2.gz DVHNASDRWNEISH-KRWDZBQOSA-N 2 2 332.492 2.137 20 30 EEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000075834993 462763170 /nfs/dbraw/zinc/76/31/70/462763170.db2.gz DVHNASDRWNEISH-KRWDZBQOSA-N 2 2 332.492 2.137 20 30 EEEDLP C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000120752639 463034498 /nfs/dbraw/zinc/03/44/98/463034498.db2.gz PGWXXVIYUIDLAP-SFHVURJKSA-N 2 2 342.487 2.455 20 30 EEEDLP CCc1nnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)o1 ZINC000136642016 463250082 /nfs/dbraw/zinc/25/00/82/463250082.db2.gz FCEZDMMTOLLLBR-UHFFFAOYSA-N 2 2 343.431 2.455 20 30 EEEDLP CC[NH+]=C(NCCc1nccs1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160082403 463318260 /nfs/dbraw/zinc/31/82/60/463318260.db2.gz ICTLLFPKDNBVOV-CABCVRRESA-N 2 2 346.504 2.431 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278893935 464006814 /nfs/dbraw/zinc/00/68/14/464006814.db2.gz QDJDVJWWNLKZHE-UHFFFAOYSA-N 2 2 335.404 2.439 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000270248894 464232702 /nfs/dbraw/zinc/23/27/02/464232702.db2.gz FBTVPWNLDRNNMB-UHFFFAOYSA-N 2 2 340.471 2.041 20 30 EEEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005970 464380910 /nfs/dbraw/zinc/38/09/10/464380910.db2.gz PFXRQTLWBMHAJO-FQEVSTJZSA-N 2 2 340.471 2.351 20 30 EEEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005970 464380918 /nfs/dbraw/zinc/38/09/18/464380918.db2.gz PFXRQTLWBMHAJO-FQEVSTJZSA-N 2 2 340.471 2.351 20 30 EEEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005970 464380922 /nfs/dbraw/zinc/38/09/22/464380922.db2.gz PFXRQTLWBMHAJO-FQEVSTJZSA-N 2 2 340.471 2.351 20 30 EEEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000293005970 464380929 /nfs/dbraw/zinc/38/09/29/464380929.db2.gz PFXRQTLWBMHAJO-FQEVSTJZSA-N 2 2 340.471 2.351 20 30 EEEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000271824812 464392258 /nfs/dbraw/zinc/39/22/58/464392258.db2.gz PTEWBTRQGKFOES-UHFFFAOYSA-N 2 2 344.455 2.206 20 30 EEEDLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000281453733 464459561 /nfs/dbraw/zinc/45/95/61/464459561.db2.gz UVIJRKISYOAKAR-SFHVURJKSA-N 2 2 326.444 2.081 20 30 EEEDLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000281453733 464459566 /nfs/dbraw/zinc/45/95/66/464459566.db2.gz UVIJRKISYOAKAR-SFHVURJKSA-N 2 2 326.444 2.081 20 30 EEEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246452774 464586921 /nfs/dbraw/zinc/58/69/21/464586921.db2.gz XVTYXZDMOAIPOD-ISXWCOSWSA-N 2 2 334.508 2.189 20 30 EEEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246452774 464586926 /nfs/dbraw/zinc/58/69/26/464586926.db2.gz XVTYXZDMOAIPOD-ISXWCOSWSA-N 2 2 334.508 2.189 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250288400 464928919 /nfs/dbraw/zinc/92/89/19/464928919.db2.gz OBJJESBZFPFFIC-MSOLQXFVSA-N 2 2 334.508 2.191 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250288400 464928924 /nfs/dbraw/zinc/92/89/24/464928924.db2.gz OBJJESBZFPFFIC-MSOLQXFVSA-N 2 2 334.508 2.191 20 30 EEEDLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329488248 465350328 /nfs/dbraw/zinc/35/03/28/465350328.db2.gz YBNFGMIPVDPHQD-QAPCUYQASA-N 2 2 339.443 2.455 20 30 EEEDLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329488248 465350334 /nfs/dbraw/zinc/35/03/34/465350334.db2.gz YBNFGMIPVDPHQD-QAPCUYQASA-N 2 2 339.443 2.455 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072918 465744963 /nfs/dbraw/zinc/74/49/63/465744963.db2.gz HVGMARPZWKPNLR-MRXNPFEDSA-N 2 2 331.464 2.136 20 30 EEEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357105 466365521 /nfs/dbraw/zinc/36/55/21/466365521.db2.gz WXTAGTFVGZOJMV-FQEVSTJZSA-N 2 2 327.472 2.277 20 30 EEEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357105 466365526 /nfs/dbraw/zinc/36/55/26/466365526.db2.gz WXTAGTFVGZOJMV-FQEVSTJZSA-N 2 2 327.472 2.277 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363357105 466365530 /nfs/dbraw/zinc/36/55/30/466365530.db2.gz WXTAGTFVGZOJMV-FQEVSTJZSA-N 2 2 327.472 2.277 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363357105 466365535 /nfs/dbraw/zinc/36/55/35/466365535.db2.gz WXTAGTFVGZOJMV-FQEVSTJZSA-N 2 2 327.472 2.277 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000369344896 466726416 /nfs/dbraw/zinc/72/64/16/466726416.db2.gz QGCOTNNNJRIDEA-MRXNPFEDSA-N 2 2 345.491 2.350 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000375534627 466846904 /nfs/dbraw/zinc/84/69/04/466846904.db2.gz VINLVOSWZGXPLO-SJLPKXTDSA-N 2 2 342.487 2.311 20 30 EEEDLP Cc1csc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C#N ZINC000519602986 468181084 /nfs/dbraw/zinc/18/10/84/468181084.db2.gz HDBIHMNXHQRBAM-UHFFFAOYSA-N 2 2 335.477 2.076 20 30 EEEDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)CCO1 ZINC000562987257 469125166 /nfs/dbraw/zinc/12/51/66/469125166.db2.gz WXVBCYOMTWWXBT-QFBILLFUSA-N 2 2 326.444 2.440 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)CCO1 ZINC000562987257 469125174 /nfs/dbraw/zinc/12/51/74/469125174.db2.gz WXVBCYOMTWWXBT-QFBILLFUSA-N 2 2 326.444 2.440 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988875 469131691 /nfs/dbraw/zinc/13/16/91/469131691.db2.gz SKFBSZYGXQSXCC-DLBZAZTESA-N 2 2 340.427 2.095 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988875 469131696 /nfs/dbraw/zinc/13/16/96/469131696.db2.gz SKFBSZYGXQSXCC-DLBZAZTESA-N 2 2 340.427 2.095 20 30 EEEDLP CC[N@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1)C(C)C ZINC000563220311 469203565 /nfs/dbraw/zinc/20/35/65/469203565.db2.gz KQILCTDKSAZBQK-IBGZPJMESA-N 2 2 330.476 2.491 20 30 EEEDLP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1)C(C)C ZINC000563220311 469203567 /nfs/dbraw/zinc/20/35/67/469203567.db2.gz KQILCTDKSAZBQK-IBGZPJMESA-N 2 2 330.476 2.491 20 30 EEEDLP CC#CC[NH2+]Cc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179964 471237319 /nfs/dbraw/zinc/23/73/19/471237319.db2.gz YKCOKNMJKGXSPM-UHFFFAOYSA-N 2 2 337.471 2.425 20 30 EEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717176 526535069 /nfs/dbraw/zinc/53/50/69/526535069.db2.gz SHQRGGCPXFXROK-MRXNPFEDSA-N 2 2 346.475 2.025 20 30 EEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717180 526541382 /nfs/dbraw/zinc/54/13/82/526541382.db2.gz SHQRGGCPXFXROK-INIZCTEOSA-N 2 2 346.475 2.025 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411164381 527649090 /nfs/dbraw/zinc/64/90/90/527649090.db2.gz MECLZLSNICCNJK-MJGOQNOKSA-N 2 2 327.472 2.440 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411164381 527649095 /nfs/dbraw/zinc/64/90/95/527649095.db2.gz MECLZLSNICCNJK-MJGOQNOKSA-N 2 2 327.472 2.440 20 30 EEEDLP Cc1nc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000725793038 576028589 /nfs/dbraw/zinc/02/85/89/576028589.db2.gz TVIOXRWGDGZWSL-UHFFFAOYSA-N 2 2 346.456 2.121 20 30 EEEDLP C#Cc1cccc(NC(=S)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732719868 577189859 /nfs/dbraw/zinc/18/98/59/577189859.db2.gz CUNFHYLMGPSLOO-KRWDZBQOSA-N 2 2 342.512 2.123 20 30 EEEDLP C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732719868 577189860 /nfs/dbraw/zinc/18/98/60/577189860.db2.gz CUNFHYLMGPSLOO-KRWDZBQOSA-N 2 2 342.512 2.123 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC(C)C)c2ccccc2C)CC1 ZINC000775406930 577436725 /nfs/dbraw/zinc/43/67/25/577436725.db2.gz ADPLPVXQXNOESD-HXUWFJFHSA-N 2 2 341.499 2.449 20 30 EEEDLP CC(=[NH+]NC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cccc(N2CCOCC2)c1 ZINC000753936423 577796789 /nfs/dbraw/zinc/79/67/89/577796789.db2.gz SJHDIMSODOTBCX-HDICACEKSA-N 2 2 341.459 2.107 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000748815192 577967264 /nfs/dbraw/zinc/96/72/64/577967264.db2.gz KXWPQOCTKQHKJL-QGZVFWFLSA-N 2 2 333.863 2.158 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000748814528 577967272 /nfs/dbraw/zinc/96/72/72/577967272.db2.gz AGUFSUTXMOZWIF-LJQANCHMSA-N 2 2 347.890 2.404 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600837 679405719 /nfs/dbraw/zinc/40/57/19/679405719.db2.gz LBYGNELRPSFHAL-RBSFLKMASA-N 2 2 336.867 2.104 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600837 679405722 /nfs/dbraw/zinc/40/57/22/679405722.db2.gz LBYGNELRPSFHAL-RBSFLKMASA-N 2 2 336.867 2.104 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681281 679473213 /nfs/dbraw/zinc/47/32/13/679473213.db2.gz JHOPMULCCYCTKA-KRWDZBQOSA-N 2 2 336.439 2.337 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681281 679473215 /nfs/dbraw/zinc/47/32/15/679473215.db2.gz JHOPMULCCYCTKA-KRWDZBQOSA-N 2 2 336.439 2.337 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448820 679909694 /nfs/dbraw/zinc/90/96/94/679909694.db2.gz ZJQQYNFDONYSSY-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448820 679909696 /nfs/dbraw/zinc/90/96/96/679909696.db2.gz ZJQQYNFDONYSSY-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448820 679909698 /nfs/dbraw/zinc/90/96/98/679909698.db2.gz ZJQQYNFDONYSSY-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448820 679909700 /nfs/dbraw/zinc/90/97/00/679909700.db2.gz ZJQQYNFDONYSSY-HRCADAONSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982735929 682121189 /nfs/dbraw/zinc/12/11/89/682121189.db2.gz KRWPRBLBCZGUBR-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982735929 682121190 /nfs/dbraw/zinc/12/11/90/682121190.db2.gz KRWPRBLBCZGUBR-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227906 682257417 /nfs/dbraw/zinc/25/74/17/682257417.db2.gz UDPPYJXVKNHRCX-SJORKVTESA-N 2 2 328.460 2.211 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227906 682257421 /nfs/dbraw/zinc/25/74/21/682257421.db2.gz UDPPYJXVKNHRCX-SJORKVTESA-N 2 2 328.460 2.211 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303668 682409002 /nfs/dbraw/zinc/40/90/02/682409002.db2.gz ITYCINQLTLUMFM-JKSUJKDBSA-N 2 2 336.867 2.481 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303668 682409004 /nfs/dbraw/zinc/40/90/04/682409004.db2.gz ITYCINQLTLUMFM-JKSUJKDBSA-N 2 2 336.867 2.481 20 30 EEEDLP N#Cc1cccc(C[NH2+]C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001026568179 684745075 /nfs/dbraw/zinc/74/50/75/684745075.db2.gz XGVNJTPGHKEGJY-UHFFFAOYSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989639461 692113771 /nfs/dbraw/zinc/11/37/71/692113771.db2.gz YFQAQGDAPNYHNM-GJZGRUSLSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943253411 1192141879 /nfs/dbraw/zinc/14/18/79/1192141879.db2.gz IAAIVESMPQIHRM-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943253411 1192141881 /nfs/dbraw/zinc/14/18/81/1192141881.db2.gz IAAIVESMPQIHRM-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001481771951 1182666607 /nfs/dbraw/zinc/66/66/07/1182666607.db2.gz BFSIHXMCJPUROE-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001481771951 1182666611 /nfs/dbraw/zinc/66/66/11/1182666611.db2.gz BFSIHXMCJPUROE-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482611802 1187387038 /nfs/dbraw/zinc/38/70/38/1187387038.db2.gz FPLOMDDKUCDUHV-UHFFFAOYSA-N 2 2 333.823 2.024 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482611802 1187387040 /nfs/dbraw/zinc/38/70/40/1187387040.db2.gz FPLOMDDKUCDUHV-UHFFFAOYSA-N 2 2 333.823 2.024 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001075969231 1188439698 /nfs/dbraw/zinc/43/96/98/1188439698.db2.gz UHNGOZJUNBMVLG-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001075969231 1188439701 /nfs/dbraw/zinc/43/97/01/1188439701.db2.gz UHNGOZJUNBMVLG-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001075969231 1188439703 /nfs/dbraw/zinc/43/97/03/1188439703.db2.gz UHNGOZJUNBMVLG-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001075969231 1188439705 /nfs/dbraw/zinc/43/97/05/1188439705.db2.gz UHNGOZJUNBMVLG-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001483148993 1188867853 /nfs/dbraw/zinc/86/78/53/1188867853.db2.gz FDGMAPDWPMPRAC-CQSZACIVSA-N 2 2 333.395 2.114 20 30 EEEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001272877072 1193590089 /nfs/dbraw/zinc/59/00/89/1193590089.db2.gz AWAYWTWTWFOYKI-RTBURBONSA-N 2 2 334.423 2.071 20 30 EEEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001272877072 1193590091 /nfs/dbraw/zinc/59/00/91/1193590091.db2.gz AWAYWTWTWFOYKI-RTBURBONSA-N 2 2 334.423 2.071 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473647 1194632079 /nfs/dbraw/zinc/63/20/79/1194632079.db2.gz MXHDERZEEKJPPU-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473647 1194632082 /nfs/dbraw/zinc/63/20/82/1194632082.db2.gz MXHDERZEEKJPPU-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837304 1195355992 /nfs/dbraw/zinc/35/59/92/1195355992.db2.gz HACOYHAASIQDRI-YJBOKZPZSA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837304 1195355996 /nfs/dbraw/zinc/35/59/96/1195355996.db2.gz HACOYHAASIQDRI-YJBOKZPZSA-N 2 2 345.491 2.289 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C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001054155748 1247553848 /nfs/dbraw/zinc/55/38/48/1247553848.db2.gz YTIQOOCLXXTMEK-YLJYHZDGSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054211954 1247730113 /nfs/dbraw/zinc/73/01/13/1247730113.db2.gz BKAQSWHSMYPYEV-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054211954 1247730118 /nfs/dbraw/zinc/73/01/18/1247730118.db2.gz BKAQSWHSMYPYEV-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054211954 1247730122 /nfs/dbraw/zinc/73/01/22/1247730122.db2.gz BKAQSWHSMYPYEV-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054211954 1247730128 /nfs/dbraw/zinc/73/01/28/1247730128.db2.gz BKAQSWHSMYPYEV-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240734 1247834506 /nfs/dbraw/zinc/83/45/06/1247834506.db2.gz AEVSSIAPYRLOAA-QGZVFWFLSA-N 2 2 336.867 2.259 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240734 1247834517 /nfs/dbraw/zinc/83/45/17/1247834517.db2.gz AEVSSIAPYRLOAA-QGZVFWFLSA-N 2 2 336.867 2.259 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290507 1248024502 /nfs/dbraw/zinc/02/45/02/1248024502.db2.gz RIHZBCSUHYPJCL-UHFFFAOYSA-N 2 2 334.423 2.026 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290507 1248024513 /nfs/dbraw/zinc/02/45/13/1248024513.db2.gz RIHZBCSUHYPJCL-UHFFFAOYSA-N 2 2 334.423 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491228759 1258816099 /nfs/dbraw/zinc/81/60/99/1258816099.db2.gz HIBWDSJXJWKZJU-MRXNPFEDSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491228759 1258816107 /nfs/dbraw/zinc/81/61/07/1258816107.db2.gz HIBWDSJXJWKZJU-MRXNPFEDSA-N 2 2 327.900 2.442 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001135132606 1278156274 /nfs/dbraw/zinc/15/62/74/1278156274.db2.gz SSDJCXFJEXZBGF-HOTGVXAUSA-N 2 2 339.443 2.218 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196970772 1284364251 /nfs/dbraw/zinc/36/42/51/1284364251.db2.gz VXQVUSTWGQDYSN-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001196970772 1284364261 /nfs/dbraw/zinc/36/42/61/1284364261.db2.gz VXQVUSTWGQDYSN-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP C=CCC[NH2+]C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001203176372 1284420665 /nfs/dbraw/zinc/42/06/65/1284420665.db2.gz VOXFMKVVHJUHDT-UHFFFAOYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001202150009 1289931889 /nfs/dbraw/zinc/93/18/89/1289931889.db2.gz SKNOASAMQROHRH-LJQANCHMSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001202150009 1289931894 /nfs/dbraw/zinc/93/18/94/1289931894.db2.gz SKNOASAMQROHRH-LJQANCHMSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748880 1294147387 /nfs/dbraw/zinc/14/73/87/1294147387.db2.gz WXUKTLADCVGNHH-SZXPJGKVSA-N 2 2 346.475 2.426 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748880 1294147392 /nfs/dbraw/zinc/14/73/92/1294147392.db2.gz WXUKTLADCVGNHH-SZXPJGKVSA-N 2 2 346.475 2.426 20 30 EEEDLP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000859213183 1294350274 /nfs/dbraw/zinc/35/02/74/1294350274.db2.gz UXQHGIJKXIKQSC-IBGZPJMESA-N 2 2 336.439 2.278 20 30 EEEDLP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000859213183 1294350280 /nfs/dbraw/zinc/35/02/80/1294350280.db2.gz UXQHGIJKXIKQSC-IBGZPJMESA-N 2 2 336.439 2.278 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H](OC)C1 ZINC001213713197 1296144894 /nfs/dbraw/zinc/14/48/94/1296144894.db2.gz MTJRLJJJGZSTKT-GUDVDZBRSA-N 2 2 345.487 2.071 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H](OC)C1 ZINC001213713197 1296144896 /nfs/dbraw/zinc/14/48/96/1296144896.db2.gz MTJRLJJJGZSTKT-GUDVDZBRSA-N 2 2 345.487 2.071 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713197 1296144902 /nfs/dbraw/zinc/14/49/02/1296144902.db2.gz MTJRLJJJGZSTKT-GUDVDZBRSA-N 2 2 345.487 2.071 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](OC)C1 ZINC001213713197 1296144905 /nfs/dbraw/zinc/14/49/05/1296144905.db2.gz MTJRLJJJGZSTKT-GUDVDZBRSA-N 2 2 345.487 2.071 20 30 EEEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001223541181 1300169107 /nfs/dbraw/zinc/16/91/07/1300169107.db2.gz JWYMUQHAPCYHQS-GOSISDBHSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001223661792 1300216017 /nfs/dbraw/zinc/21/60/17/1300216017.db2.gz ZCYAGVFWIPEFNP-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277458350 1303276382 /nfs/dbraw/zinc/27/63/82/1303276382.db2.gz WRPHFXFIBYQQIG-UHFFFAOYSA-N 2 2 337.471 2.109 20 30 EEEDLP C(#Cc1ccccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001235064640 1305102565 /nfs/dbraw/zinc/10/25/65/1305102565.db2.gz SKIIBVTVXKHDDO-QFIPXVFZSA-N 2 2 331.463 2.224 20 30 EEEDLP C(#Cc1ccccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001235064640 1305102568 /nfs/dbraw/zinc/10/25/68/1305102568.db2.gz SKIIBVTVXKHDDO-QFIPXVFZSA-N 2 2 331.463 2.224 20 30 EEEDLP CC(=NNCCC[NH+]1CCOCC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000799488095 1305276373 /nfs/dbraw/zinc/27/63/73/1305276373.db2.gz NIDOYLOEYIETJB-UHFFFAOYSA-N 2 2 341.459 2.217 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824968 1316386028 /nfs/dbraw/zinc/38/60/28/1316386028.db2.gz PDDSNODUJXWZRG-MSOLQXFVSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824968 1316386032 /nfs/dbraw/zinc/38/60/32/1316386032.db2.gz PDDSNODUJXWZRG-MSOLQXFVSA-N 2 2 348.491 2.225 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001253397767 1317841502 /nfs/dbraw/zinc/84/15/02/1317841502.db2.gz RERTXTUAMMQYME-AEFFLSMTSA-N 2 2 331.460 2.150 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001253397767 1317841515 /nfs/dbraw/zinc/84/15/15/1317841515.db2.gz RERTXTUAMMQYME-AEFFLSMTSA-N 2 2 331.460 2.150 20 30 EEEDLP C[NH+](C)C1(CNc2nc3c(cc2C#N)CCCC3)CC[NH+](C)CC1 ZINC001156184833 1317910781 /nfs/dbraw/zinc/91/07/81/1317910781.db2.gz FJCJDTVDQMEGNI-UHFFFAOYSA-N 2 2 327.476 2.270 20 30 EEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001158147572 1319044004 /nfs/dbraw/zinc/04/40/04/1319044004.db2.gz AGNAWTZAPDXSKT-FUHWJXTLSA-N 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VEQFBVFBHKFHJE-BFYDXBDKSA-N 2 2 328.460 2.329 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170060267 806819837 /nfs/dbraw/zinc/81/98/37/806819837.db2.gz IFNGOEVTMFJMTD-HNNXBMFYSA-N 2 2 327.432 2.332 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001183764547 801726106 /nfs/dbraw/zinc/72/61/06/801726106.db2.gz BFWMXTQMTOJMHA-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651366 802116368 /nfs/dbraw/zinc/11/63/68/802116368.db2.gz DNFNGCKKNHYPGL-WBVHZDCISA-N 2 2 330.476 2.024 20 30 EEEDLP N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498657 802232213 /nfs/dbraw/zinc/23/22/13/802232213.db2.gz OHMVFRQHYKAPPD-MOPGFXCFSA-N 2 2 344.503 2.087 20 30 EEEDLP N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498657 802232218 /nfs/dbraw/zinc/23/22/18/802232218.db2.gz OHMVFRQHYKAPPD-MOPGFXCFSA-N 2 2 344.503 2.087 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433821 805456665 /nfs/dbraw/zinc/45/66/65/805456665.db2.gz ZLBREIAUBSUBQA-OWSLCNJRSA-N 2 2 328.460 2.215 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433821 805456669 /nfs/dbraw/zinc/45/66/69/805456669.db2.gz ZLBREIAUBSUBQA-OWSLCNJRSA-N 2 2 328.460 2.215 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001109463858 805504602 /nfs/dbraw/zinc/50/46/02/805504602.db2.gz AHUUDKLRZGYUAR-YVSFHVDLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001109463858 805504607 /nfs/dbraw/zinc/50/46/07/805504607.db2.gz AHUUDKLRZGYUAR-YVSFHVDLSA-N 2 2 328.460 2.133 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCN2CCc3ccccc32)cc1 ZINC000793828383 810553581 /nfs/dbraw/zinc/55/35/81/810553581.db2.gz MGNFAGCSMTXZFJ-UHFFFAOYSA-N 2 2 338.455 2.448 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001440465454 1093688187 /nfs/dbraw/zinc/68/81/87/1093688187.db2.gz WLXKJORYYWVZRP-HNNXBMFYSA-N 2 2 338.883 2.287 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001440465454 1093688188 /nfs/dbraw/zinc/68/81/88/1093688188.db2.gz WLXKJORYYWVZRP-HNNXBMFYSA-N 2 2 338.883 2.287 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C(C)(C)C ZINC001507972878 1115382580 /nfs/dbraw/zinc/38/25/80/1115382580.db2.gz ZPSNCUWFUPVAHU-AWEZNQCLSA-N 2 2 342.871 2.223 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970022274 675395328 /nfs/dbraw/zinc/39/53/28/675395328.db2.gz YTUJYNVNVPJIPH-HOCLYGCPSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970022274 675395330 /nfs/dbraw/zinc/39/53/30/675395330.db2.gz YTUJYNVNVPJIPH-HOCLYGCPSA-N 2 2 327.900 2.296 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000181400719 234174599 /nfs/dbraw/zinc/17/45/99/234174599.db2.gz WXDJYRJVPPEZSS-UHFFFAOYSA-N 2 2 348.450 2.411 20 30 EEEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000442791860 242115079 /nfs/dbraw/zinc/11/50/79/242115079.db2.gz OMMLXXHUMBOXIK-FUHWJXTLSA-N 2 2 329.444 2.179 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000159863738 311347546 /nfs/dbraw/zinc/34/75/46/311347546.db2.gz ZSFAURLKRQEICE-UHFFFAOYSA-N 2 2 338.411 2.293 20 30 EEEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000577468598 320256855 /nfs/dbraw/zinc/25/68/55/320256855.db2.gz FDDMANDVUJVCJI-QGZVFWFLSA-N 2 2 336.395 2.435 20 30 EEEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000577468598 320256857 /nfs/dbraw/zinc/25/68/57/320256857.db2.gz FDDMANDVUJVCJI-QGZVFWFLSA-N 2 2 336.395 2.435 20 30 EEEDLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329290181 465290318 /nfs/dbraw/zinc/29/03/18/465290318.db2.gz IIDNNJUQPHUVJP-LSDHHAIUSA-N 2 2 333.480 2.419 20 30 EEEDLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329290181 465290324 /nfs/dbraw/zinc/29/03/24/465290324.db2.gz IIDNNJUQPHUVJP-LSDHHAIUSA-N 2 2 333.480 2.419 20 30 EEEDLP CCCCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000060197290 462540271 /nfs/dbraw/zinc/54/02/71/462540271.db2.gz PSYNHGBTRIVAOR-UHFFFAOYSA-N 2 2 346.475 2.226 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)c1 ZINC000120849387 463046927 /nfs/dbraw/zinc/04/69/27/463046927.db2.gz HBORLCIMJFNKEA-UHFFFAOYSA-N 2 2 338.411 2.293 20 30 EEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccc(C#N)c1 ZINC000058396655 463592130 /nfs/dbraw/zinc/59/21/30/463592130.db2.gz WDMOBYWBXALZPO-UHFFFAOYSA-N 2 2 340.471 2.147 20 30 EEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccc(C#N)c1 ZINC000058396655 463592134 /nfs/dbraw/zinc/59/21/34/463592134.db2.gz WDMOBYWBXALZPO-UHFFFAOYSA-N 2 2 340.471 2.147 20 30 EEEDLP CC[NH+]=C(NCCc1ccccn1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262006685 463925052 /nfs/dbraw/zinc/92/50/52/463925052.db2.gz VSUFSYFQYBNSIY-AEFFLSMTSA-N 2 2 340.475 2.369 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164336 464553017 /nfs/dbraw/zinc/55/30/17/464553017.db2.gz IIRMXTHLIACSDX-SJORKVTESA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164336 464553020 /nfs/dbraw/zinc/55/30/20/464553020.db2.gz IIRMXTHLIACSDX-SJORKVTESA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247435298 464679594 /nfs/dbraw/zinc/67/95/94/464679594.db2.gz IMFLOFADXDGQBH-DLBZAZTESA-N 2 2 343.475 2.451 20 30 EEEDLP C[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247435298 464679602 /nfs/dbraw/zinc/67/96/02/464679602.db2.gz IMFLOFADXDGQBH-DLBZAZTESA-N 2 2 343.475 2.451 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ocnc3C3CC3)CC2)CC1 ZINC000329465730 465342273 /nfs/dbraw/zinc/34/22/73/465342273.db2.gz VGICNTZLXCXRED-UHFFFAOYSA-N 2 2 332.448 2.415 20 30 EEEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329518502 465359939 /nfs/dbraw/zinc/35/99/39/465359939.db2.gz PSNFDBMZNJGDLB-HOCLYGCPSA-N 2 2 332.448 2.045 20 30 EEEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329518502 465359946 /nfs/dbraw/zinc/35/99/46/465359946.db2.gz PSNFDBMZNJGDLB-HOCLYGCPSA-N 2 2 332.448 2.045 20 30 EEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000356880787 465597162 /nfs/dbraw/zinc/59/71/62/465597162.db2.gz VLMZPFGIUAFOLO-QGZVFWFLSA-N 2 2 339.524 2.279 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000333556569 466623421 /nfs/dbraw/zinc/62/34/21/466623421.db2.gz NLNJISQBQZVQIZ-NVXWUHKLSA-N 2 2 342.443 2.266 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000333556569 466623426 /nfs/dbraw/zinc/62/34/26/466623426.db2.gz NLNJISQBQZVQIZ-NVXWUHKLSA-N 2 2 342.443 2.266 20 30 EEEDLP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)CC1 ZINC000583807266 468758149 /nfs/dbraw/zinc/75/81/49/468758149.db2.gz FFQDRDXSCXROFC-HXUWFJFHSA-N 2 2 339.487 2.357 20 30 EEEDLP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)CC1 ZINC000583807266 468758154 /nfs/dbraw/zinc/75/81/54/468758154.db2.gz FFQDRDXSCXROFC-HXUWFJFHSA-N 2 2 339.487 2.357 20 30 EEEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595484283 468872355 /nfs/dbraw/zinc/87/23/55/468872355.db2.gz PGPLGNZNKKJBAC-MRXNPFEDSA-N 2 2 349.450 2.242 20 30 EEEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595484283 468872358 /nfs/dbraw/zinc/87/23/58/468872358.db2.gz PGPLGNZNKKJBAC-MRXNPFEDSA-N 2 2 349.450 2.242 20 30 EEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000595512012 468883342 /nfs/dbraw/zinc/88/33/42/468883342.db2.gz OTHGTQMKIYMZOV-UHFFFAOYSA-N 2 2 331.460 2.010 20 30 EEEDLP N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716998 469019845 /nfs/dbraw/zinc/01/98/45/469019845.db2.gz SMIXXAPRJKFHRO-SFHVURJKSA-N 2 2 329.444 2.124 20 30 EEEDLP N#Cc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716998 469019856 /nfs/dbraw/zinc/01/98/56/469019856.db2.gz SMIXXAPRJKFHRO-SFHVURJKSA-N 2 2 329.444 2.124 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000589159683 469202678 /nfs/dbraw/zinc/20/26/78/469202678.db2.gz IVGUVPIQLNBCIC-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000589159683 469202684 /nfs/dbraw/zinc/20/26/84/469202684.db2.gz IVGUVPIQLNBCIC-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP C=CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000111257939 526978203 /nfs/dbraw/zinc/97/82/03/526978203.db2.gz MGUSTAWXXZKYCC-UHFFFAOYSA-N 2 2 333.501 2.290 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245445470 535599081 /nfs/dbraw/zinc/59/90/81/535599081.db2.gz KKGLLXZHYAMPSW-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245445470 535599087 /nfs/dbraw/zinc/59/90/87/535599087.db2.gz KKGLLXZHYAMPSW-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP C#CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CC1 ZINC000763951248 577728585 /nfs/dbraw/zinc/72/85/85/577728585.db2.gz SITUAQNEZNUPEF-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CC1 ZINC000763951248 577728586 /nfs/dbraw/zinc/72/85/86/577728586.db2.gz SITUAQNEZNUPEF-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000763951248 577728587 /nfs/dbraw/zinc/72/85/87/577728587.db2.gz SITUAQNEZNUPEF-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000763951248 577728588 /nfs/dbraw/zinc/72/85/88/577728588.db2.gz SITUAQNEZNUPEF-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000747838855 577951207 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UTROBPSNRJZPLI-IXDOHACOSA-N 2 2 349.438 2.138 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447442 679313762 /nfs/dbraw/zinc/31/37/62/679313762.db2.gz NMHDZURYRFDNIU-GJZGRUSLSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447442 679313763 /nfs/dbraw/zinc/31/37/63/679313763.db2.gz NMHDZURYRFDNIU-GJZGRUSLSA-N 2 2 336.867 2.026 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293028 682402784 /nfs/dbraw/zinc/40/27/84/682402784.db2.gz OYBAWELCSOPNCL-MSOLQXFVSA-N 2 2 328.460 2.129 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293028 682402787 /nfs/dbraw/zinc/40/27/87/682402787.db2.gz OYBAWELCSOPNCL-MSOLQXFVSA-N 2 2 328.460 2.129 20 30 EEEDLP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261987779 682734320 /nfs/dbraw/zinc/73/43/20/682734320.db2.gz QMTNGUJZQBFFOV-BZSNNMDCSA-N 3 2 346.523 2.073 20 30 EEEDLP 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325.884 2.191 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095440185 1205758045 /nfs/dbraw/zinc/75/80/45/1205758045.db2.gz ZJLAPJZBYLNIKE-CWVYHPPDSA-N 2 2 325.884 2.191 20 30 EEEDLP N#CC1(CCCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000930071127 1206532931 /nfs/dbraw/zinc/53/29/31/1206532931.db2.gz CDWGWUOGLQKSRQ-KRWDZBQOSA-N 2 2 332.492 2.265 20 30 EEEDLP N#CC1(CCCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000930071127 1206532933 /nfs/dbraw/zinc/53/29/33/1206532933.db2.gz CDWGWUOGLQKSRQ-KRWDZBQOSA-N 2 2 332.492 2.265 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000947767373 1208707727 /nfs/dbraw/zinc/70/77/27/1208707727.db2.gz OAFVATFCVCQPAX-QZTJIDSGSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000947767373 1208707730 /nfs/dbraw/zinc/70/77/30/1208707730.db2.gz OAFVATFCVCQPAX-QZTJIDSGSA-N 2 2 349.519 2.177 20 30 EEEDLP 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/nfs/dbraw/zinc/48/56/65/1305485665.db2.gz MBCKSAKNPURWRB-INIZCTEOSA-N 2 2 330.476 2.430 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458620 1309555007 /nfs/dbraw/zinc/55/50/07/1309555007.db2.gz HVMSAVQNLWHVGO-MOPGFXCFSA-N 2 2 342.487 2.390 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458620 1309555017 /nfs/dbraw/zinc/55/50/17/1309555017.db2.gz HVMSAVQNLWHVGO-MOPGFXCFSA-N 2 2 342.487 2.390 20 30 EEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001154836516 1317341351 /nfs/dbraw/zinc/34/13/51/1317341351.db2.gz BUOGUTCHDATJEY-AEFFLSMTSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001154836516 1317341359 /nfs/dbraw/zinc/34/13/59/1317341359.db2.gz BUOGUTCHDATJEY-AEFFLSMTSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001154836516 1317341367 /nfs/dbraw/zinc/34/13/67/1317341367.db2.gz BUOGUTCHDATJEY-AEFFLSMTSA-N 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C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001316606761 1324582880 /nfs/dbraw/zinc/58/28/80/1324582880.db2.gz PLERFXRSJJYOIS-OALUTQOASA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001316606761 1324582886 /nfs/dbraw/zinc/58/28/86/1324582886.db2.gz PLERFXRSJJYOIS-OALUTQOASA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001316606761 1324582888 /nfs/dbraw/zinc/58/28/88/1324582888.db2.gz PLERFXRSJJYOIS-OALUTQOASA-N 2 2 327.472 2.235 20 30 EEEDLP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001335440485 1336375449 /nfs/dbraw/zinc/37/54/49/1336375449.db2.gz LRXUDQOLJOQPQX-INIZCTEOSA-N 2 2 349.500 2.042 20 30 EEEDLP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001335440485 1336375453 /nfs/dbraw/zinc/37/54/53/1336375453.db2.gz LRXUDQOLJOQPQX-INIZCTEOSA-N 2 2 349.500 2.042 20 30 EEEDLP C=C(C)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 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C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028239472 779537452 /nfs/dbraw/zinc/53/74/52/779537452.db2.gz NPEAAAXZWMBCGQ-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028239472 779537457 /nfs/dbraw/zinc/53/74/57/779537457.db2.gz NPEAAAXZWMBCGQ-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590997 781900282 /nfs/dbraw/zinc/90/02/82/781900282.db2.gz IROVBBHIZSQRIM-JKSUJKDBSA-N 2 2 333.501 2.416 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590997 781900288 /nfs/dbraw/zinc/90/02/88/781900288.db2.gz IROVBBHIZSQRIM-JKSUJKDBSA-N 2 2 333.501 2.416 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001088337942 783557740 /nfs/dbraw/zinc/55/77/40/783557740.db2.gz RDEAUOSQPDPKNG-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c(C)c[nH+]c3c1)CC2 ZINC001035185321 784022890 /nfs/dbraw/zinc/02/28/90/784022890.db2.gz YTTJXCYVFGWNCD-UHFFFAOYSA-N 2 2 336.439 2.204 20 30 EEEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c(C)c[nH+]c3c1)CC2 ZINC001035185321 784022903 /nfs/dbraw/zinc/02/29/03/784022903.db2.gz YTTJXCYVFGWNCD-UHFFFAOYSA-N 2 2 336.439 2.204 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035203110 784050115 /nfs/dbraw/zinc/05/01/15/784050115.db2.gz YEELOPXQXZNEER-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035203110 784050119 /nfs/dbraw/zinc/05/01/19/784050119.db2.gz YEELOPXQXZNEER-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136030636 785010057 /nfs/dbraw/zinc/01/00/57/785010057.db2.gz AYVXBZGOFVMSEU-QWRGUYRKSA-N 2 2 343.269 2.042 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001136030852 785010773 /nfs/dbraw/zinc/01/07/73/785010773.db2.gz CVMRZGHGYNARNO-UONOGXRCSA-N 2 2 339.443 2.205 20 30 EEEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)ccc1OC ZINC000817919003 785072411 /nfs/dbraw/zinc/07/24/11/785072411.db2.gz OQRZZVTVBBBDRV-DJIMGWMZSA-N 2 2 347.459 2.233 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190565 786106239 /nfs/dbraw/zinc/10/62/39/786106239.db2.gz LSPUAVVJEUTYLO-MSOLQXFVSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190565 786106243 /nfs/dbraw/zinc/10/62/43/786106243.db2.gz LSPUAVVJEUTYLO-MSOLQXFVSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001036255044 786111845 /nfs/dbraw/zinc/11/18/45/786111845.db2.gz XGTIZMDKZLUFBZ-WBVHZDCISA-N 2 2 339.443 2.284 20 30 EEEDLP COCC[N@H+](C)CCNC(NCc1cccs1)=[NH+]C(C)(C)C ZINC000912506176 788214091 /nfs/dbraw/zinc/21/40/91/788214091.db2.gz JVWBWJVAELVTFQ-UHFFFAOYSA-N 2 2 326.510 2.160 20 30 EEEDLP COCC[N@@H+](C)CCNC(NCc1cccs1)=[NH+]C(C)(C)C ZINC000912506176 788214099 /nfs/dbraw/zinc/21/40/99/788214099.db2.gz JVWBWJVAELVTFQ-UHFFFAOYSA-N 2 2 326.510 2.160 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998261909 792375612 /nfs/dbraw/zinc/37/56/12/792375612.db2.gz NMICOQRTWGVBQX-OLZOCXBDSA-N 2 2 344.381 2.287 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091890058 793354170 /nfs/dbraw/zinc/35/41/70/793354170.db2.gz CYCLNKCYOQSUGE-XLIONFOSSA-N 2 2 336.439 2.452 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091890058 793354183 /nfs/dbraw/zinc/35/41/83/793354183.db2.gz CYCLNKCYOQSUGE-XLIONFOSSA-N 2 2 336.439 2.452 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092614439 794184143 /nfs/dbraw/zinc/18/41/43/794184143.db2.gz AQXAVYZESYMHEO-BRSBDYLESA-N 2 2 342.487 2.024 20 30 EEEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092614439 794184148 /nfs/dbraw/zinc/18/41/48/794184148.db2.gz AQXAVYZESYMHEO-BRSBDYLESA-N 2 2 342.487 2.024 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958179 794478087 /nfs/dbraw/zinc/47/80/87/794478087.db2.gz NDMLJMGXNOPAET-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958179 794478090 /nfs/dbraw/zinc/47/80/90/794478090.db2.gz NDMLJMGXNOPAET-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCS[C@H](C(C)C)C1 ZINC000153765965 796592872 /nfs/dbraw/zinc/59/28/72/796592872.db2.gz CRSYFJMMVFSOKN-INIZCTEOSA-N 2 2 349.548 2.411 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078737394 796938471 /nfs/dbraw/zinc/93/84/71/796938471.db2.gz ZKTKCNLRHLLULE-MSOLQXFVSA-N 2 2 349.438 2.041 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162216 798783324 /nfs/dbraw/zinc/78/33/24/798783324.db2.gz JQRUWMKJSWXMEL-MOPGFXCFSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162216 798783327 /nfs/dbraw/zinc/78/33/27/798783327.db2.gz JQRUWMKJSWXMEL-MOPGFXCFSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003515338 799766609 /nfs/dbraw/zinc/76/66/09/799766609.db2.gz DWKNGLCETWXYJN-CQSZACIVSA-N 2 2 336.867 2.087 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669297 801286976 /nfs/dbraw/zinc/28/69/76/801286976.db2.gz KTSYAUWTSABIBK-YKTARERQSA-N 2 2 330.476 2.174 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096002 801587820 /nfs/dbraw/zinc/58/78/20/801587820.db2.gz HTXGHMZMHJVLKT-KRWDZBQOSA-N 2 2 330.476 2.261 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096002 801587825 /nfs/dbraw/zinc/58/78/25/801587825.db2.gz HTXGHMZMHJVLKT-KRWDZBQOSA-N 2 2 330.476 2.261 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001086392578 802882216 /nfs/dbraw/zinc/88/22/16/802882216.db2.gz VWWOGSCKTCPZTK-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001086392578 802882222 /nfs/dbraw/zinc/88/22/22/802882222.db2.gz VWWOGSCKTCPZTK-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001437356406 1089581026 /nfs/dbraw/zinc/58/10/26/1089581026.db2.gz ZITCOPIEOHVSAR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001437356406 1089581036 /nfs/dbraw/zinc/58/10/36/1089581036.db2.gz ZITCOPIEOHVSAR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001437356406 1089581045 /nfs/dbraw/zinc/58/10/45/1089581045.db2.gz ZITCOPIEOHVSAR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001437356406 1089581057 /nfs/dbraw/zinc/58/10/57/1089581057.db2.gz ZITCOPIEOHVSAR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001439402204 1092159207 /nfs/dbraw/zinc/15/92/07/1092159207.db2.gz DACQEDRCNGQRQD-MRXNPFEDSA-N 2 2 339.443 2.172 20 30 EEEDLP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001439402204 1092159210 /nfs/dbraw/zinc/15/92/10/1092159210.db2.gz DACQEDRCNGQRQD-MRXNPFEDSA-N 2 2 339.443 2.172 20 30 EEEDLP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001493156145 1107606557 /nfs/dbraw/zinc/60/65/57/1107606557.db2.gz PDOOPKSEYKZMRL-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001493156145 1107606559 /nfs/dbraw/zinc/60/65/59/1107606559.db2.gz PDOOPKSEYKZMRL-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001493156145 1107606565 /nfs/dbraw/zinc/60/65/65/1107606565.db2.gz PDOOPKSEYKZMRL-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001493156145 1107606568 /nfs/dbraw/zinc/60/65/68/1107606568.db2.gz PDOOPKSEYKZMRL-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CC(C)(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001508028824 1115393232 /nfs/dbraw/zinc/39/32/32/1115393232.db2.gz LSRCEZHLTJYGDC-QGZVFWFLSA-N 2 2 339.443 2.145 20 30 EEEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000113514337 237165614 /nfs/dbraw/zinc/16/56/14/237165614.db2.gz SKGKJKSKOJRJON-SFHVURJKSA-N 2 2 342.487 2.434 20 30 EEEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000113514337 237165622 /nfs/dbraw/zinc/16/56/22/237165622.db2.gz SKGKJKSKOJRJON-SFHVURJKSA-N 2 2 342.487 2.434 20 30 EEEDLP Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364643571 165216562 /nfs/dbraw/zinc/21/65/62/165216562.db2.gz GMRUNLRUALPUIS-ZDUSSCGKSA-N 2 2 333.867 2.496 20 30 EEEDLP Cc1c(Cl)cnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000364643571 165216568 /nfs/dbraw/zinc/21/65/68/165216568.db2.gz GMRUNLRUALPUIS-ZDUSSCGKSA-N 2 2 333.867 2.496 20 30 EEEDLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274613457 269041294 /nfs/dbraw/zinc/04/12/94/269041294.db2.gz PKCOOMAVTXDLRA-INIZCTEOSA-N 2 2 342.487 2.369 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000266150822 274106525 /nfs/dbraw/zinc/10/65/25/274106525.db2.gz KMAMFRBNRNEVHN-QFBILLFUSA-N 2 2 325.412 2.124 20 30 EEEDLP C[C@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000565478935 319186864 /nfs/dbraw/zinc/18/68/64/319186864.db2.gz XGDBXTOOMBJPPX-MRXNPFEDSA-N 2 2 349.500 2.186 20 30 EEEDLP Cc1[nH+]cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)n1C ZINC000577652032 320268389 /nfs/dbraw/zinc/26/83/89/320268389.db2.gz ZDMYDNJNDSLQJS-UHFFFAOYSA-N 2 2 325.416 2.475 20 30 EEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328609511 465069216 /nfs/dbraw/zinc/06/92/16/465069216.db2.gz MVXFGBJRIJXGAR-OAGGEKHMSA-N 2 2 331.464 2.233 20 30 EEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328609511 465069217 /nfs/dbraw/zinc/06/92/17/465069217.db2.gz MVXFGBJRIJXGAR-OAGGEKHMSA-N 2 2 331.464 2.233 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134865380 463089206 /nfs/dbraw/zinc/08/92/06/463089206.db2.gz AXNRDFXCIFIISZ-QQTQMKHKSA-N 2 2 346.519 2.378 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134865380 463089213 /nfs/dbraw/zinc/08/92/13/463089213.db2.gz AXNRDFXCIFIISZ-QQTQMKHKSA-N 2 2 346.519 2.378 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134865380 463089220 /nfs/dbraw/zinc/08/92/20/463089220.db2.gz AXNRDFXCIFIISZ-QQTQMKHKSA-N 2 2 346.519 2.378 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134865380 463089226 /nfs/dbraw/zinc/08/92/26/463089226.db2.gz AXNRDFXCIFIISZ-QQTQMKHKSA-N 2 2 346.519 2.378 20 30 EEEDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000184977577 463729474 /nfs/dbraw/zinc/72/94/74/463729474.db2.gz JBBSNUWHRLPBLP-SFHVURJKSA-N 2 2 328.460 2.031 20 30 EEEDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000184977577 463729480 /nfs/dbraw/zinc/72/94/80/463729480.db2.gz JBBSNUWHRLPBLP-SFHVURJKSA-N 2 2 328.460 2.031 20 30 EEEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261659885 463819529 /nfs/dbraw/zinc/81/95/29/463819529.db2.gz FUVPIFLUHMMNNW-BBWFWOEESA-N 2 2 330.476 2.301 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269101935 463874302 /nfs/dbraw/zinc/87/43/02/463874302.db2.gz GKRYXMUBDQTTIT-UHFFFAOYSA-N 2 2 349.866 2.359 20 30 EEEDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591147550 468415173 /nfs/dbraw/zinc/41/51/73/468415173.db2.gz CFRAEFACGFPDGY-OAHLLOKOSA-N 2 2 343.431 2.355 20 30 EEEDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591147550 468415178 /nfs/dbraw/zinc/41/51/78/468415178.db2.gz CFRAEFACGFPDGY-OAHLLOKOSA-N 2 2 343.431 2.355 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329731023 465419684 /nfs/dbraw/zinc/41/96/84/465419684.db2.gz IBWKDIWNSAYVDI-CABCVRRESA-N 2 2 331.464 2.131 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329731023 465419695 /nfs/dbraw/zinc/41/96/95/465419695.db2.gz IBWKDIWNSAYVDI-CABCVRRESA-N 2 2 331.464 2.131 20 30 EEEDLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349387261 466094416 /nfs/dbraw/zinc/09/44/16/466094416.db2.gz SWQDTVUIOXKSCL-LJQANCHMSA-N 2 2 342.487 2.369 20 30 EEEDLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)C#N ZINC000433315874 467317424 /nfs/dbraw/zinc/31/74/24/467317424.db2.gz ZJFZPVGYZHPPMV-WMZOPIPTSA-N 2 2 342.487 2.247 20 30 EEEDLP 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C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001039137482 1230349787 /nfs/dbraw/zinc/34/97/87/1230349787.db2.gz RTYBQYDETCQPEH-QZTJIDSGSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001039283332 1230508086 /nfs/dbraw/zinc/50/80/86/1230508086.db2.gz SJQKYOGTSRUAPW-ZNXRZULTSA-N 2 2 342.487 2.450 20 30 EEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040259668 1231137513 /nfs/dbraw/zinc/13/75/13/1231137513.db2.gz YBIZXQADBJENJZ-IBGZPJMESA-N 2 2 330.476 2.427 20 30 EEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040259668 1231137517 /nfs/dbraw/zinc/13/75/17/1231137517.db2.gz YBIZXQADBJENJZ-IBGZPJMESA-N 2 2 330.476 2.427 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040390004 1231202071 /nfs/dbraw/zinc/20/20/71/1231202071.db2.gz YEUPAGCSOJBRPJ-OXQOHEQNSA-N 2 2 340.471 2.167 20 30 EEEDLP 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C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001041380632 1231524580 /nfs/dbraw/zinc/52/45/80/1231524580.db2.gz LCHHNLYETLBNFB-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001041380632 1231524582 /nfs/dbraw/zinc/52/45/82/1231524582.db2.gz LCHHNLYETLBNFB-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001041380632 1231524585 /nfs/dbraw/zinc/52/45/85/1231524585.db2.gz LCHHNLYETLBNFB-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001044653844 1233153601 /nfs/dbraw/zinc/15/36/01/1233153601.db2.gz FUZUZNYKXQPHNB-QWHCGFSZSA-N 2 2 340.855 2.071 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982668 1234276535 /nfs/dbraw/zinc/27/65/35/1234276535.db2.gz ZPLGZZMGZSDDKP-HXUWFJFHSA-N 2 2 342.487 2.081 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982668 1234276538 /nfs/dbraw/zinc/27/65/38/1234276538.db2.gz ZPLGZZMGZSDDKP-HXUWFJFHSA-N 2 2 342.487 2.081 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987280 1234284166 /nfs/dbraw/zinc/28/41/66/1234284166.db2.gz MQFWMMHVYITSQK-QGZVFWFLSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987280 1234284171 /nfs/dbraw/zinc/28/41/71/1234284171.db2.gz MQFWMMHVYITSQK-QGZVFWFLSA-N 2 2 336.867 2.340 20 30 EEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001096331056 1237402409 /nfs/dbraw/zinc/40/24/09/1237402409.db2.gz YUODCRONXHNKOL-JLSDUUJJSA-N 2 2 337.427 2.179 20 30 EEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001096331056 1237402411 /nfs/dbraw/zinc/40/24/11/1237402411.db2.gz YUODCRONXHNKOL-JLSDUUJJSA-N 2 2 337.427 2.179 20 30 EEEDLP 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C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@H]2C1 ZINC001049228527 1240321995 /nfs/dbraw/zinc/32/19/95/1240321995.db2.gz GKQGDZPOVUDKJU-CALCHBBNSA-N 2 2 345.512 2.073 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235849 1240342608 /nfs/dbraw/zinc/34/26/08/1240342608.db2.gz VKFDTUKUTSOLEV-KSZLIROESA-N 2 2 347.890 2.432 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049235849 1240342613 /nfs/dbraw/zinc/34/26/13/1240342613.db2.gz VKFDTUKUTSOLEV-KSZLIROESA-N 2 2 347.890 2.432 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049520698 1241223423 /nfs/dbraw/zinc/22/34/23/1241223423.db2.gz DHVMHOWXJFOEQM-OAGGEKHMSA-N 2 2 325.884 2.144 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049520698 1241223430 /nfs/dbraw/zinc/22/34/30/1241223430.db2.gz DHVMHOWXJFOEQM-OAGGEKHMSA-N 2 2 325.884 2.144 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053091343 1245879245 /nfs/dbraw/zinc/87/92/45/1245879245.db2.gz MVVKUUQWHMSFJX-ROUUACIJSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053091343 1245879253 /nfs/dbraw/zinc/87/92/53/1245879253.db2.gz MVVKUUQWHMSFJX-ROUUACIJSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054172984 1247604183 /nfs/dbraw/zinc/60/41/83/1247604183.db2.gz DURKPGJQCDXDPC-QGZVFWFLSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054172984 1247604189 /nfs/dbraw/zinc/60/41/89/1247604189.db2.gz DURKPGJQCDXDPC-QGZVFWFLSA-N 2 2 336.867 2.340 20 30 EEEDLP C=CCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273501772 1278596209 /nfs/dbraw/zinc/59/62/09/1278596209.db2.gz VXBJJWUQMYCSIS-QGZVFWFLSA-N 2 2 330.476 2.458 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001201857052 1289771081 /nfs/dbraw/zinc/77/10/81/1289771081.db2.gz RZBFVUMGNQXCIY-JKSUJKDBSA-N 2 2 348.491 2.249 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084926 1300269932 /nfs/dbraw/zinc/26/99/32/1300269932.db2.gz POMCKZRSIYYVTB-NVXWUHKLSA-N 2 2 331.460 2.283 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084926 1300269940 /nfs/dbraw/zinc/26/99/40/1300269940.db2.gz POMCKZRSIYYVTB-NVXWUHKLSA-N 2 2 331.460 2.283 20 30 EEEDLP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227630160 1301917527 /nfs/dbraw/zinc/91/75/27/1301917527.db2.gz CBCXCRLOLNNBGY-QZTJIDSGSA-N 2 2 343.471 2.287 20 30 EEEDLP C=CCCC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001230939700 1303554351 /nfs/dbraw/zinc/55/43/51/1303554351.db2.gz JOTWOSCKUZPHIW-UHFFFAOYSA-N 2 2 341.459 2.253 20 30 EEEDLP C=CCCC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001230939700 1303554355 /nfs/dbraw/zinc/55/43/55/1303554355.db2.gz JOTWOSCKUZPHIW-UHFFFAOYSA-N 2 2 341.459 2.253 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001111792800 1303894013 /nfs/dbraw/zinc/89/40/13/1303894013.db2.gz OPJVMBLBTVIDED-UWVAXJGDSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001111792800 1303894017 /nfs/dbraw/zinc/89/40/17/1303894017.db2.gz OPJVMBLBTVIDED-UWVAXJGDSA-N 2 2 342.487 2.382 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C[NH+](C)C1CCC1 ZINC001235393910 1305215267 /nfs/dbraw/zinc/21/52/67/1305215267.db2.gz RNDZXJDMJDRNJN-HNNXBMFYSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C[NH+](C)C1CCC1 ZINC001235393910 1305215270 /nfs/dbraw/zinc/21/52/70/1305215270.db2.gz RNDZXJDMJDRNJN-HNNXBMFYSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)s1)C(=O)C[N@H+](C)C1CCC1 ZINC001235393910 1305215278 /nfs/dbraw/zinc/21/52/78/1305215278.db2.gz RNDZXJDMJDRNJN-HNNXBMFYSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)s1)C(=O)C[N@@H+](C)C1CCC1 ZINC001235393910 1305215282 /nfs/dbraw/zinc/21/52/82/1305215282.db2.gz RNDZXJDMJDRNJN-HNNXBMFYSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C[NH+](C)C1CCC1 ZINC001235395790 1305216829 /nfs/dbraw/zinc/21/68/29/1305216829.db2.gz YBENWPMXSPMUCA-FQEVSTJZSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C[NH+](C)C1CCC1 ZINC001235395790 1305216834 /nfs/dbraw/zinc/21/68/34/1305216834.db2.gz YBENWPMXSPMUCA-FQEVSTJZSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1CC#Cc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001235395790 1305216839 /nfs/dbraw/zinc/21/68/39/1305216839.db2.gz YBENWPMXSPMUCA-FQEVSTJZSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1CC#Cc1ccccc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001235395790 1305216845 /nfs/dbraw/zinc/21/68/45/1305216845.db2.gz YBENWPMXSPMUCA-FQEVSTJZSA-N 2 2 339.483 2.055 20 30 EEEDLP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238409409 1308856180 /nfs/dbraw/zinc/85/61/80/1308856180.db2.gz CIZSZBOPZGMRET-UHFFFAOYSA-N 2 2 330.476 2.026 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001121319073 1309980117 /nfs/dbraw/zinc/98/01/17/1309980117.db2.gz UXGBZBUFFKPZPC-DKWICNMVSA-N 2 2 328.460 2.039 20 30 EEEDLP CC(C)C#CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166329 1314577850 /nfs/dbraw/zinc/57/78/50/1314577850.db2.gz UBANLFZVFCHDJM-OALUTQOASA-N 2 2 333.520 2.441 20 30 EEEDLP CC(C)C#CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166329 1314577854 /nfs/dbraw/zinc/57/78/54/1314577854.db2.gz UBANLFZVFCHDJM-OALUTQOASA-N 2 2 333.520 2.441 20 30 EEEDLP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344855 1317088516 /nfs/dbraw/zinc/08/85/16/1317088516.db2.gz NFAQDZMGZVGFMX-GOSISDBHSA-N 2 2 338.455 2.070 20 30 EEEDLP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344855 1317088524 /nfs/dbraw/zinc/08/85/24/1317088524.db2.gz NFAQDZMGZVGFMX-GOSISDBHSA-N 2 2 338.455 2.070 20 30 EEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001156168291 1317905372 /nfs/dbraw/zinc/90/53/72/1317905372.db2.gz XLRCVWITRBQXJB-OAHLLOKOSA-N 2 2 327.432 2.284 20 30 EEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001156168291 1317905375 /nfs/dbraw/zinc/90/53/75/1317905375.db2.gz XLRCVWITRBQXJB-OAHLLOKOSA-N 2 2 327.432 2.284 20 30 EEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556032 1323192530 /nfs/dbraw/zinc/19/25/30/1323192530.db2.gz IQNRUKUIKFUHDV-HNNXBMFYSA-N 2 2 336.867 2.026 20 30 EEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CNc1ccc(C#N)cc1 ZINC001322867762 1333345116 /nfs/dbraw/zinc/34/51/16/1333345116.db2.gz JQYLNTDEOYYRNW-UHFFFAOYSA-N 2 2 332.367 2.498 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCCO1 ZINC001200794632 1338625295 /nfs/dbraw/zinc/62/52/95/1338625295.db2.gz CZWBAQYEXSETAG-QGZVFWFLSA-N 2 2 348.491 2.100 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188284344 1368294470 /nfs/dbraw/zinc/29/44/70/1368294470.db2.gz AAELCOOLPUJSAW-OKZBNKHCSA-N 2 2 328.460 2.026 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188284344 1368294475 /nfs/dbraw/zinc/29/44/75/1368294475.db2.gz AAELCOOLPUJSAW-OKZBNKHCSA-N 2 2 328.460 2.026 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)CCC[NH+](C)C ZINC001488655605 1369025113 /nfs/dbraw/zinc/02/51/13/1369025113.db2.gz NQJJRUYTUNDTSY-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)CCC[NH+](C)C ZINC001488655605 1369025120 /nfs/dbraw/zinc/02/51/20/1369025120.db2.gz NQJJRUYTUNDTSY-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccnc(C#N)n3)cc2)CC1 ZINC000848666095 1373166905 /nfs/dbraw/zinc/16/69/05/1373166905.db2.gz VYMZHUNPBOQXPJ-UHFFFAOYSA-N 2 2 336.443 2.292 20 30 EEEDLP C=C(Cl)C[N@H+](CCC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001372738502 1376173846 /nfs/dbraw/zinc/17/38/46/1376173846.db2.gz YAVAAJREVSRCST-UHFFFAOYSA-N 2 2 347.850 2.462 20 30 EEEDLP C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001372738502 1376173852 /nfs/dbraw/zinc/17/38/52/1376173852.db2.gz YAVAAJREVSRCST-UHFFFAOYSA-N 2 2 347.850 2.462 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001377957812 1379596607 /nfs/dbraw/zinc/59/66/07/1379596607.db2.gz YVJMTPITOKWWKD-AWEZNQCLSA-N 2 2 338.883 2.272 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C[NH+](C)CC(C)(C)C ZINC001401386301 1397217866 /nfs/dbraw/zinc/21/78/66/1397217866.db2.gz UCQFKHAHHXVJIA-UHFFFAOYSA-N 2 2 344.503 2.426 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C[NH+](C)CC(C)(C)C ZINC001401386301 1397217869 /nfs/dbraw/zinc/21/78/69/1397217869.db2.gz UCQFKHAHHXVJIA-UHFFFAOYSA-N 2 2 344.503 2.426 20 30 EEEDLP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)C[N@H+](C)CC(C)(C)C ZINC001401386301 1397217874 /nfs/dbraw/zinc/21/78/74/1397217874.db2.gz UCQFKHAHHXVJIA-UHFFFAOYSA-N 2 2 344.503 2.426 20 30 EEEDLP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001401386301 1397217880 /nfs/dbraw/zinc/21/78/80/1397217880.db2.gz UCQFKHAHHXVJIA-UHFFFAOYSA-N 2 2 344.503 2.426 20 30 EEEDLP C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001401392443 1397226189 /nfs/dbraw/zinc/22/61/89/1397226189.db2.gz BSVNEMCKDQFVAV-INIZCTEOSA-N 2 2 339.443 2.296 20 30 EEEDLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001401392443 1397226205 /nfs/dbraw/zinc/22/62/05/1397226205.db2.gz BSVNEMCKDQFVAV-INIZCTEOSA-N 2 2 339.443 2.296 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001424696362 1401226563 /nfs/dbraw/zinc/22/65/63/1401226563.db2.gz LYWQNMDLMKDPRW-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001424696362 1401226569 /nfs/dbraw/zinc/22/65/69/1401226569.db2.gz LYWQNMDLMKDPRW-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001424696362 1401226576 /nfs/dbraw/zinc/22/65/76/1401226576.db2.gz LYWQNMDLMKDPRW-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001424696362 1401226580 /nfs/dbraw/zinc/22/65/80/1401226580.db2.gz LYWQNMDLMKDPRW-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460303 760894444 /nfs/dbraw/zinc/89/44/44/760894444.db2.gz OCQMVFOWZTVEHV-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460303 760894460 /nfs/dbraw/zinc/89/44/60/760894460.db2.gz OCQMVFOWZTVEHV-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC=C ZINC001089654235 773870056 /nfs/dbraw/zinc/87/00/56/773870056.db2.gz VXOMSNORXAGNKF-ROUUACIJSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC=C ZINC001089654235 773870065 /nfs/dbraw/zinc/87/00/65/773870065.db2.gz VXOMSNORXAGNKF-ROUUACIJSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC=C ZINC001089654235 773870073 /nfs/dbraw/zinc/87/00/73/773870073.db2.gz VXOMSNORXAGNKF-ROUUACIJSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC=C ZINC001089654235 773870080 /nfs/dbraw/zinc/87/00/80/773870080.db2.gz VXOMSNORXAGNKF-ROUUACIJSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980143829 773940196 /nfs/dbraw/zinc/94/01/96/773940196.db2.gz PARPWRBULUDRQQ-BBWFWOEESA-N 2 2 336.439 2.188 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980143829 773940201 /nfs/dbraw/zinc/94/02/01/773940201.db2.gz PARPWRBULUDRQQ-BBWFWOEESA-N 2 2 336.439 2.188 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000981363008 777255466 /nfs/dbraw/zinc/25/54/66/777255466.db2.gz AEMBUSJUHZSGLS-ZWKOTPCHSA-N 2 2 349.519 2.225 20 30 EEEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001127685249 778826940 /nfs/dbraw/zinc/82/69/40/778826940.db2.gz KLKQXZDQDPGXTF-HNNXBMFYSA-N 2 2 339.443 2.174 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786057 783313550 /nfs/dbraw/zinc/31/35/50/783313550.db2.gz CKEPBEJSLAJROR-XMTFNYHQSA-N 2 2 342.487 2.270 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786057 783313559 /nfs/dbraw/zinc/31/35/59/783313559.db2.gz CKEPBEJSLAJROR-XMTFNYHQSA-N 2 2 342.487 2.270 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798346 784461324 /nfs/dbraw/zinc/46/13/24/784461324.db2.gz FFQRVNYZTUMHDP-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086799936 784653136 /nfs/dbraw/zinc/65/31/36/784653136.db2.gz MQGAWYUOXDGMCN-BFHYXJOUSA-N 2 2 336.867 2.457 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035741047 785055019 /nfs/dbraw/zinc/05/50/19/785055019.db2.gz KTZKZZQQIVGTIX-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001036208250 785996342 /nfs/dbraw/zinc/99/63/42/785996342.db2.gz PCYYVNIIDPTFAK-QZTJIDSGSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148695002 792631806 /nfs/dbraw/zinc/63/18/06/792631806.db2.gz MNIKQZJDXWFDPD-INIZCTEOSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148695002 792631812 /nfs/dbraw/zinc/63/18/12/792631812.db2.gz MNIKQZJDXWFDPD-INIZCTEOSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945546 793042186 /nfs/dbraw/zinc/04/21/86/793042186.db2.gz DOKKQOHUTQWGDP-IAGOWNOFSA-N 2 2 328.460 2.170 20 30 EEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000998789042 793407988 /nfs/dbraw/zinc/40/79/88/793407988.db2.gz WQUOSDVZUJERHK-AQEOSJORSA-N 2 2 342.487 2.309 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@H]12 ZINC000992400104 793963696 /nfs/dbraw/zinc/96/36/96/793963696.db2.gz UAZCIJVRDOEDLV-HKUYNNGSSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@H]12 ZINC000992400104 793963703 /nfs/dbraw/zinc/96/37/03/793963703.db2.gz UAZCIJVRDOEDLV-HKUYNNGSSA-N 2 2 337.427 2.180 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742632 794288174 /nfs/dbraw/zinc/28/81/74/794288174.db2.gz XYSZIBXQTFVXFY-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742632 794288182 /nfs/dbraw/zinc/28/81/82/794288182.db2.gz XYSZIBXQTFVXFY-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379509 795117286 /nfs/dbraw/zinc/11/72/86/795117286.db2.gz ATTDJZJGZFZROZ-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379509 795117288 /nfs/dbraw/zinc/11/72/88/795117288.db2.gz ATTDJZJGZFZROZ-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380173 795118340 /nfs/dbraw/zinc/11/83/40/795118340.db2.gz SSMBMGCHZQYWLC-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380173 795118343 /nfs/dbraw/zinc/11/83/43/795118343.db2.gz SSMBMGCHZQYWLC-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288096 795347407 /nfs/dbraw/zinc/34/74/07/795347407.db2.gz DEEMWPNOJNQZFB-KURKYZTESA-N 2 2 330.476 2.178 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001093581391 795392229 /nfs/dbraw/zinc/39/22/29/795392229.db2.gz IUGLMTZDBKZTST-QGZVFWFLSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106334219 795411723 /nfs/dbraw/zinc/41/17/23/795411723.db2.gz XYVJNCSEJRZDGK-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343300 795423730 /nfs/dbraw/zinc/42/37/30/795423730.db2.gz XXZLMQXUDUGMRK-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001000205568 795506816 /nfs/dbraw/zinc/50/68/16/795506816.db2.gz WNFDUDBBBNXFMO-INIZCTEOSA-N 2 2 342.487 2.382 20 30 EEEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C#N ZINC001172975302 797177951 /nfs/dbraw/zinc/17/79/51/797177951.db2.gz YKRSUXUJKWJVAJ-ULQDDVLXSA-N 2 2 348.491 2.352 20 30 EEEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C#N ZINC001172975302 797177954 /nfs/dbraw/zinc/17/79/54/797177954.db2.gz YKRSUXUJKWJVAJ-ULQDDVLXSA-N 2 2 348.491 2.352 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001842811 797249171 /nfs/dbraw/zinc/24/91/71/797249171.db2.gz SJVVCULJQCQULF-IAGOWNOFSA-N 2 2 330.476 2.318 20 30 EEEDLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180470126 800443702 /nfs/dbraw/zinc/44/37/02/800443702.db2.gz JVOOSYOMDCTODA-UHFFFAOYSA-N 2 2 338.455 2.201 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004462069 802134853 /nfs/dbraw/zinc/13/48/53/802134853.db2.gz CTDXTXKCVNKAJH-NUJGCVRESA-N 2 2 328.460 2.402 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004462069 802134857 /nfs/dbraw/zinc/13/48/57/802134857.db2.gz CTDXTXKCVNKAJH-NUJGCVRESA-N 2 2 328.460 2.402 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004462069 802134860 /nfs/dbraw/zinc/13/48/60/802134860.db2.gz CTDXTXKCVNKAJH-NUJGCVRESA-N 2 2 328.460 2.402 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004462069 802134865 /nfs/dbraw/zinc/13/48/65/802134865.db2.gz CTDXTXKCVNKAJH-NUJGCVRESA-N 2 2 328.460 2.402 20 30 EEEDLP CC(C)[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004592900 802442199 /nfs/dbraw/zinc/44/21/99/802442199.db2.gz PRQAPRGCNRBVEW-LJQANCHMSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004592900 802442204 /nfs/dbraw/zinc/44/22/04/802442204.db2.gz PRQAPRGCNRBVEW-LJQANCHMSA-N 2 2 346.519 2.333 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001169136633 803629378 /nfs/dbraw/zinc/62/93/78/803629378.db2.gz MODSJOZMVITOEU-FGTMMUONSA-N 2 2 329.444 2.325 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001169136633 803629382 /nfs/dbraw/zinc/62/93/82/803629382.db2.gz MODSJOZMVITOEU-FGTMMUONSA-N 2 2 329.444 2.325 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108835750 804579542 /nfs/dbraw/zinc/57/95/42/804579542.db2.gz APEKSWRSUSKEOV-XHSDSOJGSA-N 2 2 336.867 2.385 20 30 EEEDLP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001444386175 1098973158 /nfs/dbraw/zinc/97/31/58/1098973158.db2.gz YPCTUSVZMYEIGY-WCQYABFASA-N 2 2 343.269 2.085 20 30 EEEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017747 218185926 /nfs/dbraw/zinc/18/59/26/218185926.db2.gz XRYTVVXKRADVQE-IBGZPJMESA-N 2 2 328.456 2.243 20 30 EEEDLP C#CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017747 218185928 /nfs/dbraw/zinc/18/59/28/218185928.db2.gz XRYTVVXKRADVQE-IBGZPJMESA-N 2 2 328.456 2.243 20 30 EEEDLP N#Cc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C(N)=O)cc1 ZINC000115596668 152032114 /nfs/dbraw/zinc/03/21/14/152032114.db2.gz AHPITQXLIWECJY-HXUWFJFHSA-N 2 2 348.450 2.470 20 30 EEEDLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)C1 ZINC000424139541 278343214 /nfs/dbraw/zinc/34/32/14/278343214.db2.gz RHDAVIRXLITYNH-JSGCOSHPSA-N 2 2 335.477 2.335 20 30 EEEDLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)C1 ZINC000424139541 278343216 /nfs/dbraw/zinc/34/32/16/278343216.db2.gz RHDAVIRXLITYNH-JSGCOSHPSA-N 2 2 335.477 2.335 20 30 EEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797493 465131421 /nfs/dbraw/zinc/13/14/21/465131421.db2.gz VUMJWBNKKVQBHV-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797493 465131423 /nfs/dbraw/zinc/13/14/23/465131423.db2.gz VUMJWBNKKVQBHV-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797493 465131431 /nfs/dbraw/zinc/13/14/31/465131431.db2.gz VUMJWBNKKVQBHV-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797493 465131480 /nfs/dbraw/zinc/13/14/80/465131480.db2.gz VUMJWBNKKVQBHV-UYAOXDASSA-N 2 2 338.455 2.081 20 30 EEEDLP CN(C(=O)[C@]1(C#N)CC12CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590636547 468293913 /nfs/dbraw/zinc/29/39/13/468293913.db2.gz WIUHZWSQEVGIKJ-YLJYHZDGSA-N 2 2 344.503 2.087 20 30 EEEDLP CN(C(=O)[C@]1(C#N)CC12CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590636547 468293920 /nfs/dbraw/zinc/29/39/20/468293920.db2.gz WIUHZWSQEVGIKJ-YLJYHZDGSA-N 2 2 344.503 2.087 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000590690105 468307818 /nfs/dbraw/zinc/30/78/18/468307818.db2.gz VPQRQRRIWCLULF-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000590690105 468307821 /nfs/dbraw/zinc/30/78/21/468307821.db2.gz VPQRQRRIWCLULF-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154730075 462802361 /nfs/dbraw/zinc/80/23/61/462802361.db2.gz OBJJESBZFPFFIC-ROUUACIJSA-N 2 2 334.508 2.191 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154730075 462802363 /nfs/dbraw/zinc/80/23/63/462802363.db2.gz OBJJESBZFPFFIC-ROUUACIJSA-N 2 2 334.508 2.191 20 30 EEEDLP C[N@H+](CCCO)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156408832 463020519 /nfs/dbraw/zinc/02/05/19/463020519.db2.gz MVWGGYUVKPVOOG-UHFFFAOYSA-N 2 2 331.460 2.106 20 30 EEEDLP C[N@@H+](CCCO)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156408832 463020524 /nfs/dbraw/zinc/02/05/24/463020524.db2.gz MVWGGYUVKPVOOG-UHFFFAOYSA-N 2 2 331.460 2.106 20 30 EEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc(OC)c(OC)c1 ZINC000261768566 463854080 /nfs/dbraw/zinc/85/40/80/463854080.db2.gz NUKYUGUWSQOEQD-UHFFFAOYSA-N 2 2 343.431 2.424 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397150 463914420 /nfs/dbraw/zinc/91/44/20/463914420.db2.gz ZGDHVHQUAPTVJN-WMZOPIPTSA-N 2 2 326.444 2.080 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397150 463914429 /nfs/dbraw/zinc/91/44/29/463914429.db2.gz ZGDHVHQUAPTVJN-WMZOPIPTSA-N 2 2 326.444 2.080 20 30 EEEDLP C=CCc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc(OC)c1O ZINC000269352924 463962288 /nfs/dbraw/zinc/96/22/88/463962288.db2.gz KZXCEEYWTJPTKV-UHFFFAOYSA-N 2 2 334.460 2.018 20 30 EEEDLP C=CCc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc(OC)c1O ZINC000269352924 463962290 /nfs/dbraw/zinc/96/22/90/463962290.db2.gz KZXCEEYWTJPTKV-UHFFFAOYSA-N 2 2 334.460 2.018 20 30 EEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000278512726 463968111 /nfs/dbraw/zinc/96/81/11/463968111.db2.gz BPIBOONYCPGUEQ-LJQANCHMSA-N 2 2 344.459 2.288 20 30 EEEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H](COC)C1 ZINC000262448529 464025982 /nfs/dbraw/zinc/02/59/82/464025982.db2.gz JJJLWTAYFMTZPP-OAHLLOKOSA-N 2 2 345.422 2.055 20 30 EEEDLP C#Cc1ccc(C[NH+]2CCC([NH+](CCOC)CCOC)CC2)cc1 ZINC000289260143 464071751 /nfs/dbraw/zinc/07/17/51/464071751.db2.gz FPMABRBIZKEVTL-UHFFFAOYSA-N 2 2 330.472 2.227 20 30 EEEDLP CCc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000264100369 464283291 /nfs/dbraw/zinc/28/32/91/464283291.db2.gz MSOLKUVMXURDRO-GOSISDBHSA-N 2 2 331.508 2.248 20 30 EEEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445681 464482452 /nfs/dbraw/zinc/48/24/52/464482452.db2.gz ZDAROFSRUNXCJU-IAGOWNOFSA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445681 464482458 /nfs/dbraw/zinc/48/24/58/464482458.db2.gz ZDAROFSRUNXCJU-IAGOWNOFSA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445681 464482462 /nfs/dbraw/zinc/48/24/62/464482462.db2.gz ZDAROFSRUNXCJU-IAGOWNOFSA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445681 464482470 /nfs/dbraw/zinc/48/24/70/464482470.db2.gz ZDAROFSRUNXCJU-IAGOWNOFSA-N 2 2 334.508 2.381 20 30 EEEDLP N#C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000274203550 464737746 /nfs/dbraw/zinc/73/77/46/464737746.db2.gz LNIHODBJPBMHBR-ROUUACIJSA-N 3 2 327.476 2.266 20 30 EEEDLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000339543149 465334042 /nfs/dbraw/zinc/33/40/42/465334042.db2.gz IRUVMTVJKVBREJ-OAQYLSRUSA-N 2 2 335.451 2.376 20 30 EEEDLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000339543149 465334049 /nfs/dbraw/zinc/33/40/49/465334049.db2.gz IRUVMTVJKVBREJ-OAQYLSRUSA-N 2 2 335.451 2.376 20 30 EEEDLP CCC[NH+]1CCC(CNC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329891101 465463519 /nfs/dbraw/zinc/46/35/19/465463519.db2.gz HISGVHNRFAJCLC-INIZCTEOSA-N 2 2 333.480 2.071 20 30 EEEDLP CCC[NH+]1CCC(C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329891101 465463526 /nfs/dbraw/zinc/46/35/26/465463526.db2.gz HISGVHNRFAJCLC-INIZCTEOSA-N 2 2 333.480 2.071 20 30 EEEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000591571031 468484973 /nfs/dbraw/zinc/48/49/73/468484973.db2.gz WQXAYWILVXGQRL-PVAVHDDUSA-N 2 2 346.450 2.023 20 30 EEEDLP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149835 466777738 /nfs/dbraw/zinc/77/77/38/466777738.db2.gz PXQKWTZWJCSUDP-YLJYHZDGSA-N 2 2 329.463 2.135 20 30 EEEDLP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149835 466777744 /nfs/dbraw/zinc/77/77/44/466777744.db2.gz PXQKWTZWJCSUDP-YLJYHZDGSA-N 2 2 329.463 2.135 20 30 EEEDLP COc1ccc([C@H](CNc2cc(C)[nH+]cc2C#N)[NH+](C)C)cc1OC ZINC000425199164 467088174 /nfs/dbraw/zinc/08/81/74/467088174.db2.gz HFRZUBQBGXCEJM-KRWDZBQOSA-N 2 2 340.427 2.416 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334449 467976772 /nfs/dbraw/zinc/97/67/72/467976772.db2.gz VJNWIRZIJHYYQY-QZTJIDSGSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334449 467976774 /nfs/dbraw/zinc/97/67/74/467976774.db2.gz VJNWIRZIJHYYQY-QZTJIDSGSA-N 2 2 346.519 2.381 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000577275144 468181462 /nfs/dbraw/zinc/18/14/62/468181462.db2.gz LUTJDPSKEIVUKE-GUDVDZBRSA-N 2 2 330.472 2.371 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000577275144 468181471 /nfs/dbraw/zinc/18/14/71/468181471.db2.gz LUTJDPSKEIVUKE-GUDVDZBRSA-N 2 2 330.472 2.371 20 30 EEEDLP N#Cc1ccc(Br)c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000570981715 468723271 /nfs/dbraw/zinc/72/32/71/468723271.db2.gz VEKOINOTCYLJGS-UHFFFAOYSA-N 2 2 346.232 2.366 20 30 EEEDLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615350 468934038 /nfs/dbraw/zinc/93/40/38/468934038.db2.gz XBOHKXVXAVHGFL-MSOLQXFVSA-N 2 2 330.476 2.136 20 30 EEEDLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615350 468934042 /nfs/dbraw/zinc/93/40/42/468934042.db2.gz XBOHKXVXAVHGFL-MSOLQXFVSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615350 468934048 /nfs/dbraw/zinc/93/40/48/468934048.db2.gz XBOHKXVXAVHGFL-MSOLQXFVSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615350 468934054 /nfs/dbraw/zinc/93/40/54/468934054.db2.gz XBOHKXVXAVHGFL-MSOLQXFVSA-N 2 2 330.476 2.136 20 30 EEEDLP CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000593558377 469034162 /nfs/dbraw/zinc/03/41/62/469034162.db2.gz UYAXRIQBINMHMC-KBAYOESNSA-N 2 2 334.508 2.332 20 30 EEEDLP CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000593558377 469034170 /nfs/dbraw/zinc/03/41/70/469034170.db2.gz UYAXRIQBINMHMC-KBAYOESNSA-N 2 2 334.508 2.332 20 30 EEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553282 469277137 /nfs/dbraw/zinc/27/71/37/469277137.db2.gz VVDIPBSFLHHBTN-RBUKOAKNSA-N 2 2 330.451 2.492 20 30 EEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553282 469277142 /nfs/dbraw/zinc/27/71/42/469277142.db2.gz VVDIPBSFLHHBTN-RBUKOAKNSA-N 2 2 330.451 2.492 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655966830 471559636 /nfs/dbraw/zinc/55/96/36/471559636.db2.gz NSWTYMFOYNSKLA-QGZVFWFLSA-N 2 2 336.524 2.399 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655966830 471559640 /nfs/dbraw/zinc/55/96/40/471559640.db2.gz NSWTYMFOYNSKLA-QGZVFWFLSA-N 2 2 336.524 2.399 20 30 EEEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591736365 485595178 /nfs/dbraw/zinc/59/51/78/485595178.db2.gz IWFPQHBSRNZWAR-UXHICEINSA-N 2 2 344.503 2.010 20 30 EEEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591736365 485595182 /nfs/dbraw/zinc/59/51/82/485595182.db2.gz IWFPQHBSRNZWAR-UXHICEINSA-N 2 2 344.503 2.010 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001022505623 677804748 /nfs/dbraw/zinc/80/47/48/677804748.db2.gz HFGXGZYUYCXQSM-GASCZTMLSA-N 2 2 330.819 2.475 20 30 EEEDLP C[NH+]=C(NC[C@H](OC)C(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019185 682869158 /nfs/dbraw/zinc/86/91/58/682869158.db2.gz YKWSHQNFHNKHFG-XHSDSOJGSA-N 2 2 335.496 2.403 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)CC1 ZINC000899504967 693764903 /nfs/dbraw/zinc/76/49/03/693764903.db2.gz CQIKKMXKAKVQHQ-UHFFFAOYSA-N 2 2 328.460 2.078 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)s1 ZINC001026568555 684751139 /nfs/dbraw/zinc/75/11/39/684751139.db2.gz MIUTXFBTKNEDPB-UHFFFAOYSA-N 2 2 343.456 2.103 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986567318 688721129 /nfs/dbraw/zinc/72/11/29/688721129.db2.gz AQDVJLXMQNNPAS-UONOGXRCSA-N 2 2 336.867 2.093 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000987343543 689630315 /nfs/dbraw/zinc/63/03/15/689630315.db2.gz WPNSLNAJSVALPF-GOEBONIOSA-N 2 2 325.416 2.036 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001480951878 1179125925 /nfs/dbraw/zinc/12/59/25/1179125925.db2.gz PVRWRDJXDUVVNU-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001480951878 1179125929 /nfs/dbraw/zinc/12/59/29/1179125929.db2.gz PVRWRDJXDUVVNU-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001480951878 1179125932 /nfs/dbraw/zinc/12/59/32/1179125932.db2.gz PVRWRDJXDUVVNU-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001480951878 1179125935 /nfs/dbraw/zinc/12/59/35/1179125935.db2.gz PVRWRDJXDUVVNU-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@@H]1C ZINC001088631016 1188019432 /nfs/dbraw/zinc/01/94/32/1188019432.db2.gz NKGVDUYRKYGRFV-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@@H]1C ZINC001088631016 1188019438 /nfs/dbraw/zinc/01/94/38/1188019438.db2.gz NKGVDUYRKYGRFV-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)cc2)[C@@H]1C ZINC001088631016 1188019441 /nfs/dbraw/zinc/01/94/41/1188019441.db2.gz NKGVDUYRKYGRFV-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)cc2)[C@@H]1C ZINC001088631016 1188019447 /nfs/dbraw/zinc/01/94/47/1188019447.db2.gz NKGVDUYRKYGRFV-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076397274 1188891300 /nfs/dbraw/zinc/89/13/00/1188891300.db2.gz DNTPZMUJTIPUQD-JKSUJKDBSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033569752 1194721359 /nfs/dbraw/zinc/72/13/59/1194721359.db2.gz BCSOPRHDUSITBI-KRWDZBQOSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033569752 1194721361 /nfs/dbraw/zinc/72/13/61/1194721361.db2.gz BCSOPRHDUSITBI-KRWDZBQOSA-N 2 2 339.911 2.394 20 30 EEEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369569 1199527721 /nfs/dbraw/zinc/52/77/21/1199527721.db2.gz OHZHQKGTZILLTM-LSDHHAIUSA-N 2 2 344.459 2.332 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132440990 1199724327 /nfs/dbraw/zinc/72/43/27/1199724327.db2.gz IRGFTIXQAKJNBW-LSDHHAIUSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132440990 1199724334 /nfs/dbraw/zinc/72/43/34/1199724334.db2.gz IRGFTIXQAKJNBW-LSDHHAIUSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132440990 1199724338 /nfs/dbraw/zinc/72/43/38/1199724338.db2.gz IRGFTIXQAKJNBW-LSDHHAIUSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132440990 1199724342 /nfs/dbraw/zinc/72/43/42/1199724342.db2.gz IRGFTIXQAKJNBW-LSDHHAIUSA-N 2 2 348.516 2.431 20 30 EEEDLP 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C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053045322 1245758281 /nfs/dbraw/zinc/75/82/81/1245758281.db2.gz ZMLKGYXFXJMQML-DLBZAZTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053045322 1245758285 /nfs/dbraw/zinc/75/82/85/1245758285.db2.gz ZMLKGYXFXJMQML-DLBZAZTESA-N 2 2 330.476 2.479 20 30 EEEDLP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001101548666 1245952908 /nfs/dbraw/zinc/95/29/08/1245952908.db2.gz BVNBJGDXFCMFKU-IAGOWNOFSA-N 2 2 342.487 2.391 20 30 EEEDLP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001101548666 1245952911 /nfs/dbraw/zinc/95/29/11/1245952911.db2.gz BVNBJGDXFCMFKU-IAGOWNOFSA-N 2 2 342.487 2.391 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C(F)(F)F ZINC001099269091 1258052312 /nfs/dbraw/zinc/05/23/12/1258052312.db2.gz XAGYRKBWRBYOPA-CHWSQXEVSA-N 2 2 344.381 2.092 20 30 EEEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001026495179 1276900454 /nfs/dbraw/zinc/90/04/54/1276900454.db2.gz FIIYYKNKJGLZIQ-AQEOSJORSA-N 2 2 342.487 2.357 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001191931060 1281709774 /nfs/dbraw/zinc/70/97/74/1281709774.db2.gz PEANVYMOQFKREK-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001191931060 1281709781 /nfs/dbraw/zinc/70/97/81/1281709781.db2.gz PEANVYMOQFKREK-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001191931060 1281709789 /nfs/dbraw/zinc/70/97/89/1281709789.db2.gz PEANVYMOQFKREK-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001191931060 1281709797 /nfs/dbraw/zinc/70/97/97/1281709797.db2.gz PEANVYMOQFKREK-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196970373 1284362278 /nfs/dbraw/zinc/36/22/78/1284362278.db2.gz ANOJSAIWZROSIT-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP C[NH+](C)CCCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196970373 1284362288 /nfs/dbraw/zinc/36/22/88/1284362288.db2.gz ANOJSAIWZROSIT-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885528 1285410959 /nfs/dbraw/zinc/41/09/59/1285410959.db2.gz KKDNSNFCXDYTSM-OAHLLOKOSA-N 2 2 339.867 2.146 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201300781 1289447867 /nfs/dbraw/zinc/44/78/67/1289447867.db2.gz FDMRNYALUSVKQI-CVEARBPZSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001110740880 1294029435 /nfs/dbraw/zinc/02/94/35/1294029435.db2.gz HULINDVUVPWLCR-HZMVEIRTSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001110740880 1294029447 /nfs/dbraw/zinc/02/94/47/1294029447.db2.gz HULINDVUVPWLCR-HZMVEIRTSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C[C@H](C)O2 ZINC001098646471 1298664706 /nfs/dbraw/zinc/66/47/06/1298664706.db2.gz MZCPUMNNRBLNNZ-SJORKVTESA-N 2 2 346.475 2.102 20 30 EEEDLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)n1cc[nH+]c1 ZINC001490931971 1299588918 /nfs/dbraw/zinc/58/89/18/1299588918.db2.gz AUMOIDJXQBTUJV-ZTFGCOKTSA-N 2 2 337.427 2.143 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223174475 1299998646 /nfs/dbraw/zinc/99/86/46/1299998646.db2.gz JVDHDQZJGJBPAK-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223174475 1299998649 /nfs/dbraw/zinc/99/86/49/1299998649.db2.gz JVDHDQZJGJBPAK-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001223645105 1300207828 /nfs/dbraw/zinc/20/78/28/1300207828.db2.gz CNXDCUXEIRTJNG-KRWDZBQOSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105625 1300316443 /nfs/dbraw/zinc/31/64/43/1300316443.db2.gz XUGIQDLMFFVIHE-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105625 1300316457 /nfs/dbraw/zinc/31/64/57/1300316457.db2.gz XUGIQDLMFFVIHE-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)s1 ZINC001227100156 1301688225 /nfs/dbraw/zinc/68/82/25/1301688225.db2.gz SHDSRLTYOZAEBD-UHFFFAOYSA-N 2 2 343.456 2.056 20 30 EEEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228528293 1302303075 /nfs/dbraw/zinc/30/30/75/1302303075.db2.gz ARHKRXVSUCZUEA-BZUAXINKSA-N 2 2 346.475 2.049 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159758 1302353456 /nfs/dbraw/zinc/35/34/56/1302353456.db2.gz YFBAJQWPOJGNBE-FGTMMUONSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159758 1302353468 /nfs/dbraw/zinc/35/34/68/1302353468.db2.gz YFBAJQWPOJGNBE-FGTMMUONSA-N 2 2 344.503 2.486 20 30 EEEDLP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+](CC)CC ZINC001230598671 1303307137 /nfs/dbraw/zinc/30/71/37/1303307137.db2.gz WPZUODQIKSYBFV-ZWKOTPCHSA-N 2 2 334.508 2.333 20 30 EEEDLP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+](CC)CC ZINC001230598671 1303307142 /nfs/dbraw/zinc/30/71/42/1303307142.db2.gz WPZUODQIKSYBFV-ZWKOTPCHSA-N 2 2 334.508 2.333 20 30 EEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001153477371 1316834508 /nfs/dbraw/zinc/83/45/08/1316834508.db2.gz KKGDRTLNOJZOOF-RHSMWYFYSA-N 2 2 333.480 2.193 20 30 EEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001153477371 1316834511 /nfs/dbraw/zinc/83/45/11/1316834511.db2.gz KKGDRTLNOJZOOF-RHSMWYFYSA-N 2 2 333.480 2.193 20 30 EEEDLP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001153477371 1316834513 /nfs/dbraw/zinc/83/45/13/1316834513.db2.gz KKGDRTLNOJZOOF-RHSMWYFYSA-N 2 2 333.480 2.193 20 30 EEEDLP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001153477371 1316834516 /nfs/dbraw/zinc/83/45/16/1316834516.db2.gz KKGDRTLNOJZOOF-RHSMWYFYSA-N 2 2 333.480 2.193 20 30 EEEDLP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001252490653 1317616032 /nfs/dbraw/zinc/61/60/32/1317616032.db2.gz KGKQWIBKOODSFE-LJQANCHMSA-N 2 2 336.451 2.252 20 30 EEEDLP Cc1ccc([C@H](C#N)c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)nn2)cc1 ZINC001157915158 1318928248 /nfs/dbraw/zinc/92/82/48/1318928248.db2.gz RXIHDJOFXZEERW-INIZCTEOSA-N 2 2 349.442 2.035 20 30 EEEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158172003 1319055629 /nfs/dbraw/zinc/05/56/29/1319055629.db2.gz TXNFNTKVWBPRJZ-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158172003 1319055636 /nfs/dbraw/zinc/05/56/36/1319055636.db2.gz TXNFNTKVWBPRJZ-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP N#Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)cc1Cl ZINC001158269273 1319127352 /nfs/dbraw/zinc/12/73/52/1319127352.db2.gz PLPFHEHUOFZNRO-JTQLQIEISA-N 2 2 340.258 2.262 20 30 EEEDLP N#Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)cc1Cl ZINC001158269273 1319127353 /nfs/dbraw/zinc/12/73/53/1319127353.db2.gz PLPFHEHUOFZNRO-JTQLQIEISA-N 2 2 340.258 2.262 20 30 EEEDLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001163588204 1321164267 /nfs/dbraw/zinc/16/42/67/1321164267.db2.gz DMTSGIUMXLLLSZ-UHFFFAOYSA-N 2 2 344.846 2.074 20 30 EEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849031 1321597908 /nfs/dbraw/zinc/59/79/08/1321597908.db2.gz OCHYHWHDCUSHAS-MRXNPFEDSA-N 2 2 330.476 2.288 20 30 EEEDLP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043079 1367996295 /nfs/dbraw/zinc/99/62/95/1367996295.db2.gz GIUYNTKSFVLXGE-ZBFHGGJFSA-N 2 2 331.460 2.143 20 30 EEEDLP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001101559063 1371018602 /nfs/dbraw/zinc/01/86/02/1371018602.db2.gz RMPLCEGMCQZTPO-UHFFFAOYSA-N 2 2 344.503 2.230 20 30 EEEDLP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001377837467 1379540107 /nfs/dbraw/zinc/54/01/07/1379540107.db2.gz IPNCRKDGPGJISO-AWEZNQCLSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001377837467 1379540123 /nfs/dbraw/zinc/54/01/23/1379540123.db2.gz IPNCRKDGPGJISO-AWEZNQCLSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001377837467 1379540130 /nfs/dbraw/zinc/54/01/30/1379540130.db2.gz IPNCRKDGPGJISO-AWEZNQCLSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001377837467 1379540138 /nfs/dbraw/zinc/54/01/38/1379540138.db2.gz IPNCRKDGPGJISO-AWEZNQCLSA-N 2 2 346.500 2.185 20 30 EEEDLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001390818820 1388798298 /nfs/dbraw/zinc/79/82/98/1388798298.db2.gz SSYFUWSGQNSIQW-UHFFFAOYSA-N 2 2 345.472 2.188 20 30 EEEDLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001390818820 1388798301 /nfs/dbraw/zinc/79/83/01/1388798301.db2.gz SSYFUWSGQNSIQW-UHFFFAOYSA-N 2 2 345.472 2.188 20 30 EEEDLP C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)c(C#N)c1)n1cc[nH+]c1 ZINC001390821408 1388799944 /nfs/dbraw/zinc/79/99/44/1388799944.db2.gz AXYFAKCNYKUWCE-CQSZACIVSA-N 2 2 343.406 2.093 20 30 EEEDLP C[C@H](CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)n1cc[nH+]c1 ZINC001390821408 1388799948 /nfs/dbraw/zinc/79/99/48/1388799948.db2.gz AXYFAKCNYKUWCE-CQSZACIVSA-N 2 2 343.406 2.093 20 30 EEEDLP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401290316 1397124175 /nfs/dbraw/zinc/12/41/75/1397124175.db2.gz WXNWDZUKAKPTRP-QGZVFWFLSA-N 2 2 339.443 2.145 20 30 EEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001574851173 1403526324 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XBXLCCKFRUTTHE-KBMXLJTQSA-N 2 2 336.867 2.241 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC000979731536 770977827 /nfs/dbraw/zinc/97/78/27/770977827.db2.gz PWYYDLXBRZFVSC-BBWFWOEESA-N 2 2 342.487 2.165 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC000979731536 770977832 /nfs/dbraw/zinc/97/78/32/770977832.db2.gz PWYYDLXBRZFVSC-BBWFWOEESA-N 2 2 342.487 2.165 20 30 EEEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089619991 773548115 /nfs/dbraw/zinc/54/81/15/773548115.db2.gz ZLNAWMZQPMCOGD-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089619991 773548119 /nfs/dbraw/zinc/54/81/19/773548119.db2.gz ZLNAWMZQPMCOGD-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089619991 773548122 /nfs/dbraw/zinc/54/81/22/773548122.db2.gz ZLNAWMZQPMCOGD-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089619991 773548125 /nfs/dbraw/zinc/54/81/25/773548125.db2.gz ZLNAWMZQPMCOGD-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979988900 773668038 /nfs/dbraw/zinc/66/80/38/773668038.db2.gz PLPKRURPVZJADS-YESZJQIVSA-N 2 2 330.476 2.329 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979988900 773668040 /nfs/dbraw/zinc/66/80/40/773668040.db2.gz PLPKRURPVZJADS-YESZJQIVSA-N 2 2 330.476 2.329 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027888556 774056275 /nfs/dbraw/zinc/05/62/75/774056275.db2.gz SYMVKGXCKNFEBK-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027888556 774056281 /nfs/dbraw/zinc/05/62/81/774056281.db2.gz SYMVKGXCKNFEBK-FGTMMUONSA-N 2 2 342.487 2.311 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776242 783147132 /nfs/dbraw/zinc/14/71/32/783147132.db2.gz INOQHPDWTSUSHP-BBWFWOEESA-N 2 2 340.471 2.023 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776242 783147141 /nfs/dbraw/zinc/14/71/41/783147141.db2.gz INOQHPDWTSUSHP-BBWFWOEESA-N 2 2 340.471 2.023 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821480 776983457 /nfs/dbraw/zinc/98/34/57/776983457.db2.gz UFCHHNLRCPSIRS-SVGFKBNWSA-N 2 2 348.878 2.264 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821480 776983462 /nfs/dbraw/zinc/98/34/62/776983462.db2.gz UFCHHNLRCPSIRS-SVGFKBNWSA-N 2 2 348.878 2.264 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981454497 777441374 /nfs/dbraw/zinc/44/13/74/777441374.db2.gz SANKMUJYACKLKC-HZPDHXFCSA-N 2 2 339.443 2.474 20 30 EEEDLP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC000981976512 778734528 /nfs/dbraw/zinc/73/45/28/778734528.db2.gz OACQOYSQEVYFOQ-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC000981976512 778734532 /nfs/dbraw/zinc/73/45/32/778734532.db2.gz OACQOYSQEVYFOQ-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000982164488 779185141 /nfs/dbraw/zinc/18/51/41/779185141.db2.gz OVJBGPADANPNTM-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000982164488 779185145 /nfs/dbraw/zinc/18/51/45/779185145.db2.gz OVJBGPADANPNTM-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469623 781317972 /nfs/dbraw/zinc/31/79/72/781317972.db2.gz NLGMPRNUERDPSM-QZTJIDSGSA-N 2 2 342.418 2.183 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469623 781317980 /nfs/dbraw/zinc/31/79/80/781317980.db2.gz NLGMPRNUERDPSM-QZTJIDSGSA-N 2 2 342.418 2.183 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296639 783406907 /nfs/dbraw/zinc/40/69/07/783406907.db2.gz WSDHPADNTBXXDW-HZPDHXFCSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296639 783406911 /nfs/dbraw/zinc/40/69/11/783406911.db2.gz WSDHPADNTBXXDW-HZPDHXFCSA-N 2 2 325.884 2.146 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803885 783482395 /nfs/dbraw/zinc/48/23/95/783482395.db2.gz ZPMQJCYGIICMEE-OKZBNKHCSA-N 2 2 328.460 2.028 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803885 783482397 /nfs/dbraw/zinc/48/23/97/783482397.db2.gz ZPMQJCYGIICMEE-OKZBNKHCSA-N 2 2 328.460 2.028 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386413 787095109 /nfs/dbraw/zinc/09/51/09/787095109.db2.gz QPGMDNAWARKVCX-RHSMWYFYSA-N 2 2 336.867 2.456 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386413 787095112 /nfs/dbraw/zinc/09/51/12/787095112.db2.gz QPGMDNAWARKVCX-RHSMWYFYSA-N 2 2 336.867 2.456 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449312 787265616 /nfs/dbraw/zinc/26/56/16/787265616.db2.gz DOTLGVHGGULGMM-YLJYHZDGSA-N 2 2 342.487 2.311 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449312 787265620 /nfs/dbraw/zinc/26/56/20/787265620.db2.gz DOTLGVHGGULGMM-YLJYHZDGSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001089898540 788678536 /nfs/dbraw/zinc/67/85/36/788678536.db2.gz YDXORJIFCKSVDZ-JKQORVJESA-N 2 2 348.878 2.182 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001089898540 788678542 /nfs/dbraw/zinc/67/85/42/788678542.db2.gz YDXORJIFCKSVDZ-JKQORVJESA-N 2 2 348.878 2.182 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000923282858 789295871 /nfs/dbraw/zinc/29/58/71/789295871.db2.gz UVJGOYWGXZNNAA-KBAYOESNSA-N 2 2 348.487 2.365 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000923282858 789295879 /nfs/dbraw/zinc/29/58/79/789295879.db2.gz UVJGOYWGXZNNAA-KBAYOESNSA-N 2 2 348.487 2.365 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c(OC)c1 ZINC000923288344 789316409 /nfs/dbraw/zinc/31/64/09/789316409.db2.gz IYGATRJCVMKYID-JQHSSLGASA-N 2 2 348.487 2.223 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c(OC)c1 ZINC000923288344 789316418 /nfs/dbraw/zinc/31/64/18/789316418.db2.gz IYGATRJCVMKYID-JQHSSLGASA-N 2 2 348.487 2.223 20 30 EEEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997185222 789378212 /nfs/dbraw/zinc/37/82/12/789378212.db2.gz ZLJIJNFCYRJFRU-PBHICJAKSA-N 2 2 342.487 2.063 20 30 EEEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997185222 789378220 /nfs/dbraw/zinc/37/82/20/789378220.db2.gz ZLJIJNFCYRJFRU-PBHICJAKSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998039314 791874180 /nfs/dbraw/zinc/87/41/80/791874180.db2.gz FJVMARDGTIHJKO-BRWVUGGUSA-N 2 2 328.460 2.240 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998039314 791874186 /nfs/dbraw/zinc/87/41/86/791874186.db2.gz FJVMARDGTIHJKO-BRWVUGGUSA-N 2 2 328.460 2.240 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998039314 791874190 /nfs/dbraw/zinc/87/41/90/791874190.db2.gz FJVMARDGTIHJKO-BRWVUGGUSA-N 2 2 328.460 2.240 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998039314 791874195 /nfs/dbraw/zinc/87/41/95/791874195.db2.gz FJVMARDGTIHJKO-BRWVUGGUSA-N 2 2 328.460 2.240 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001086942131 793034245 /nfs/dbraw/zinc/03/42/45/793034245.db2.gz JRDBAZLATQGKKG-JKSUJKDBSA-N 2 2 340.471 2.166 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026519 793513724 /nfs/dbraw/zinc/51/37/24/793513724.db2.gz PVGRQBNSWSTPFD-VIPLHTEESA-N 2 2 342.487 2.270 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026519 793513727 /nfs/dbraw/zinc/51/37/27/793513727.db2.gz PVGRQBNSWSTPFD-VIPLHTEESA-N 2 2 342.487 2.270 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092621247 794190693 /nfs/dbraw/zinc/19/06/93/794190693.db2.gz XJMJWLKQSDGXQU-IIDMSEBBSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092621247 794190700 /nfs/dbraw/zinc/19/07/00/794190700.db2.gz XJMJWLKQSDGXQU-IIDMSEBBSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092621247 794190707 /nfs/dbraw/zinc/19/07/07/794190707.db2.gz XJMJWLKQSDGXQU-IIDMSEBBSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092621247 794190713 /nfs/dbraw/zinc/19/07/13/794190713.db2.gz XJMJWLKQSDGXQU-IIDMSEBBSA-N 2 2 345.491 2.050 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001079720014 795134059 /nfs/dbraw/zinc/13/40/59/795134059.db2.gz PCORNPIJDKPYKQ-BRSBDYLESA-N 2 2 342.487 2.167 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001079720014 795134061 /nfs/dbraw/zinc/13/40/61/795134061.db2.gz PCORNPIJDKPYKQ-BRSBDYLESA-N 2 2 342.487 2.167 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017698 795488332 /nfs/dbraw/zinc/48/83/32/795488332.db2.gz SMGRLIGTYMIJAP-BMFZPTHFSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080017698 795488335 /nfs/dbraw/zinc/48/83/35/795488335.db2.gz SMGRLIGTYMIJAP-BMFZPTHFSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017698 795488341 /nfs/dbraw/zinc/48/83/41/795488341.db2.gz SMGRLIGTYMIJAP-BMFZPTHFSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017698 795488348 /nfs/dbraw/zinc/48/83/48/795488348.db2.gz SMGRLIGTYMIJAP-BMFZPTHFSA-N 2 2 327.900 2.296 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001108010044 795501738 /nfs/dbraw/zinc/50/17/38/795501738.db2.gz LOONKSFJBHHXOO-MJGOQNOKSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001108010044 795501745 /nfs/dbraw/zinc/50/17/45/795501745.db2.gz LOONKSFJBHHXOO-MJGOQNOKSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419515 795547358 /nfs/dbraw/zinc/54/73/58/795547358.db2.gz OKEYXDIUQCQMPE-TZMCWYRMSA-N 2 2 332.835 2.385 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC001078632633 796754529 /nfs/dbraw/zinc/75/45/29/796754529.db2.gz RCSOBQPISWHDSH-DLBZAZTESA-N 2 2 342.487 2.355 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761880 796986156 /nfs/dbraw/zinc/98/61/56/796986156.db2.gz RUGNFNIFBPAWJI-IAGOWNOFSA-N 2 2 349.438 2.041 20 30 EEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967110 797173642 /nfs/dbraw/zinc/17/36/42/797173642.db2.gz GJIPMVOFEJHOBH-PMPSAXMXSA-N 2 2 336.480 2.352 20 30 EEEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967110 797173644 /nfs/dbraw/zinc/17/36/44/797173644.db2.gz GJIPMVOFEJHOBH-PMPSAXMXSA-N 2 2 336.480 2.352 20 30 EEEDLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082572480 797589525 /nfs/dbraw/zinc/58/95/25/797589525.db2.gz FCBOLEWACAJOQO-VVHMCBODSA-N 2 2 349.438 2.022 20 30 EEEDLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082572480 797589528 /nfs/dbraw/zinc/58/95/28/797589528.db2.gz FCBOLEWACAJOQO-VVHMCBODSA-N 2 2 349.438 2.022 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001178536140 799512895 /nfs/dbraw/zinc/51/28/95/799512895.db2.gz QHMQZDPKCNIYMS-SFHVURJKSA-N 2 2 345.491 2.080 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001178536140 799512900 /nfs/dbraw/zinc/51/29/00/799512900.db2.gz QHMQZDPKCNIYMS-SFHVURJKSA-N 2 2 345.491 2.080 20 30 EEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001179912675 800184811 /nfs/dbraw/zinc/18/48/11/800184811.db2.gz LZTOIWOJAKZLJK-HOCLYGCPSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001085350857 800391451 /nfs/dbraw/zinc/39/14/51/800391451.db2.gz BQYXAPTZIGKGDO-QZTJIDSGSA-N 2 2 349.519 2.225 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001085783111 801255698 /nfs/dbraw/zinc/25/56/98/801255698.db2.gz NBASZTONQYXKBP-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001085783111 801255704 /nfs/dbraw/zinc/25/57/04/801255704.db2.gz NBASZTONQYXKBP-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001085783111 801255709 /nfs/dbraw/zinc/25/57/09/801255709.db2.gz NBASZTONQYXKBP-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001085783111 801255714 /nfs/dbraw/zinc/25/57/14/801255714.db2.gz NBASZTONQYXKBP-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004477313 802178535 /nfs/dbraw/zinc/17/85/35/802178535.db2.gz PTMGTVFUCCCYOI-GOSISDBHSA-N 2 2 337.427 2.174 20 30 EEEDLP N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004477313 802178541 /nfs/dbraw/zinc/17/85/41/802178541.db2.gz PTMGTVFUCCCYOI-GOSISDBHSA-N 2 2 337.427 2.174 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004579430 802412388 /nfs/dbraw/zinc/41/23/88/802412388.db2.gz KPCAAIZOFPNNNJ-MRXNPFEDSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004579430 802412393 /nfs/dbraw/zinc/41/23/93/802412393.db2.gz KPCAAIZOFPNNNJ-MRXNPFEDSA-N 2 2 336.867 2.408 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004610968 802479460 /nfs/dbraw/zinc/47/94/60/802479460.db2.gz UEUYEKGBTFFJGM-LJQANCHMSA-N 2 2 342.487 2.079 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004610968 802479464 /nfs/dbraw/zinc/47/94/64/802479464.db2.gz UEUYEKGBTFFJGM-LJQANCHMSA-N 2 2 342.487 2.079 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694090 802838413 /nfs/dbraw/zinc/83/84/13/802838413.db2.gz LMLKCJQKCNQQSG-CALCHBBNSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694090 802838417 /nfs/dbraw/zinc/83/84/17/802838417.db2.gz LMLKCJQKCNQQSG-CALCHBBNSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086408906 802910087 /nfs/dbraw/zinc/91/00/87/802910087.db2.gz YZEOCDARPKAUNT-IHRRRGAJSA-N 2 2 336.867 2.060 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086408906 802910089 /nfs/dbraw/zinc/91/00/89/802910089.db2.gz YZEOCDARPKAUNT-IHRRRGAJSA-N 2 2 336.867 2.060 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001086524777 803320577 /nfs/dbraw/zinc/32/05/77/803320577.db2.gz KQBYVPKQSBWIPD-HDJSIYSDSA-N 2 2 345.834 2.118 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001113111093 808141463 /nfs/dbraw/zinc/14/14/63/808141463.db2.gz GRSHDQTYZCXGLI-MRXNPFEDSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001113529585 809149975 /nfs/dbraw/zinc/14/99/75/809149975.db2.gz WKVZLMZUMURUBJ-INIZCTEOSA-N 2 2 339.443 2.380 20 30 EEEDLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001170503020 811792761 /nfs/dbraw/zinc/79/27/61/811792761.db2.gz AAGKHCLJXLHQHI-IEBWSBKVSA-N 2 2 341.455 2.454 20 30 EEEDLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001438250910 1090734445 /nfs/dbraw/zinc/73/44/45/1090734445.db2.gz XXNNTOVGJLERIG-WMZOPIPTSA-N 2 2 346.450 2.070 20 30 EEEDLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001438250910 1090734447 /nfs/dbraw/zinc/73/44/47/1090734447.db2.gz XXNNTOVGJLERIG-WMZOPIPTSA-N 2 2 346.450 2.070 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001520325881 1119146304 /nfs/dbraw/zinc/14/63/04/1119146304.db2.gz PMGWNXCKFDKEHS-UHFFFAOYSA-N 2 2 346.523 2.371 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001520325881 1119146305 /nfs/dbraw/zinc/14/63/05/1119146305.db2.gz PMGWNXCKFDKEHS-UHFFFAOYSA-N 2 2 346.523 2.371 20 30 EEEDLP C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000173791616 530029733 /nfs/dbraw/zinc/02/97/33/530029733.db2.gz BJBUUAWWIZMZSO-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000173791616 530029734 /nfs/dbraw/zinc/02/97/34/530029734.db2.gz BJBUUAWWIZMZSO-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000173791616 530029735 /nfs/dbraw/zinc/02/97/35/530029735.db2.gz BJBUUAWWIZMZSO-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000173791616 530029736 /nfs/dbraw/zinc/02/97/36/530029736.db2.gz BJBUUAWWIZMZSO-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP N#Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(N)=O)cc1 ZINC000356863945 283187947 /nfs/dbraw/zinc/18/79/47/283187947.db2.gz NYABHILXLGPZDW-IBGZPJMESA-N 2 2 340.471 2.471 20 30 EEEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000459339427 245084641 /nfs/dbraw/zinc/08/46/41/245084641.db2.gz DAJLWOYFWGGUQC-OAHLLOKOSA-N 2 2 337.431 2.188 20 30 EEEDLP C=CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000459339427 245084645 /nfs/dbraw/zinc/08/46/45/245084645.db2.gz DAJLWOYFWGGUQC-OAHLLOKOSA-N 2 2 337.431 2.188 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000270315199 256122714 /nfs/dbraw/zinc/12/27/14/256122714.db2.gz UVLZLFKCPGIZGD-UHFFFAOYSA-N 2 2 348.454 2.492 20 30 EEEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C#N ZINC000533761306 270022773 /nfs/dbraw/zinc/02/27/73/270022773.db2.gz NTLDQQNWWVUGFE-YJBOKZPZSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C#N ZINC000533761306 270022774 /nfs/dbraw/zinc/02/27/74/270022774.db2.gz NTLDQQNWWVUGFE-YJBOKZPZSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C#N ZINC000533761306 270022775 /nfs/dbraw/zinc/02/27/75/270022775.db2.gz NTLDQQNWWVUGFE-YJBOKZPZSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C#N ZINC000533761306 270022776 /nfs/dbraw/zinc/02/27/76/270022776.db2.gz NTLDQQNWWVUGFE-YJBOKZPZSA-N 2 2 327.428 2.261 20 30 EEEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332371028 267028835 /nfs/dbraw/zinc/02/88/35/267028835.db2.gz ZMOGIIYATCIBAC-CALCHBBNSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332371028 267028838 /nfs/dbraw/zinc/02/88/38/267028838.db2.gz ZMOGIIYATCIBAC-CALCHBBNSA-N 2 2 340.471 2.075 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000421324065 268233328 /nfs/dbraw/zinc/23/33/28/268233328.db2.gz HNBCOISXWKDMPI-LJQANCHMSA-N 2 2 339.414 2.206 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000421324065 268233329 /nfs/dbraw/zinc/23/33/29/268233329.db2.gz HNBCOISXWKDMPI-LJQANCHMSA-N 2 2 339.414 2.206 20 30 EEEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1OC ZINC000274923154 269075655 /nfs/dbraw/zinc/07/56/55/269075655.db2.gz MSPDVGAKNMKBNL-AQNXPRMDSA-N 2 2 343.471 2.305 20 30 EEEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528487 276075095 /nfs/dbraw/zinc/07/50/95/276075095.db2.gz QPWIXMKAFCGCTN-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528487 276075096 /nfs/dbraw/zinc/07/50/96/276075096.db2.gz QPWIXMKAFCGCTN-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528487 276075099 /nfs/dbraw/zinc/07/50/99/276075099.db2.gz QPWIXMKAFCGCTN-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245528487 276075100 /nfs/dbraw/zinc/07/51/00/276075100.db2.gz QPWIXMKAFCGCTN-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177691426 311437395 /nfs/dbraw/zinc/43/73/95/311437395.db2.gz COIISPLWVXAXRX-UHFFFAOYSA-N 2 2 327.457 2.056 20 30 EEEDLP C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000567345249 319371251 /nfs/dbraw/zinc/37/12/51/319371251.db2.gz AXYFZBDPLAAXFU-MRXNPFEDSA-N 2 2 349.500 2.044 20 30 EEEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329246872 465279427 /nfs/dbraw/zinc/27/94/27/465279427.db2.gz AWMIGMKVHJFQLU-BZUAXINKSA-N 2 2 331.464 2.233 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000050954558 463012918 /nfs/dbraw/zinc/01/29/18/463012918.db2.gz LUWRUZYEPCJBKR-UHFFFAOYSA-N 2 2 343.431 2.437 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000083206526 463539589 /nfs/dbraw/zinc/53/95/89/463539589.db2.gz MTYPOHVNMHJLIH-UONOGXRCSA-N 2 2 341.440 2.328 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000083206526 463539592 /nfs/dbraw/zinc/53/95/92/463539592.db2.gz MTYPOHVNMHJLIH-UONOGXRCSA-N 2 2 341.440 2.328 20 30 EEEDLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329782894 465433288 /nfs/dbraw/zinc/43/32/88/465433288.db2.gz ODSMMNXYZPPORW-GDBMZVCRSA-N 2 2 333.480 2.337 20 30 EEEDLP COc1ccc(CCNC(=[NH2+])NCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000264090269 464282122 /nfs/dbraw/zinc/28/21/22/464282122.db2.gz KSSCJYPGWSZQSD-UHFFFAOYSA-N 2 2 337.427 2.261 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247983922 464721199 /nfs/dbraw/zinc/72/11/99/464721199.db2.gz IQSLBKTXUHBIHX-SXLOBPIMSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247983922 464721203 /nfs/dbraw/zinc/72/12/03/464721203.db2.gz IQSLBKTXUHBIHX-SXLOBPIMSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247983922 464721209 /nfs/dbraw/zinc/72/12/09/464721209.db2.gz IQSLBKTXUHBIHX-SXLOBPIMSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247983922 464721212 /nfs/dbraw/zinc/72/12/12/464721212.db2.gz IQSLBKTXUHBIHX-SXLOBPIMSA-N 2 2 339.483 2.111 20 30 EEEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329518501 465360092 /nfs/dbraw/zinc/36/00/92/465360092.db2.gz PSNFDBMZNJGDLB-GOEBONIOSA-N 2 2 332.448 2.045 20 30 EEEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329518501 465360095 /nfs/dbraw/zinc/36/00/95/465360095.db2.gz PSNFDBMZNJGDLB-GOEBONIOSA-N 2 2 332.448 2.045 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215568 468482575 /nfs/dbraw/zinc/48/25/75/468482575.db2.gz GHAOIZGDDPGXBY-MRXNPFEDSA-N 2 2 332.492 2.135 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215568 468482577 /nfs/dbraw/zinc/48/25/77/468482577.db2.gz GHAOIZGDDPGXBY-MRXNPFEDSA-N 2 2 332.492 2.135 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC1 ZINC000367516870 466387505 /nfs/dbraw/zinc/38/75/05/466387505.db2.gz HPXWQMZSIATADT-SNVBAGLBSA-N 2 2 325.869 2.249 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC1 ZINC000367516870 466387510 /nfs/dbraw/zinc/38/75/10/466387510.db2.gz HPXWQMZSIATADT-SNVBAGLBSA-N 2 2 325.869 2.249 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000364455505 466701130 /nfs/dbraw/zinc/70/11/30/466701130.db2.gz OXRXCYZEIAIKQG-SJORKVTESA-N 2 2 330.476 2.260 20 30 EEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000366070679 467048180 /nfs/dbraw/zinc/04/81/80/467048180.db2.gz 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C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001088352500 1186650058 /nfs/dbraw/zinc/65/00/58/1186650058.db2.gz CLCCUIDDUXQYSG-OALUTQOASA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001088412335 1186823655 /nfs/dbraw/zinc/82/36/55/1186823655.db2.gz DTSHSNBSFYWAFJ-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537707 1189152795 /nfs/dbraw/zinc/15/27/95/1189152795.db2.gz UTPISCLXMNKVQX-LNLFQRSKSA-N 2 2 328.460 2.076 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001044816398 1194443862 /nfs/dbraw/zinc/44/38/62/1194443862.db2.gz KISOFIZIAZERCY-HUUCEWRRSA-N 2 2 325.416 2.036 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2C#N)C1 ZINC001034136125 1195837529 /nfs/dbraw/zinc/83/75/29/1195837529.db2.gz HWTFMPDUYSLAIC-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2C#N)C1 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ZINC001051082494 1244953085 /nfs/dbraw/zinc/95/30/85/1244953085.db2.gz POUWVOVNLMIJTP-RBUKOAKNSA-N 2 2 349.519 2.177 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101274685 1245601106 /nfs/dbraw/zinc/60/11/06/1245601106.db2.gz RQYWTOGQEHOPGT-GGPKGHCWSA-N 2 2 342.487 2.274 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101274685 1245601110 /nfs/dbraw/zinc/60/11/10/1245601110.db2.gz RQYWTOGQEHOPGT-GGPKGHCWSA-N 2 2 342.487 2.274 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053041064 1245746352 /nfs/dbraw/zinc/74/63/52/1245746352.db2.gz XHSLUGBROZUUFS-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053041064 1245746361 /nfs/dbraw/zinc/74/63/61/1245746361.db2.gz XHSLUGBROZUUFS-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001053051552 1245774042 /nfs/dbraw/zinc/77/40/42/1245774042.db2.gz PIFBFQYEXZZBDP-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001053051552 1245774050 /nfs/dbraw/zinc/77/40/50/1245774050.db2.gz PIFBFQYEXZZBDP-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103344 1245915234 /nfs/dbraw/zinc/91/52/34/1245915234.db2.gz FYYZBUUPLKPSIM-IAGOWNOFSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053103344 1245915238 /nfs/dbraw/zinc/91/52/38/1245915238.db2.gz FYYZBUUPLKPSIM-IAGOWNOFSA-N 2 2 328.460 2.069 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986573 1246283556 /nfs/dbraw/zinc/28/35/56/1246283556.db2.gz ALWWHUDNOJMEEB-HZPDHXFCSA-N 2 2 330.476 2.022 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986573 1246283562 /nfs/dbraw/zinc/28/35/62/1246283562.db2.gz ALWWHUDNOJMEEB-HZPDHXFCSA-N 2 2 330.476 2.022 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285635 1248008968 /nfs/dbraw/zinc/00/89/68/1248008968.db2.gz RRLAOUJFTRSEGX-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285635 1248008977 /nfs/dbraw/zinc/00/89/77/1248008977.db2.gz RRLAOUJFTRSEGX-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)cc2C1 ZINC001054285635 1248008984 /nfs/dbraw/zinc/00/89/84/1248008984.db2.gz RRLAOUJFTRSEGX-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)cc2C1 ZINC001054285635 1248008994 /nfs/dbraw/zinc/00/89/94/1248008994.db2.gz RRLAOUJFTRSEGX-WOJBJXKFSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276382816 1253384132 /nfs/dbraw/zinc/38/41/32/1253384132.db2.gz CLKYNMCFKVLSOX-NRFANRHFSA-N 2 2 348.450 2.287 20 30 EEEDLP C#CCCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276382816 1253384134 /nfs/dbraw/zinc/38/41/34/1253384134.db2.gz CLKYNMCFKVLSOX-NRFANRHFSA-N 2 2 348.450 2.287 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664188 1296640122 /nfs/dbraw/zinc/64/01/22/1296640122.db2.gz FBIHOWTXJPECAJ-ZDUSSCGKSA-N 2 2 331.464 2.214 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036170 1300390961 /nfs/dbraw/zinc/39/09/61/1300390961.db2.gz GCKYOAMXWGKQLF-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036170 1300390972 /nfs/dbraw/zinc/39/09/72/1300390972.db2.gz GCKYOAMXWGKQLF-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163403 1302364459 /nfs/dbraw/zinc/36/44/59/1302364459.db2.gz MIQIJHXINIIWNW-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163403 1302364473 /nfs/dbraw/zinc/36/44/73/1302364473.db2.gz MIQIJHXINIIWNW-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163403 1302364480 /nfs/dbraw/zinc/36/44/80/1302364480.db2.gz MIQIJHXINIIWNW-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163403 1302364491 /nfs/dbraw/zinc/36/44/91/1302364491.db2.gz MIQIJHXINIIWNW-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784520 1303883119 /nfs/dbraw/zinc/88/31/19/1303883119.db2.gz OBKJZGLAKFBHRL-BJLQDIEVSA-N 2 2 342.487 2.464 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784520 1303883127 /nfs/dbraw/zinc/88/31/27/1303883127.db2.gz OBKJZGLAKFBHRL-BJLQDIEVSA-N 2 2 342.487 2.464 20 30 EEEDLP Cc1cc(N2CCOCC2)[nH+]cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240351559 1309309416 /nfs/dbraw/zinc/30/94/16/1309309416.db2.gz TWPFJBJYLXZHMM-UHFFFAOYSA-N 2 2 334.423 2.452 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)(COC)CC1 ZINC001162295739 1320811498 /nfs/dbraw/zinc/81/14/98/1320811498.db2.gz JCLKQUJGVCZBJT-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)(COC)CC1 ZINC001162295739 1320811505 /nfs/dbraw/zinc/81/15/05/1320811505.db2.gz JCLKQUJGVCZBJT-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP C=CCCC[NH+]1CCC(CCOC)(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001151096013 1316448646 /nfs/dbraw/zinc/44/86/46/1316448646.db2.gz STDDKEFHYYQMSZ-UHFFFAOYSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001151302703 1316499720 /nfs/dbraw/zinc/49/97/20/1316499720.db2.gz PBDTWBRFGVGURN-OAHLLOKOSA-N 2 2 346.475 2.003 20 30 EEEDLP N#Cc1ccc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)[nH]c2c1 ZINC001249429710 1317083431 /nfs/dbraw/zinc/08/34/31/1317083431.db2.gz MTCFWBXHAODDRP-UHFFFAOYSA-N 2 2 337.471 2.253 20 30 EEEDLP CCOC(=O)c1cc(C)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1C#N ZINC001155052604 1317435163 /nfs/dbraw/zinc/43/51/63/1317435163.db2.gz DAWXHMHTILAJIV-UHFFFAOYSA-N 2 2 339.399 2.091 20 30 EEEDLP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001160778834 1320266161 /nfs/dbraw/zinc/26/61/61/1320266161.db2.gz QSWFZOYIZQFONI-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001160778834 1320266163 /nfs/dbraw/zinc/26/61/63/1320266163.db2.gz QSWFZOYIZQFONI-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC001160778834 1320266166 /nfs/dbraw/zinc/26/61/66/1320266166.db2.gz QSWFZOYIZQFONI-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC001160778834 1320266168 /nfs/dbraw/zinc/26/61/68/1320266168.db2.gz QSWFZOYIZQFONI-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206956105 1323743012 /nfs/dbraw/zinc/74/30/12/1323743012.db2.gz VRURBVBCABPLTM-LJQANCHMSA-N 2 2 344.503 2.479 20 30 EEEDLP C#CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209265873 1324877683 /nfs/dbraw/zinc/87/76/83/1324877683.db2.gz METZSNXUFUZHAU-SJLPKXTDSA-N 2 2 333.501 2.388 20 30 EEEDLP C#CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209265873 1324877686 /nfs/dbraw/zinc/87/76/86/1324877686.db2.gz METZSNXUFUZHAU-SJLPKXTDSA-N 2 2 333.501 2.388 20 30 EEEDLP C#CCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209265873 1324877690 /nfs/dbraw/zinc/87/76/90/1324877690.db2.gz METZSNXUFUZHAU-SJLPKXTDSA-N 2 2 333.501 2.388 20 30 EEEDLP C#CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209265873 1324877694 /nfs/dbraw/zinc/87/76/94/1324877694.db2.gz METZSNXUFUZHAU-SJLPKXTDSA-N 2 2 333.501 2.388 20 30 EEEDLP Cc1cc([N-][NH+]=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc[nH+]1 ZINC001335347409 1336365589 /nfs/dbraw/zinc/36/55/89/1336365589.db2.gz QMFJCEAGWIVTFU-UHFFFAOYSA-N 2 2 327.407 2.149 20 30 EEEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001353584455 1338293482 /nfs/dbraw/zinc/29/34/82/1338293482.db2.gz WUBHGKVJBDBLGL-LJQANCHMSA-N 2 2 344.503 2.446 20 30 EEEDLP C[C@@H]1C(=NNCCC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000814923616 1367778830 /nfs/dbraw/zinc/77/88/30/1367778830.db2.gz LOANRRHRWSXZDY-GOSISDBHSA-N 2 2 344.503 2.339 20 30 EEEDLP C[C@@H]1C(=NNCCC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814923616 1367778841 /nfs/dbraw/zinc/77/88/41/1367778841.db2.gz LOANRRHRWSXZDY-GOSISDBHSA-N 2 2 344.503 2.339 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188284349 1368294642 /nfs/dbraw/zinc/29/46/42/1368294642.db2.gz AAELCOOLPUJSAW-RCCFBDPRSA-N 2 2 328.460 2.026 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188284349 1368294650 /nfs/dbraw/zinc/29/46/50/1368294650.db2.gz AAELCOOLPUJSAW-RCCFBDPRSA-N 2 2 328.460 2.026 20 30 EEEDLP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)Cc2ccccc2C#N)C1 ZINC001366555837 1373951799 /nfs/dbraw/zinc/95/17/99/1373951799.db2.gz MFNWPVOLXGULDT-IBGZPJMESA-N 2 2 342.487 2.228 20 30 EEEDLP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)Cc2ccccc2C#N)C1 ZINC001366555837 1373951802 /nfs/dbraw/zinc/95/18/02/1373951802.db2.gz MFNWPVOLXGULDT-IBGZPJMESA-N 2 2 342.487 2.228 20 30 EEEDLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2C#N)C1 ZINC001366555837 1373951804 /nfs/dbraw/zinc/95/18/04/1373951804.db2.gz MFNWPVOLXGULDT-IBGZPJMESA-N 2 2 342.487 2.228 20 30 EEEDLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)C1 ZINC001366555837 1373951807 /nfs/dbraw/zinc/95/18/07/1373951807.db2.gz MFNWPVOLXGULDT-IBGZPJMESA-N 2 2 342.487 2.228 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1F ZINC001375479248 1377772302 /nfs/dbraw/zinc/77/23/02/1377772302.db2.gz ZDMQGPMFMUCWOU-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1F ZINC001375479248 1377772304 /nfs/dbraw/zinc/77/23/04/1377772304.db2.gz ZDMQGPMFMUCWOU-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001375479248 1377772307 /nfs/dbraw/zinc/77/23/07/1377772307.db2.gz ZDMQGPMFMUCWOU-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001375479248 1377772311 /nfs/dbraw/zinc/77/23/11/1377772311.db2.gz ZDMQGPMFMUCWOU-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001393115038 1390325717 /nfs/dbraw/zinc/32/57/17/1390325717.db2.gz NKLUVTLCILUPFO-HKUYNNGSSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001393115038 1390325721 /nfs/dbraw/zinc/32/57/21/1390325721.db2.gz NKLUVTLCILUPFO-HKUYNNGSSA-N 2 2 346.450 2.118 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001393791192 1390543822 /nfs/dbraw/zinc/54/38/22/1390543822.db2.gz YBTJJLVJBHVESF-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001393791192 1390543824 /nfs/dbraw/zinc/54/38/24/1390543824.db2.gz YBTJJLVJBHVESF-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001393791192 1390543825 /nfs/dbraw/zinc/54/38/25/1390543825.db2.gz YBTJJLVJBHVESF-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001393791192 1390543827 /nfs/dbraw/zinc/54/38/27/1390543827.db2.gz YBTJJLVJBHVESF-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001752829820 1406454692 /nfs/dbraw/zinc/45/46/92/1406454692.db2.gz ZPVVSHFOHIHDBT-MOPGFXCFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001752829820 1406454698 /nfs/dbraw/zinc/45/46/98/1406454698.db2.gz ZPVVSHFOHIHDBT-MOPGFXCFSA-N 2 2 349.519 2.177 20 30 EEEDLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccc1C#N ZINC001401134544 1396966329 /nfs/dbraw/zinc/96/63/29/1396966329.db2.gz ADPJDKUMXHNVGI-CABCVRRESA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccccc1C#N ZINC001401134544 1396966335 /nfs/dbraw/zinc/96/63/35/1396966335.db2.gz ADPJDKUMXHNVGI-CABCVRRESA-N 2 2 339.443 2.002 20 30 EEEDLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001401336100 1397168532 /nfs/dbraw/zinc/16/85/32/1397168532.db2.gz KQKJPJQTPIKHLB-INIZCTEOSA-N 2 2 345.472 2.137 20 30 EEEDLP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001403310247 1399754882 /nfs/dbraw/zinc/75/48/82/1399754882.db2.gz JOMMTDRLKSZVHR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001403310247 1399754886 /nfs/dbraw/zinc/75/48/86/1399754886.db2.gz JOMMTDRLKSZVHR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001403310247 1399754890 /nfs/dbraw/zinc/75/48/90/1399754890.db2.gz JOMMTDRLKSZVHR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001403310247 1399754892 /nfs/dbraw/zinc/75/48/92/1399754892.db2.gz JOMMTDRLKSZVHR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001755132559 1407140135 /nfs/dbraw/zinc/14/01/35/1407140135.db2.gz GFQYTCZHLPTYEU-UHFFFAOYSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104362710 759776429 /nfs/dbraw/zinc/77/64/29/759776429.db2.gz FZFKLNKFAKYCJJ-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363063 759779245 /nfs/dbraw/zinc/77/92/45/759779245.db2.gz XOMNPWBMDOVXIG-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448470 761365791 /nfs/dbraw/zinc/36/57/91/761365791.db2.gz OIILAPPUDKNRHQ-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448470 761365804 /nfs/dbraw/zinc/36/58/04/761365804.db2.gz OIILAPPUDKNRHQ-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001024448470 761365813 /nfs/dbraw/zinc/36/58/13/761365813.db2.gz OIILAPPUDKNRHQ-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001024448470 761365821 /nfs/dbraw/zinc/36/58/21/761365821.db2.gz OIILAPPUDKNRHQ-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420768 768954699 /nfs/dbraw/zinc/95/46/99/768954699.db2.gz OPFUSPJCEVXCGJ-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420768 768954703 /nfs/dbraw/zinc/95/47/03/768954703.db2.gz OPFUSPJCEVXCGJ-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421495 768960913 /nfs/dbraw/zinc/96/09/13/768960913.db2.gz VBVDMBDAWBPQOY-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421495 768960917 /nfs/dbraw/zinc/96/09/17/768960917.db2.gz VBVDMBDAWBPQOY-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424709 769015602 /nfs/dbraw/zinc/01/56/02/769015602.db2.gz XPAPHTJDIRSCTC-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424709 769015613 /nfs/dbraw/zinc/01/56/13/769015613.db2.gz XPAPHTJDIRSCTC-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056093 782833164 /nfs/dbraw/zinc/83/31/64/782833164.db2.gz JEQSBWAEMKUFTE-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056093 782833172 /nfs/dbraw/zinc/83/31/72/782833172.db2.gz JEQSBWAEMKUFTE-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=C)C ZINC001089654466 773904729 /nfs/dbraw/zinc/90/47/29/773904729.db2.gz ZXPSISZMZDPSAU-MSOLQXFVSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)C ZINC001089654466 773904735 /nfs/dbraw/zinc/90/47/35/773904735.db2.gz ZXPSISZMZDPSAU-MSOLQXFVSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(=C)C ZINC001089654466 773904740 /nfs/dbraw/zinc/90/47/40/773904740.db2.gz ZXPSISZMZDPSAU-MSOLQXFVSA-N 2 2 331.504 2.267 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089658421 774052064 /nfs/dbraw/zinc/05/20/64/774052064.db2.gz KKGYVPCLHSSBGU-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089658421 774052074 /nfs/dbraw/zinc/05/20/74/774052074.db2.gz KKGYVPCLHSSBGU-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997642873 790515809 /nfs/dbraw/zinc/51/58/09/790515809.db2.gz VQWXTLPNFGPRGB-DOTOQJQBSA-N 2 2 330.476 2.238 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089833972 777381568 /nfs/dbraw/zinc/38/15/68/777381568.db2.gz DLFTYTPXSMGGOV-MLHJIOFPSA-N 2 2 348.450 2.140 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089833972 777381577 /nfs/dbraw/zinc/38/15/77/777381577.db2.gz DLFTYTPXSMGGOV-MLHJIOFPSA-N 2 2 348.450 2.140 20 30 EEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000981842185 778355206 /nfs/dbraw/zinc/35/52/06/778355206.db2.gz SSROAWILMVQJEC-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000981842185 778355211 /nfs/dbraw/zinc/35/52/11/778355211.db2.gz SSROAWILMVQJEC-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC000981976484 778734053 /nfs/dbraw/zinc/73/40/53/778734053.db2.gz NFNRSPBBWIKLLD-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC000981976484 778734056 /nfs/dbraw/zinc/73/40/56/778734056.db2.gz NFNRSPBBWIKLLD-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP C#CCOc1cccc(Cl)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809743590 783353064 /nfs/dbraw/zinc/35/30/64/783353064.db2.gz WFMGLCKTUJAACB-UHFFFAOYSA-N 2 2 349.906 2.421 20 30 EEEDLP C#CCOc1cccc(Cl)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809743590 783353070 /nfs/dbraw/zinc/35/30/70/783353070.db2.gz WFMGLCKTUJAACB-UHFFFAOYSA-N 2 2 349.906 2.421 20 30 EEEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680437 784217303 /nfs/dbraw/zinc/21/73/03/784217303.db2.gz VZOQGQCMHNPTIC-JKSUJKDBSA-N 2 2 326.444 2.081 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799082 784464693 /nfs/dbraw/zinc/46/46/93/784464693.db2.gz RFLCWCSMUIPETC-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997762977 791029333 /nfs/dbraw/zinc/02/93/33/791029333.db2.gz RAQTVNGFWGOTNN-USXIJHARSA-N 2 2 330.476 2.316 20 30 EEEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC001035711781 784996349 /nfs/dbraw/zinc/99/63/49/784996349.db2.gz BWWWDKBOEHWMHK-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622667 787925369 /nfs/dbraw/zinc/92/53/69/787925369.db2.gz QZHRBOQCPOFYHI-IEBWSBKVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622667 787925378 /nfs/dbraw/zinc/92/53/78/787925378.db2.gz QZHRBOQCPOFYHI-IEBWSBKVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991450730 788821732 /nfs/dbraw/zinc/82/17/32/788821732.db2.gz YCQHCZZLKQZIDT-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991450730 788821745 /nfs/dbraw/zinc/82/17/45/788821745.db2.gz YCQHCZZLKQZIDT-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC001146459102 791282933 /nfs/dbraw/zinc/28/29/33/791282933.db2.gz XDQOWZLIFKKZHQ-UHFFFAOYSA-N 2 2 345.406 2.264 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052305 791894928 /nfs/dbraw/zinc/89/49/28/791894928.db2.gz PYXNRHPDUFTYQS-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052305 791894934 /nfs/dbraw/zinc/89/49/34/791894934.db2.gz PYXNRHPDUFTYQS-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091799808 793270716 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YVZXPGCQCQOSRN-AEFFLSMTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785452302 795787148 /nfs/dbraw/zinc/78/71/48/795787148.db2.gz MZAJXVAYHSUSBL-UHFFFAOYSA-N 2 2 327.270 2.313 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973866 796836282 /nfs/dbraw/zinc/83/62/82/796836282.db2.gz ABOBTXLZIOKAJG-UAGQMJEPSA-N 2 2 331.460 2.255 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973866 796836286 /nfs/dbraw/zinc/83/62/86/796836286.db2.gz ABOBTXLZIOKAJG-UAGQMJEPSA-N 2 2 331.460 2.255 20 30 EEEDLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423817 797442887 /nfs/dbraw/zinc/44/28/87/797442887.db2.gz NGVLESWGDVXZAJ-LJQANCHMSA-N 2 2 340.471 2.235 20 30 EEEDLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423817 797442893 /nfs/dbraw/zinc/44/28/93/797442893.db2.gz NGVLESWGDVXZAJ-LJQANCHMSA-N 2 2 340.471 2.235 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162218 798783073 /nfs/dbraw/zinc/78/30/73/798783073.db2.gz JQRUWMKJSWXMEL-RBUKOAKNSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001177162218 798783077 /nfs/dbraw/zinc/78/30/77/798783077.db2.gz JQRUWMKJSWXMEL-RBUKOAKNSA-N 2 2 349.519 2.130 20 30 EEEDLP C#CC[NH2+]CCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001179819988 800098294 /nfs/dbraw/zinc/09/82/94/800098294.db2.gz FVEKFSHULNBDPO-UHFFFAOYSA-N 2 2 326.444 2.085 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004456195 802114492 /nfs/dbraw/zinc/11/44/92/802114492.db2.gz FTABRDCEVDLJIN-SFHVURJKSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004456195 802114499 /nfs/dbraw/zinc/11/44/99/802114499.db2.gz FTABRDCEVDLJIN-SFHVURJKSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004456195 802114502 /nfs/dbraw/zinc/11/45/02/802114502.db2.gz FTABRDCEVDLJIN-SFHVURJKSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004456195 802114506 /nfs/dbraw/zinc/11/45/06/802114506.db2.gz FTABRDCEVDLJIN-SFHVURJKSA-N 2 2 328.460 2.069 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184651039 802116472 /nfs/dbraw/zinc/11/64/72/802116472.db2.gz BSOCHXVRDIVVIA-CVEARBPZSA-N 2 2 331.460 2.283 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004458037 802122247 /nfs/dbraw/zinc/12/22/47/802122247.db2.gz NTBJBSRBMXSVAY-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004458037 802122250 /nfs/dbraw/zinc/12/22/50/802122250.db2.gz NTBJBSRBMXSVAY-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004458037 802122254 /nfs/dbraw/zinc/12/22/54/802122254.db2.gz NTBJBSRBMXSVAY-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004458037 802122258 /nfs/dbraw/zinc/12/22/58/802122258.db2.gz NTBJBSRBMXSVAY-MSOLQXFVSA-N 2 2 332.492 2.087 20 30 EEEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001184883331 802224649 /nfs/dbraw/zinc/22/46/49/802224649.db2.gz ULGGWFZVYCYWTI-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004622872 802484197 /nfs/dbraw/zinc/48/41/97/802484197.db2.gz FWHSDNBEJNGICJ-MRXNPFEDSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004622872 802484198 /nfs/dbraw/zinc/48/41/98/802484198.db2.gz FWHSDNBEJNGICJ-MRXNPFEDSA-N 2 2 336.867 2.339 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033199491 803067541 /nfs/dbraw/zinc/06/75/41/803067541.db2.gz UFQIHIJINIMQLL-PBHICJAKSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033199491 803067548 /nfs/dbraw/zinc/06/75/48/803067548.db2.gz UFQIHIJINIMQLL-PBHICJAKSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033199491 803067555 /nfs/dbraw/zinc/06/75/55/803067555.db2.gz UFQIHIJINIMQLL-PBHICJAKSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033199491 803067562 /nfs/dbraw/zinc/06/75/62/803067562.db2.gz UFQIHIJINIMQLL-PBHICJAKSA-N 2 2 346.500 2.137 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464013 805504034 /nfs/dbraw/zinc/50/40/34/805504034.db2.gz HULINDVUVPWLCR-NCOADZHNSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464013 805504040 /nfs/dbraw/zinc/50/40/40/805504040.db2.gz HULINDVUVPWLCR-NCOADZHNSA-N 2 2 328.460 2.133 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001438936268 1091619291 /nfs/dbraw/zinc/61/92/91/1091619291.db2.gz GLXMNAYGJBCEAV-LJQANCHMSA-N 2 2 342.487 2.323 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001438936268 1091619297 /nfs/dbraw/zinc/61/92/97/1091619297.db2.gz GLXMNAYGJBCEAV-LJQANCHMSA-N 2 2 342.487 2.323 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001438936268 1091619306 /nfs/dbraw/zinc/61/93/06/1091619306.db2.gz GLXMNAYGJBCEAV-LJQANCHMSA-N 2 2 342.487 2.323 20 30 EEEDLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)s1 ZINC001480485930 1100296435 /nfs/dbraw/zinc/29/64/35/1100296435.db2.gz GQDIIHCEXBDLDA-LLVKDONJSA-N 2 2 339.424 2.404 20 30 EEEDLP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC001499365096 1112253606 /nfs/dbraw/zinc/25/36/06/1112253606.db2.gz PDEKNJVCIHHTAU-HNNXBMFYSA-N 2 2 337.427 2.144 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000272555483 267091606 /nfs/dbraw/zinc/09/16/06/267091606.db2.gz MRDJBEZPYJCVNP-QGPMSJSTSA-N 2 2 326.444 2.126 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000272555483 267091607 /nfs/dbraw/zinc/09/16/07/267091607.db2.gz MRDJBEZPYJCVNP-QGPMSJSTSA-N 2 2 326.444 2.126 20 30 EEEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117767712 462812688 /nfs/dbraw/zinc/81/26/88/462812688.db2.gz QJQNWJCDWRDGPS-UHFFFAOYSA-N 2 2 325.416 2.180 20 30 EEEDLP C#CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000119464878 462903017 /nfs/dbraw/zinc/90/30/17/462903017.db2.gz XLGSDSINAUKELB-UHFFFAOYSA-N 2 2 346.519 2.132 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161321653 463420859 /nfs/dbraw/zinc/42/08/59/463420859.db2.gz CRFCOENLTDAMOW-OAHLLOKOSA-N 2 2 335.411 2.102 20 30 EEEDLP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1OC ZINC000170906189 463738124 /nfs/dbraw/zinc/73/81/24/463738124.db2.gz ZTJMAZURKIQIIJ-CQSZACIVSA-N 2 2 343.431 2.128 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)CC1 ZINC000281782259 464584000 /nfs/dbraw/zinc/58/40/00/464584000.db2.gz LPTGOBWRPIIDCV-KRWDZBQOSA-N 2 2 328.460 2.302 20 30 EEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000274848067 464757085 /nfs/dbraw/zinc/75/70/85/464757085.db2.gz QGIXTZGSVIPIPX-JENIJYKNSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000274848067 464757089 /nfs/dbraw/zinc/75/70/89/464757089.db2.gz QGIXTZGSVIPIPX-JENIJYKNSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266916871 464869719 /nfs/dbraw/zinc/86/97/19/464869719.db2.gz KSIQVJLZMFOROV-LSDHHAIUSA-N 2 2 329.448 2.320 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266916871 464869722 /nfs/dbraw/zinc/86/97/22/464869722.db2.gz KSIQVJLZMFOROV-LSDHHAIUSA-N 2 2 329.448 2.320 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000176946505 464891992 /nfs/dbraw/zinc/89/19/92/464891992.db2.gz HNSXMOIOUNPILH-MRXNPFEDSA-N 2 2 327.453 2.129 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000176946505 464891997 /nfs/dbraw/zinc/89/19/97/464891997.db2.gz HNSXMOIOUNPILH-MRXNPFEDSA-N 2 2 327.453 2.129 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000343250573 465493654 /nfs/dbraw/zinc/49/36/54/465493654.db2.gz ZYYBYHWEQBPCKT-ZGXWSNOMSA-N 2 2 335.536 2.432 20 30 EEEDLP CN(C(=O)CCCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000360402280 465563695 /nfs/dbraw/zinc/56/36/95/465563695.db2.gz VKDLWXUMMQNSFK-MSOLQXFVSA-N 2 2 334.508 2.476 20 30 EEEDLP CN(C(=O)CCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000360402280 465563700 /nfs/dbraw/zinc/56/37/00/465563700.db2.gz VKDLWXUMMQNSFK-MSOLQXFVSA-N 2 2 334.508 2.476 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330329877 465615471 /nfs/dbraw/zinc/61/54/71/465615471.db2.gz MWMXGTIRDCVDKL-INMHGKMJSA-N 2 2 349.479 2.018 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330329877 465615478 /nfs/dbraw/zinc/61/54/78/465615478.db2.gz MWMXGTIRDCVDKL-INMHGKMJSA-N 2 2 349.479 2.018 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365278959 466765579 /nfs/dbraw/zinc/76/55/79/466765579.db2.gz XIVHPIYMQKTCOG-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365278959 466765584 /nfs/dbraw/zinc/76/55/84/466765584.db2.gz XIVHPIYMQKTCOG-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378354473 467275996 /nfs/dbraw/zinc/27/59/96/467275996.db2.gz JWORHDIMSJRWPR-MJGOQNOKSA-N 2 2 342.487 2.189 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000378354473 467276001 /nfs/dbraw/zinc/27/60/01/467276001.db2.gz JWORHDIMSJRWPR-MJGOQNOKSA-N 2 2 342.487 2.189 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC000518984701 468133579 /nfs/dbraw/zinc/13/35/79/468133579.db2.gz FAHHNDAECWLYDN-AEFFLSMTSA-N 2 2 330.476 2.260 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533425532 468198368 /nfs/dbraw/zinc/19/83/68/468198368.db2.gz BLYAWEJSNOONIZ-LMMKCTJWSA-N 2 2 334.508 2.380 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533425532 468198376 /nfs/dbraw/zinc/19/83/76/468198376.db2.gz BLYAWEJSNOONIZ-LMMKCTJWSA-N 2 2 334.508 2.380 20 30 EEEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000584537966 468894923 /nfs/dbraw/zinc/89/49/23/468894923.db2.gz BPKRLQHZPMVXHW-LJQANCHMSA-N 2 2 342.487 2.311 20 30 EEEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000584537966 468894927 /nfs/dbraw/zinc/89/49/27/468894927.db2.gz BPKRLQHZPMVXHW-LJQANCHMSA-N 2 2 342.487 2.311 20 30 EEEDLP N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000595619772 468926634 /nfs/dbraw/zinc/92/66/34/468926634.db2.gz GXFPWUSNNLOLRJ-INIZCTEOSA-N 2 2 346.500 2.018 20 30 EEEDLP N#CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000595619772 468926639 /nfs/dbraw/zinc/92/66/39/468926639.db2.gz GXFPWUSNNLOLRJ-INIZCTEOSA-N 2 2 346.500 2.018 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)CC1 ZINC000598635608 468940804 /nfs/dbraw/zinc/94/08/04/468940804.db2.gz XKMCYIRYOXLWSI-UHFFFAOYSA-N 2 2 331.460 2.351 20 30 EEEDLP CC1(C)CC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000572932520 469021641 /nfs/dbraw/zinc/02/16/41/469021641.db2.gz CSYZATDHHAQFEP-UHFFFAOYSA-N 2 2 349.500 2.231 20 30 EEEDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)CCO1 ZINC000562987256 469125756 /nfs/dbraw/zinc/12/57/56/469125756.db2.gz WXVBCYOMTWWXBT-LPHOPBHVSA-N 2 2 326.444 2.440 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)CCO1 ZINC000562987256 469125762 /nfs/dbraw/zinc/12/57/62/469125762.db2.gz WXVBCYOMTWWXBT-LPHOPBHVSA-N 2 2 326.444 2.440 20 30 EEEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564188521 469250596 /nfs/dbraw/zinc/25/05/96/469250596.db2.gz MSASPVZUESWUSV-KBPBESRZSA-N 2 2 347.488 2.045 20 30 EEEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564188521 469250599 /nfs/dbraw/zinc/25/05/99/469250599.db2.gz MSASPVZUESWUSV-KBPBESRZSA-N 2 2 347.488 2.045 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553283 469277667 /nfs/dbraw/zinc/27/76/67/469277667.db2.gz VVDIPBSFLHHBTN-RTBURBONSA-N 2 2 330.451 2.492 20 30 EEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553283 469277672 /nfs/dbraw/zinc/27/76/72/469277672.db2.gz VVDIPBSFLHHBTN-RTBURBONSA-N 2 2 330.451 2.492 20 30 EEEDLP [NH3+]C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1C(F)(F)F ZINC000629565986 469580929 /nfs/dbraw/zinc/58/09/29/469580929.db2.gz XLXBPKWMMYNYFU-IUCAKERBSA-N 2 2 340.283 2.363 20 30 EEEDLP [NH3+]C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1C(F)(F)F ZINC000629565986 469580934 /nfs/dbraw/zinc/58/09/34/469580934.db2.gz XLXBPKWMMYNYFU-IUCAKERBSA-N 2 2 340.283 2.363 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000645232859 471186329 /nfs/dbraw/zinc/18/63/29/471186329.db2.gz VFKKTQPPPSXLEN-UHFFFAOYSA-N 2 2 341.459 2.135 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2csc3ccccc23)CC1 ZINC000748813588 577967123 /nfs/dbraw/zinc/96/71/23/577967123.db2.gz NMINWSMPYZZQHF-UHFFFAOYSA-N 2 2 341.480 2.111 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2csc3ccccc23)CC1 ZINC000748813588 577967124 /nfs/dbraw/zinc/96/71/24/577967124.db2.gz NMINWSMPYZZQHF-UHFFFAOYSA-N 2 2 341.480 2.111 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000748814005 577967190 /nfs/dbraw/zinc/96/71/90/577967190.db2.gz XQEYBHAVRWBXNH-FQEVSTJZSA-N 2 2 339.483 2.034 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000748814005 577967191 /nfs/dbraw/zinc/96/71/91/577967191.db2.gz XQEYBHAVRWBXNH-FQEVSTJZSA-N 2 2 339.483 2.034 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447293 679313840 /nfs/dbraw/zinc/31/38/40/679313840.db2.gz KOGAKXGHAWVMGX-DLBZAZTESA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447293 679313842 /nfs/dbraw/zinc/31/38/42/679313842.db2.gz KOGAKXGHAWVMGX-DLBZAZTESA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449808 679315426 /nfs/dbraw/zinc/31/54/26/679315426.db2.gz ZVZCPUUTKFHHEI-IAGOWNOFSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449808 679315428 /nfs/dbraw/zinc/31/54/28/679315428.db2.gz ZVZCPUUTKFHHEI-IAGOWNOFSA-N 2 2 330.476 2.240 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024487494 679967965 /nfs/dbraw/zinc/96/79/65/679967965.db2.gz QEAPAYJTJOKJLW-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024487494 679967959 /nfs/dbraw/zinc/96/79/59/679967959.db2.gz QEAPAYJTJOKJLW-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024487494 679967963 /nfs/dbraw/zinc/96/79/63/679967963.db2.gz QEAPAYJTJOKJLW-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024487494 679967968 /nfs/dbraw/zinc/96/79/68/679967968.db2.gz QEAPAYJTJOKJLW-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP CN(c1cc(C#N)sc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000892480923 680071039 /nfs/dbraw/zinc/07/10/39/680071039.db2.gz HLYBJJXXMRYNQI-ZDUSSCGKSA-N 2 2 349.460 2.133 20 30 EEEDLP CN(c1cc(C#N)sc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000892480923 680071044 /nfs/dbraw/zinc/07/10/44/680071044.db2.gz HLYBJJXXMRYNQI-ZDUSSCGKSA-N 2 2 349.460 2.133 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001028553673 681903556 /nfs/dbraw/zinc/90/35/56/681903556.db2.gz LKBMDDLFSMZSBT-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001028553673 681903561 /nfs/dbraw/zinc/90/35/61/681903561.db2.gz LKBMDDLFSMZSBT-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028553673 681903566 /nfs/dbraw/zinc/90/35/66/681903566.db2.gz LKBMDDLFSMZSBT-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028553673 681903568 /nfs/dbraw/zinc/90/35/68/681903568.db2.gz LKBMDDLFSMZSBT-CRAIPNDOSA-N 2 2 345.491 2.194 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251213 682329924 /nfs/dbraw/zinc/32/99/24/682329924.db2.gz HXXNHAYLNNAQJL-MSOLQXFVSA-N 2 2 342.487 2.222 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251213 682329929 /nfs/dbraw/zinc/32/99/29/682329929.db2.gz HXXNHAYLNNAQJL-MSOLQXFVSA-N 2 2 342.487 2.222 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025288285 682396102 /nfs/dbraw/zinc/39/61/02/682396102.db2.gz KIOAVDYCVVBEEO-JKSUJKDBSA-N 2 2 328.460 2.166 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025288285 682396107 /nfs/dbraw/zinc/39/61/07/682396107.db2.gz KIOAVDYCVVBEEO-JKSUJKDBSA-N 2 2 328.460 2.166 20 30 EEEDLP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953292 682624262 /nfs/dbraw/zinc/62/42/62/682624262.db2.gz IBGBEIJZNLOIGA-BZSNNMDCSA-N 3 2 346.523 2.073 20 30 EEEDLP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953292 682624264 /nfs/dbraw/zinc/62/42/64/682624264.db2.gz IBGBEIJZNLOIGA-BZSNNMDCSA-N 3 2 346.523 2.073 20 30 EEEDLP C[NH+]=C(NCc1cnc(C)s1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977354 682709295 /nfs/dbraw/zinc/70/92/95/682709295.db2.gz NYWYJJWHALYPDF-SWLSCSKDSA-N 2 2 332.477 2.307 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565200 689840320 /nfs/dbraw/zinc/84/03/20/689840320.db2.gz DOQMVMFTJJZDCM-GOEBONIOSA-N 2 2 333.501 2.261 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565200 689840324 /nfs/dbraw/zinc/84/03/24/689840324.db2.gz DOQMVMFTJJZDCM-GOEBONIOSA-N 2 2 333.501 2.261 20 30 EEEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088354727 1186664801 /nfs/dbraw/zinc/66/48/01/1186664801.db2.gz DVTZBQAVKUQUJF-GOSISDBHSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2)[C@@H]1C ZINC001088630834 1188019518 /nfs/dbraw/zinc/01/95/18/1188019518.db2.gz CNCOXIAEBOOMQS-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2)[C@@H]1C ZINC001088630834 1188019520 /nfs/dbraw/zinc/01/95/20/1188019520.db2.gz CNCOXIAEBOOMQS-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(F)c2)[C@@H]1C ZINC001088630834 1188019524 /nfs/dbraw/zinc/01/95/24/1188019524.db2.gz CNCOXIAEBOOMQS-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(F)c2)[C@@H]1C ZINC001088630834 1188019529 /nfs/dbraw/zinc/01/95/29/1188019529.db2.gz CNCOXIAEBOOMQS-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP CCCCCCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272478525 1190843890 /nfs/dbraw/zinc/84/38/90/1190843890.db2.gz MDVZWTMTDXRYPQ-IBGZPJMESA-N 2 2 348.491 2.157 20 30 EEEDLP CCCCCCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272478525 1190843893 /nfs/dbraw/zinc/84/38/93/1190843893.db2.gz MDVZWTMTDXRYPQ-IBGZPJMESA-N 2 2 348.491 2.157 20 30 EEEDLP CC(C)(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001486413499 1193922001 /nfs/dbraw/zinc/92/20/01/1193922001.db2.gz JMXLQAHWWJQPOZ-KRWDZBQOSA-N 2 2 339.443 2.145 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033416532 1194538320 /nfs/dbraw/zinc/53/83/20/1194538320.db2.gz QCSMUIMHLHZZCI-UYAOXDASSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033416532 1194538322 /nfs/dbraw/zinc/53/83/22/1194538322.db2.gz QCSMUIMHLHZZCI-UYAOXDASSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033416532 1194538325 /nfs/dbraw/zinc/53/83/25/1194538325.db2.gz QCSMUIMHLHZZCI-UYAOXDASSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033416532 1194538326 /nfs/dbraw/zinc/53/83/26/1194538326.db2.gz QCSMUIMHLHZZCI-UYAOXDASSA-N 2 2 339.483 2.055 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033777251 1195260783 /nfs/dbraw/zinc/26/07/83/1195260783.db2.gz UDHSSRRMXPGMJZ-PMACEKPBSA-N 2 2 339.483 2.055 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033777251 1195260786 /nfs/dbraw/zinc/26/07/86/1195260786.db2.gz UDHSSRRMXPGMJZ-PMACEKPBSA-N 2 2 339.483 2.055 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033777251 1195260795 /nfs/dbraw/zinc/26/07/95/1195260795.db2.gz UDHSSRRMXPGMJZ-PMACEKPBSA-N 2 2 339.483 2.055 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784010 1200024224 /nfs/dbraw/zinc/02/42/24/1200024224.db2.gz FDUILXYINFOJAE-GOSISDBHSA-N 2 2 339.524 2.306 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784010 1200024227 /nfs/dbraw/zinc/02/42/27/1200024227.db2.gz FDUILXYINFOJAE-GOSISDBHSA-N 2 2 339.524 2.306 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001086700768 1200445989 /nfs/dbraw/zinc/44/59/89/1200445989.db2.gz KYEWFCYEDBOADT-HDMKZQKVSA-N 2 2 345.491 2.241 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001086700768 1200445994 /nfs/dbraw/zinc/44/59/94/1200445994.db2.gz 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CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199432 795217234 /nfs/dbraw/zinc/21/72/34/795217234.db2.gz ZPOOFRCEBQFBKZ-HZPDHXFCSA-N 2 2 336.480 2.128 20 30 EEEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199432 795217239 /nfs/dbraw/zinc/21/72/39/795217239.db2.gz ZPOOFRCEBQFBKZ-HZPDHXFCSA-N 2 2 336.480 2.128 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106343167 795423756 /nfs/dbraw/zinc/42/37/56/795423756.db2.gz SFEFCOKKYUBZOK-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106343167 795423758 /nfs/dbraw/zinc/42/37/58/795423758.db2.gz SFEFCOKKYUBZOK-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC001078632635 796754688 /nfs/dbraw/zinc/75/46/88/796754688.db2.gz RCSOBQPISWHDSH-IRXDYDNUSA-N 2 2 342.487 2.355 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 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EEEDLP C=CCOCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000292991639 464380679 /nfs/dbraw/zinc/38/06/79/464380679.db2.gz GAQPWWHPHXDWPZ-IBGZPJMESA-N 2 2 344.503 2.118 20 30 EEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000265634365 464626186 /nfs/dbraw/zinc/62/61/86/464626186.db2.gz GVFYJSHJITZISA-IBGZPJMESA-N 2 2 340.471 2.125 20 30 EEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000265634365 464626194 /nfs/dbraw/zinc/62/61/94/464626194.db2.gz GVFYJSHJITZISA-IBGZPJMESA-N 2 2 340.471 2.125 20 30 EEEDLP C=CCOc1ccccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000299028252 465568822 /nfs/dbraw/zinc/56/88/22/465568822.db2.gz DFXAMODVTGZILK-UHFFFAOYSA-N 2 2 345.487 2.349 20 30 EEEDLP C=CCOc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000299028252 465568830 /nfs/dbraw/zinc/56/88/30/465568830.db2.gz DFXAMODVTGZILK-UHFFFAOYSA-N 2 2 345.487 2.349 20 30 EEEDLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000346152949 465940858 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/nfs/dbraw/zinc/19/24/99/1321192499.db2.gz KESSNVKLCBIDBE-UHFFFAOYSA-N 2 2 336.317 2.488 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001166808752 1321790767 /nfs/dbraw/zinc/79/07/67/1321790767.db2.gz BEDVPRKKNYLRER-SFHVURJKSA-N 2 2 349.519 2.082 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001166808752 1321790769 /nfs/dbraw/zinc/79/07/69/1321790769.db2.gz BEDVPRKKNYLRER-SFHVURJKSA-N 2 2 349.519 2.082 20 30 EEEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679792 1321939925 /nfs/dbraw/zinc/93/99/25/1321939925.db2.gz ZYCKQBBLBYKUHI-SJORKVTESA-N 2 2 330.476 2.336 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001263301342 1322455320 /nfs/dbraw/zinc/45/53/20/1322455320.db2.gz NQQQBSOZQGFXOZ-KRWDZBQOSA-N 2 2 344.507 2.153 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001263301342 1322455324 /nfs/dbraw/zinc/45/53/24/1322455324.db2.gz NQQQBSOZQGFXOZ-KRWDZBQOSA-N 2 2 344.507 2.153 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001209214547 1324857089 /nfs/dbraw/zinc/85/70/89/1324857089.db2.gz YFPFUWFWNGQGJS-PKOBYXMFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001209214547 1324857094 /nfs/dbraw/zinc/85/70/94/1324857094.db2.gz YFPFUWFWNGQGJS-PKOBYXMFSA-N 2 2 349.519 2.177 20 30 EEEDLP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001663209451 1354936181 /nfs/dbraw/zinc/93/61/81/1354936181.db2.gz KMCUFFHAOYAEHM-UHFFFAOYSA-N 2 2 333.395 2.296 20 30 EEEDLP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001663209451 1354936183 /nfs/dbraw/zinc/93/61/83/1354936183.db2.gz KMCUFFHAOYAEHM-UHFFFAOYSA-N 2 2 333.395 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001380694217 1381342831 /nfs/dbraw/zinc/34/28/31/1381342831.db2.gz XCRAZQCOVPKJKT-MUJYYYPQSA-N 2 2 336.867 2.385 20 30 EEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001380694217 1381342837 /nfs/dbraw/zinc/34/28/37/1381342837.db2.gz XCRAZQCOVPKJKT-MUJYYYPQSA-N 2 2 336.867 2.385 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001403346221 1399778209 /nfs/dbraw/zinc/77/82/09/1399778209.db2.gz PKSWWTVAYUDDPR-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755186903 1407192764 /nfs/dbraw/zinc/19/27/64/1407192764.db2.gz LGWXBYMHQYMSHU-XFQXTVEOSA-N 2 2 336.439 2.229 20 30 EEEDLP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755366320 1407367811 /nfs/dbraw/zinc/36/78/11/1407367811.db2.gz PFLQAEMMRBKMDQ-QGZVFWFLSA-N 2 2 330.476 2.311 20 30 EEEDLP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755366320 1407367819 /nfs/dbraw/zinc/36/78/19/1407367819.db2.gz PFLQAEMMRBKMDQ-QGZVFWFLSA-N 2 2 330.476 2.311 20 30 EEEDLP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001755719113 1407777876 /nfs/dbraw/zinc/77/78/76/1407777876.db2.gz UQBCQEARKYDCBB-IRXDYDNUSA-N 2 2 348.491 2.098 20 30 EEEDLP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC001755719113 1407777879 /nfs/dbraw/zinc/77/78/79/1407777879.db2.gz UQBCQEARKYDCBB-IRXDYDNUSA-N 2 2 348.491 2.098 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783587 782250315 /nfs/dbraw/zinc/25/03/15/782250315.db2.gz JFROHJYSQGHKLZ-FUHWJXTLSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783587 782250322 /nfs/dbraw/zinc/25/03/22/782250322.db2.gz JFROHJYSQGHKLZ-FUHWJXTLSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367083 759821911 /nfs/dbraw/zinc/82/19/11/759821911.db2.gz HBCMPRKYGUFTTP-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419744 768932239 /nfs/dbraw/zinc/93/22/39/768932239.db2.gz HRYRGOCOHOVDKV-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419744 768932245 /nfs/dbraw/zinc/93/22/45/768932245.db2.gz HRYRGOCOHOVDKV-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050731 782820106 /nfs/dbraw/zinc/82/01/06/782820106.db2.gz TWRKGLZNINIUTE-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050731 782820116 /nfs/dbraw/zinc/82/01/16/782820116.db2.gz TWRKGLZNINIUTE-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776163 783144242 /nfs/dbraw/zinc/14/42/42/783144242.db2.gz FMQWQKKTNFWJTF-IXDOHACOSA-N 2 2 340.471 2.023 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776163 783144247 /nfs/dbraw/zinc/14/42/47/783144247.db2.gz FMQWQKKTNFWJTF-IXDOHACOSA-N 2 2 340.471 2.023 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC000980230225 774152551 /nfs/dbraw/zinc/15/25/51/774152551.db2.gz PWRXEMABRBSCGQ-OTWHNJEPSA-N 2 2 348.450 2.336 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC000980230225 774152556 /nfs/dbraw/zinc/15/25/56/774152556.db2.gz PWRXEMABRBSCGQ-OTWHNJEPSA-N 2 2 348.450 2.336 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027944004 774779616 /nfs/dbraw/zinc/77/96/16/774779616.db2.gz RSBRYSNOMYSREN-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027944004 774779622 /nfs/dbraw/zinc/77/96/22/774779622.db2.gz RSBRYSNOMYSREN-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027944004 774779628 /nfs/dbraw/zinc/77/96/28/774779628.db2.gz RSBRYSNOMYSREN-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027944004 774779632 /nfs/dbraw/zinc/77/96/32/774779632.db2.gz RSBRYSNOMYSREN-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000809606373 783220189 /nfs/dbraw/zinc/22/01/89/783220189.db2.gz PXYZRYMDWIPXKJ-UHFFFAOYSA-N 2 2 347.462 2.345 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089833968 777379843 /nfs/dbraw/zinc/37/98/43/777379843.db2.gz DLFTYTPXSMGGOV-FJIDUMEYSA-N 2 2 348.450 2.140 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089833968 777379853 /nfs/dbraw/zinc/37/98/53/777379853.db2.gz DLFTYTPXSMGGOV-FJIDUMEYSA-N 2 2 348.450 2.140 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981857436 778392801 /nfs/dbraw/zinc/39/28/01/778392801.db2.gz XNHZUZGRYUVTDT-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981857436 778392809 /nfs/dbraw/zinc/39/28/09/778392809.db2.gz XNHZUZGRYUVTDT-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001035570884 784703325 /nfs/dbraw/zinc/70/33/25/784703325.db2.gz FCSNGNPBRRWKKZ-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035570884 784703329 /nfs/dbraw/zinc/70/33/29/784703329.db2.gz FCSNGNPBRRWKKZ-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035570884 784703335 /nfs/dbraw/zinc/70/33/35/784703335.db2.gz FCSNGNPBRRWKKZ-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035570884 784703348 /nfs/dbraw/zinc/70/33/48/784703348.db2.gz FCSNGNPBRRWKKZ-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP CCOCCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000922943020 788391957 /nfs/dbraw/zinc/39/19/57/788391957.db2.gz ATRJQQPZFWYQGY-UHFFFAOYSA-N 2 2 331.460 2.165 20 30 EEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001006018940 789303710 /nfs/dbraw/zinc/30/37/10/789303710.db2.gz KQEUQGZERNHRMM-IAGOWNOFSA-N 2 2 330.476 2.413 20 30 EEEDLP [NH2+]=C(Nc1ccc(OC2C[NH2+]C2)cn1)c1ccc2cc(O)ccc2c1 ZINC001171184856 789805450 /nfs/dbraw/zinc/80/54/50/789805450.db2.gz CAUKBEKZXCEQLX-UHFFFAOYSA-N 2 2 334.379 2.328 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998047617 791885021 /nfs/dbraw/zinc/88/50/21/791885021.db2.gz RABCARYXRISAOS-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998047617 791885027 /nfs/dbraw/zinc/88/50/27/791885027.db2.gz RABCARYXRISAOS-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998118918 791998460 /nfs/dbraw/zinc/99/84/60/791998460.db2.gz YIAIPPQSJBQNCU-HOTGVXAUSA-N 2 2 328.460 2.166 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738047 792599042 /nfs/dbraw/zinc/59/90/42/792599042.db2.gz NZOOLHLBSNWWGW-RKVPGOIHSA-N 2 2 348.878 2.293 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738047 792599048 /nfs/dbraw/zinc/59/90/48/792599048.db2.gz NZOOLHLBSNWWGW-RKVPGOIHSA-N 2 2 348.878 2.293 20 30 EEEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086952338 793086186 /nfs/dbraw/zinc/08/61/86/793086186.db2.gz GCQGLZSJXVBREC-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343254 795423878 /nfs/dbraw/zinc/42/38/78/795423878.db2.gz WMLCVRTVYLZDQY-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160462 796492466 /nfs/dbraw/zinc/49/24/66/796492466.db2.gz QAWKHNFZENEAAW-XWSJACJDSA-N 2 2 325.456 2.034 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160462 796492471 /nfs/dbraw/zinc/49/24/71/796492471.db2.gz QAWKHNFZENEAAW-XWSJACJDSA-N 2 2 325.456 2.034 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830627 796950254 /nfs/dbraw/zinc/95/02/54/796950254.db2.gz TYSIPZFFEOMTCB-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1CC[NH3+] ZINC001172970658 797176336 /nfs/dbraw/zinc/17/63/36/797176336.db2.gz IYSLDOBJFAUSMS-KBPBESRZSA-N 2 2 333.436 2.157 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000994141829 797356710 /nfs/dbraw/zinc/35/67/10/797356710.db2.gz ADWHJGYFSJOBDY-VQIMIIECSA-N 2 2 336.439 2.478 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881297 798260859 /nfs/dbraw/zinc/26/08/59/798260859.db2.gz NNXPQLPQQIDVPY-HNNXBMFYSA-N 2 2 339.443 2.289 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004456194 802114684 /nfs/dbraw/zinc/11/46/84/802114684.db2.gz FTABRDCEVDLJIN-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004456194 802114688 /nfs/dbraw/zinc/11/46/88/802114688.db2.gz FTABRDCEVDLJIN-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004456194 802114691 /nfs/dbraw/zinc/11/46/91/802114691.db2.gz FTABRDCEVDLJIN-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004456194 802114694 /nfs/dbraw/zinc/11/46/94/802114694.db2.gz FTABRDCEVDLJIN-GOSISDBHSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571879 802391997 /nfs/dbraw/zinc/39/19/97/802391997.db2.gz XCDSLKHPJCRPQB-FUHWJXTLSA-N 2 2 328.460 2.170 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571879 802392005 /nfs/dbraw/zinc/39/20/05/802392005.db2.gz XCDSLKHPJCRPQB-FUHWJXTLSA-N 2 2 328.460 2.170 20 30 EEEDLP N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004619527 802497677 /nfs/dbraw/zinc/49/76/77/802497677.db2.gz LICZYAIEKYBHHU-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004619527 802497682 /nfs/dbraw/zinc/49/76/82/802497682.db2.gz LICZYAIEKYBHHU-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001437728158 1090283987 /nfs/dbraw/zinc/28/39/87/1090283987.db2.gz OVKNVKRLFCSGEM-GOSISDBHSA-N 2 2 349.906 2.352 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001437728158 1090283990 /nfs/dbraw/zinc/28/39/90/1090283990.db2.gz OVKNVKRLFCSGEM-GOSISDBHSA-N 2 2 349.906 2.352 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001437728158 1090283994 /nfs/dbraw/zinc/28/39/94/1090283994.db2.gz OVKNVKRLFCSGEM-GOSISDBHSA-N 2 2 349.906 2.352 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001439414618 1092183474 /nfs/dbraw/zinc/18/34/74/1092183474.db2.gz CLRXZCCFBAYFIL-LSDHHAIUSA-N 2 2 338.883 2.370 20 30 EEEDLP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001444386172 1098973368 /nfs/dbraw/zinc/97/33/68/1098973368.db2.gz YPCTUSVZMYEIGY-DGCLKSJQSA-N 2 2 343.269 2.085 20 30 EEEDLP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226770 1112688748 /nfs/dbraw/zinc/68/87/48/1112688748.db2.gz DTPXNUPDRHRRDX-FQEVSTJZSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226770 1112688752 /nfs/dbraw/zinc/68/87/52/1112688752.db2.gz DTPXNUPDRHRRDX-FQEVSTJZSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226770 1112688757 /nfs/dbraw/zinc/68/87/57/1112688757.db2.gz DTPXNUPDRHRRDX-FQEVSTJZSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1)C1CCC1 ZINC001500226770 1112688760 /nfs/dbraw/zinc/68/87/60/1112688760.db2.gz DTPXNUPDRHRRDX-FQEVSTJZSA-N 2 2 340.471 2.123 20 30 EEEDLP Cn1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C#N ZINC000191284358 529976422 /nfs/dbraw/zinc/97/64/22/529976422.db2.gz ZJWBRFSVHDVQGQ-UHFFFAOYSA-N 2 2 337.471 2.431 20 30 EEEDLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C#N ZINC000191284358 529976423 /nfs/dbraw/zinc/97/64/23/529976423.db2.gz ZJWBRFSVHDVQGQ-UHFFFAOYSA-N 2 2 337.471 2.431 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1CC ZINC001087607029 781930310 /nfs/dbraw/zinc/93/03/10/781930310.db2.gz GXZPCTGXEZDWDE-ZCNNSNEGSA-N 2 2 339.483 2.253 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1CC ZINC001087607029 781930315 /nfs/dbraw/zinc/93/03/15/781930315.db2.gz GXZPCTGXEZDWDE-ZCNNSNEGSA-N 2 2 339.483 2.253 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1CC ZINC001087607029 781930324 /nfs/dbraw/zinc/93/03/24/781930324.db2.gz GXZPCTGXEZDWDE-ZCNNSNEGSA-N 2 2 339.483 2.253 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1CC ZINC001087607029 781930334 /nfs/dbraw/zinc/93/03/34/781930334.db2.gz GXZPCTGXEZDWDE-ZCNNSNEGSA-N 2 2 339.483 2.253 20 30 EEEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000273501087 135632098 /nfs/dbraw/zinc/63/20/98/135632098.db2.gz QEZYBEFBSSPHCW-IRXDYDNUSA-N 2 2 345.491 2.226 20 30 EEEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337188851 465234046 /nfs/dbraw/zinc/23/40/46/465234046.db2.gz QOGYFSSPDYULOW-RTBURBONSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337188851 465234052 /nfs/dbraw/zinc/23/40/52/465234052.db2.gz QOGYFSSPDYULOW-RTBURBONSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000337188851 465234057 /nfs/dbraw/zinc/23/40/57/465234057.db2.gz QOGYFSSPDYULOW-RTBURBONSA-N 2 2 327.472 2.227 20 30 EEEDLP C=CCN1CC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000337188851 465234061 /nfs/dbraw/zinc/23/40/61/465234061.db2.gz QOGYFSSPDYULOW-RTBURBONSA-N 2 2 327.472 2.227 20 30 EEEDLP N#CC1(CCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000590600295 468283606 /nfs/dbraw/zinc/28/36/06/468283606.db2.gz MVRTVBJYAUREIX-SFHVURJKSA-N 2 2 335.492 2.274 20 30 EEEDLP N#CC1(CCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000590600295 468283610 /nfs/dbraw/zinc/28/36/10/468283610.db2.gz MVRTVBJYAUREIX-SFHVURJKSA-N 2 2 335.492 2.274 20 30 EEEDLP COC(=O)c1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1C#N ZINC000535051613 468293909 /nfs/dbraw/zinc/29/39/09/468293909.db2.gz KHJVPTMSHWQBJF-UHFFFAOYSA-N 2 2 326.400 2.372 20 30 EEEDLP COC(=O)c1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1C#N ZINC000535051613 468293919 /nfs/dbraw/zinc/29/39/19/468293919.db2.gz KHJVPTMSHWQBJF-UHFFFAOYSA-N 2 2 326.400 2.372 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000590690106 468308182 /nfs/dbraw/zinc/30/81/82/468308182.db2.gz VPQRQRRIWCLULF-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000590690106 468308186 /nfs/dbraw/zinc/30/81/86/468308186.db2.gz VPQRQRRIWCLULF-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262007349 463924485 /nfs/dbraw/zinc/92/44/85/463924485.db2.gz VXIHWKDGJBJTKZ-SUMWQHHRSA-N 2 2 344.463 2.189 20 30 EEEDLP C=CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000348162613 465459393 /nfs/dbraw/zinc/45/93/93/465459393.db2.gz CKIMSQVGGUZXLM-UHFFFAOYSA-N 2 2 327.472 2.229 20 30 EEEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)C1 ZINC000366662053 465863033 /nfs/dbraw/zinc/86/30/33/465863033.db2.gz IQCRLRWZKDVJFB-IBGZPJMESA-N 2 2 331.891 2.403 20 30 EEEDLP C[N@H+]1CCC[C@H](N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)C1 ZINC000366662053 465863036 /nfs/dbraw/zinc/86/30/36/465863036.db2.gz IQCRLRWZKDVJFB-IBGZPJMESA-N 2 2 331.891 2.403 20 30 EEEDLP Cc1cc(C)c(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)[nH+]1 ZINC000331246328 465995836 /nfs/dbraw/zinc/99/58/36/465995836.db2.gz UXKNROSGOSDFNS-UHFFFAOYSA-N 2 2 334.464 2.331 20 30 EEEDLP Cc1cc(C)c(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)c(C)[nH+]1 ZINC000331246328 465995844 /nfs/dbraw/zinc/99/58/44/465995844.db2.gz UXKNROSGOSDFNS-UHFFFAOYSA-N 2 2 334.464 2.331 20 30 EEEDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000591726115 468510625 /nfs/dbraw/zinc/51/06/25/468510625.db2.gz RYGKPZLCDXGTNL-SFHVURJKSA-N 2 2 339.487 2.357 20 30 EEEDLP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000591726115 468510639 /nfs/dbraw/zinc/51/06/39/468510639.db2.gz RYGKPZLCDXGTNL-SFHVURJKSA-N 2 2 339.487 2.357 20 30 EEEDLP C[C@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862108 469125845 /nfs/dbraw/zinc/12/58/45/469125845.db2.gz LBIMBODHRNIDIM-RHSMWYFYSA-N 2 2 348.878 2.485 20 30 EEEDLP CC[N@H+](Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1)C(C)C ZINC000563220312 469203356 /nfs/dbraw/zinc/20/33/56/469203356.db2.gz KQILCTDKSAZBQK-LJQANCHMSA-N 2 2 330.476 2.491 20 30 EEEDLP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1)C(C)C ZINC000563220312 469203359 /nfs/dbraw/zinc/20/33/59/469203359.db2.gz KQILCTDKSAZBQK-LJQANCHMSA-N 2 2 330.476 2.491 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603910534 469444864 /nfs/dbraw/zinc/44/48/64/469444864.db2.gz SYGLQKYZGXRPBU-BZSNNMDCSA-N 2 2 340.471 2.090 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNc1nc(N2CCOCC2)cc[nH+]1)C(C)C ZINC000125435440 490647274 /nfs/dbraw/zinc/64/72/74/490647274.db2.gz KLUIRAMBYXZWEE-QGZVFWFLSA-N 2 2 345.491 2.424 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000130357853 534549182 /nfs/dbraw/zinc/54/91/82/534549182.db2.gz GSKUNRCGXKABJH-CYBMUJFWSA-N 2 2 329.404 2.314 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000130357853 534549191 /nfs/dbraw/zinc/54/91/91/534549191.db2.gz GSKUNRCGXKABJH-CYBMUJFWSA-N 2 2 329.404 2.314 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000774806928 577419093 /nfs/dbraw/zinc/41/90/93/577419093.db2.gz URSBSARTIJBLEH-KRWDZBQOSA-N 2 2 335.451 2.268 20 30 EEEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000776920692 577469816 /nfs/dbraw/zinc/46/98/16/577469816.db2.gz PTSPZRZJQWBBFE-UHFFFAOYSA-N 2 2 347.422 2.410 20 30 EEEDLP N#CCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127953 577513586 /nfs/dbraw/zinc/51/35/86/577513586.db2.gz GGQAMJODDTUGTH-OALUTQOASA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127953 577513587 /nfs/dbraw/zinc/51/35/87/577513587.db2.gz GGQAMJODDTUGTH-OALUTQOASA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127953 577513588 /nfs/dbraw/zinc/51/35/88/577513588.db2.gz GGQAMJODDTUGTH-OALUTQOASA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127953 577513589 /nfs/dbraw/zinc/51/35/89/577513589.db2.gz GGQAMJODDTUGTH-OALUTQOASA-N 2 2 340.471 2.003 20 30 EEEDLP C=C(C[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000764350982 577734677 /nfs/dbraw/zinc/73/46/77/577734677.db2.gz JMRVVWPLXFLGEZ-HOTGVXAUSA-N 2 2 331.460 2.352 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CC)Cc2ccc(C)cc2)CC1 ZINC000748824867 577967752 /nfs/dbraw/zinc/96/77/52/577967752.db2.gz OWVXJZNJAOXPEQ-HXUWFJFHSA-N 2 2 341.499 2.025 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CC)Cc2ccc(C)cc2)CC1 ZINC000748824867 577967753 /nfs/dbraw/zinc/96/77/53/577967753.db2.gz OWVXJZNJAOXPEQ-HXUWFJFHSA-N 2 2 341.499 2.025 20 30 EEEDLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001021421320 676067770 /nfs/dbraw/zinc/06/77/70/676067770.db2.gz PJMAPRVBOMCOMW-YQQQUEKLSA-N 2 2 348.450 2.116 20 30 EEEDLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001021421320 676067773 /nfs/dbraw/zinc/06/77/73/676067773.db2.gz PJMAPRVBOMCOMW-YQQQUEKLSA-N 2 2 348.450 2.116 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001022286703 676796610 /nfs/dbraw/zinc/79/66/10/676796610.db2.gz ULCVJAHJAZNFNS-CALCHBBNSA-N 2 2 345.406 2.485 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447295 679313938 /nfs/dbraw/zinc/31/39/38/679313938.db2.gz KOGAKXGHAWVMGX-IRXDYDNUSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447295 679313940 /nfs/dbraw/zinc/31/39/40/679313940.db2.gz KOGAKXGHAWVMGX-IRXDYDNUSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000972635999 679472030 /nfs/dbraw/zinc/47/20/30/679472030.db2.gz WKBKPUUXBSYIGS-ICSRJNTNSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000972635999 679472033 /nfs/dbraw/zinc/47/20/33/679472033.db2.gz WKBKPUUXBSYIGS-ICSRJNTNSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972635999 679472035 /nfs/dbraw/zinc/47/20/35/679472035.db2.gz WKBKPUUXBSYIGS-ICSRJNTNSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972635999 679472036 /nfs/dbraw/zinc/47/20/36/679472036.db2.gz WKBKPUUXBSYIGS-ICSRJNTNSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023681176 679473268 /nfs/dbraw/zinc/47/32/68/679473268.db2.gz HWWPRZKUHIJMDQ-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023681176 679473270 /nfs/dbraw/zinc/47/32/70/679473270.db2.gz HWWPRZKUHIJMDQ-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024575507 681221751 /nfs/dbraw/zinc/22/17/51/681221751.db2.gz KQEDTIJGWXMUHO-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024575507 681221754 /nfs/dbraw/zinc/22/17/54/681221754.db2.gz KQEDTIJGWXMUHO-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001026321328 684262916 /nfs/dbraw/zinc/26/29/16/684262916.db2.gz PDDSGVVHGKCHOX-YTQUADARSA-N 2 2 336.439 2.499 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000974598898 685113966 /nfs/dbraw/zinc/11/39/66/685113966.db2.gz KRIRMIGYLIMWJJ-DLBZAZTESA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000974598898 685113973 /nfs/dbraw/zinc/11/39/73/685113973.db2.gz KRIRMIGYLIMWJJ-DLBZAZTESA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000974598898 685113976 /nfs/dbraw/zinc/11/39/76/685113976.db2.gz KRIRMIGYLIMWJJ-DLBZAZTESA-N 2 2 345.491 2.193 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC1(C)C ZINC000974687100 685226182 /nfs/dbraw/zinc/22/61/82/685226182.db2.gz QLBSCBYGVJODGB-ZWKOTPCHSA-N 2 2 345.531 2.347 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)CC1(C)C ZINC000974687100 685226184 /nfs/dbraw/zinc/22/61/84/685226184.db2.gz QLBSCBYGVJODGB-ZWKOTPCHSA-N 2 2 345.531 2.347 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)CC1(C)C ZINC000974687100 685226185 /nfs/dbraw/zinc/22/61/85/685226185.db2.gz QLBSCBYGVJODGB-ZWKOTPCHSA-N 2 2 345.531 2.347 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)CC1(C)C ZINC000974687100 685226188 /nfs/dbraw/zinc/22/61/88/685226188.db2.gz QLBSCBYGVJODGB-ZWKOTPCHSA-N 2 2 345.531 2.347 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027442998 688180335 /nfs/dbraw/zinc/18/03/35/688180335.db2.gz HWODAIIBXAHREL-GJZGRUSLSA-N 2 2 336.867 2.436 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027442998 688180336 /nfs/dbraw/zinc/18/03/36/688180336.db2.gz HWODAIIBXAHREL-GJZGRUSLSA-N 2 2 336.867 2.436 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000986297353 688468301 /nfs/dbraw/zinc/46/83/01/688468301.db2.gz VJCPHUWZYRVQMT-DZGCQCFKSA-N 2 2 336.867 2.093 20 30 EEEDLP CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977596333 692793927 /nfs/dbraw/zinc/79/39/27/692793927.db2.gz SLPJHWYOYQWAMS-INIZCTEOSA-N 2 2 346.500 2.042 20 30 EEEDLP CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977596333 692793930 /nfs/dbraw/zinc/79/39/30/692793930.db2.gz SLPJHWYOYQWAMS-INIZCTEOSA-N 2 2 346.500 2.042 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027580996 693219956 /nfs/dbraw/zinc/21/99/56/693219956.db2.gz CWTYFULYBJVCJB-KGLIPLIRSA-N 2 2 346.313 2.158 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027580996 693219957 /nfs/dbraw/zinc/21/99/57/693219957.db2.gz CWTYFULYBJVCJB-KGLIPLIRSA-N 2 2 346.313 2.158 20 30 EEEDLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001481817781 1182736199 /nfs/dbraw/zinc/73/61/99/1182736199.db2.gz AOEVMBSOAQFETK-OAHLLOKOSA-N 2 2 343.406 2.038 20 30 EEEDLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001481817781 1182736204 /nfs/dbraw/zinc/73/62/04/1182736204.db2.gz AOEVMBSOAQFETK-OAHLLOKOSA-N 2 2 343.406 2.038 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001105522184 1188146487 /nfs/dbraw/zinc/14/64/87/1188146487.db2.gz CYPSLAULYATXDF-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001105522184 1188146490 /nfs/dbraw/zinc/14/64/90/1188146490.db2.gz CYPSLAULYATXDF-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001484325060 1191305697 /nfs/dbraw/zinc/30/56/97/1191305697.db2.gz XOPDXMVQUPATDL-MOPGFXCFSA-N 2 2 327.472 2.113 20 30 EEEDLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033415771 1194536325 /nfs/dbraw/zinc/53/63/25/1194536325.db2.gz KIYJEQFEJQOEEL-QFBILLFUSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033415771 1194536328 /nfs/dbraw/zinc/53/63/28/1194536328.db2.gz KIYJEQFEJQOEEL-QFBILLFUSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033415771 1194536332 /nfs/dbraw/zinc/53/63/32/1194536332.db2.gz KIYJEQFEJQOEEL-QFBILLFUSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033415771 1194536335 /nfs/dbraw/zinc/53/63/35/1194536335.db2.gz KIYJEQFEJQOEEL-QFBILLFUSA-N 2 2 340.471 2.075 20 30 EEEDLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033416527 1194537981 /nfs/dbraw/zinc/53/79/81/1194537981.db2.gz QCSMUIMHLHZZCI-ICSRJNTNSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033416527 1194537985 /nfs/dbraw/zinc/53/79/85/1194537985.db2.gz QCSMUIMHLHZZCI-ICSRJNTNSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033416527 1194537990 /nfs/dbraw/zinc/53/79/90/1194537990.db2.gz QCSMUIMHLHZZCI-ICSRJNTNSA-N 2 2 339.483 2.055 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033416527 1194537993 /nfs/dbraw/zinc/53/79/93/1194537993.db2.gz QCSMUIMHLHZZCI-ICSRJNTNSA-N 2 2 339.483 2.055 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229471 1195965777 /nfs/dbraw/zinc/96/57/77/1195965777.db2.gz QZARYVYOQASKST-MRXNPFEDSA-N 2 2 333.501 2.417 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229471 1195965781 /nfs/dbraw/zinc/96/57/81/1195965781.db2.gz QZARYVYOQASKST-MRXNPFEDSA-N 2 2 333.501 2.417 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(F)(F)F)C1 ZINC001034250415 1195983913 /nfs/dbraw/zinc/98/39/13/1195983913.db2.gz UJBSWXAZDYATER-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(F)(F)F)C1 ZINC001034250415 1195983915 /nfs/dbraw/zinc/98/39/15/1195983915.db2.gz UJBSWXAZDYATER-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(F)(F)F)C1 ZINC001034250415 1195983918 /nfs/dbraw/zinc/98/39/18/1195983918.db2.gz UJBSWXAZDYATER-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(F)(F)F)C1 ZINC001034250415 1195983920 /nfs/dbraw/zinc/98/39/20/1195983920.db2.gz UJBSWXAZDYATER-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC001034529080 1196335003 /nfs/dbraw/zinc/33/50/03/1196335003.db2.gz WKJCSAUACHFLDQ-HNNXBMFYSA-N 2 2 346.500 2.186 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC001034529080 1196335006 /nfs/dbraw/zinc/33/50/06/1196335006.db2.gz WKJCSAUACHFLDQ-HNNXBMFYSA-N 2 2 346.500 2.186 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001034962859 1196944591 /nfs/dbraw/zinc/94/45/91/1196944591.db2.gz MNTGCHQXKFNVPX-KZNAEPCWSA-N 2 2 349.438 2.166 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001034962859 1196944593 /nfs/dbraw/zinc/94/45/93/1196944593.db2.gz MNTGCHQXKFNVPX-KZNAEPCWSA-N 2 2 349.438 2.166 20 30 EEEDLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001275550682 1205406833 /nfs/dbraw/zinc/40/68/33/1205406833.db2.gz NYKAMPQJULFMHJ-UHFFFAOYSA-N 2 2 342.487 2.113 20 30 EEEDLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001275550682 1205406835 /nfs/dbraw/zinc/40/68/35/1205406835.db2.gz NYKAMPQJULFMHJ-UHFFFAOYSA-N 2 2 342.487 2.113 20 30 EEEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1CC#N ZINC001276242988 1205851298 /nfs/dbraw/zinc/85/12/98/1205851298.db2.gz ZXCLYSLWPOWHKC-IHWFROFDSA-N 2 2 326.488 2.399 20 30 EEEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CC#N ZINC001276242988 1205851300 /nfs/dbraw/zinc/85/13/00/1205851300.db2.gz ZXCLYSLWPOWHKC-IHWFROFDSA-N 2 2 326.488 2.399 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001095556320 1205873217 /nfs/dbraw/zinc/87/32/17/1205873217.db2.gz LEEXXTGVBNHPAJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001095556320 1205873219 /nfs/dbraw/zinc/87/32/19/1205873219.db2.gz LEEXXTGVBNHPAJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095556320 1205873221 /nfs/dbraw/zinc/87/32/21/1205873221.db2.gz LEEXXTGVBNHPAJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095556320 1205873223 /nfs/dbraw/zinc/87/32/23/1205873223.db2.gz LEEXXTGVBNHPAJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP 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HIUFYLFTXRVSGK-UHFFFAOYSA-N 2 2 340.471 2.475 20 30 EEEDLP N#Cc1ccccc1C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902177 800159249 /nfs/dbraw/zinc/15/92/49/800159249.db2.gz HVBJINJAVFUMQC-UHFFFAOYSA-N 2 2 339.443 2.290 20 30 EEEDLP C=C(Br)C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902836 800178996 /nfs/dbraw/zinc/17/89/96/800178996.db2.gz UEAPQCWXUJBZLW-UHFFFAOYSA-N 2 2 343.269 2.127 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001181951834 800973285 /nfs/dbraw/zinc/97/32/85/800973285.db2.gz KTQSVKYEFYUZKS-JTDSTZFVSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001184438526 802018722 /nfs/dbraw/zinc/01/87/22/802018722.db2.gz ZCKBTTYUGKQQSB-HZPDHXFCSA-N 2 2 330.476 2.022 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004427708 802030257 /nfs/dbraw/zinc/03/02/57/802030257.db2.gz UTLUNGIPTVRAGT-KRWDZBQOSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004427708 802030266 /nfs/dbraw/zinc/03/02/66/802030266.db2.gz UTLUNGIPTVRAGT-KRWDZBQOSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571884 802391907 /nfs/dbraw/zinc/39/19/07/802391907.db2.gz XCDSLKHPJCRPQB-WMZOPIPTSA-N 2 2 328.460 2.170 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571884 802391917 /nfs/dbraw/zinc/39/19/17/802391917.db2.gz XCDSLKHPJCRPQB-WMZOPIPTSA-N 2 2 328.460 2.170 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638707 802529929 /nfs/dbraw/zinc/52/99/29/802529929.db2.gz ZLPLHOXXWKUYFC-CALCHBBNSA-N 2 2 343.471 2.379 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638707 802529935 /nfs/dbraw/zinc/52/99/35/802529935.db2.gz ZLPLHOXXWKUYFC-CALCHBBNSA-N 2 2 343.471 2.379 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688255 802825006 /nfs/dbraw/zinc/82/50/06/802825006.db2.gz NOXZNYZGXJBIRX-HDICACEKSA-N 2 2 325.456 2.424 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688255 802825012 /nfs/dbraw/zinc/82/50/12/802825012.db2.gz NOXZNYZGXJBIRX-HDICACEKSA-N 2 2 325.456 2.424 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075007 803605035 /nfs/dbraw/zinc/60/50/35/803605035.db2.gz FAHCOTPJDAHXFC-APWZRJJASA-N 3 2 326.444 2.057 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075007 803605038 /nfs/dbraw/zinc/60/50/38/803605038.db2.gz FAHCOTPJDAHXFC-APWZRJJASA-N 3 2 326.444 2.057 20 30 EEEDLP C=C(Br)C[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001022 811069094 /nfs/dbraw/zinc/06/90/94/811069094.db2.gz ACCZOJDQLNYDFV-ZDUSSCGKSA-N 2 2 343.269 2.085 20 30 EEEDLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187229089 236151912 /nfs/dbraw/zinc/15/19/12/236151912.db2.gz LWZJZXLCCZUSDI-UHFFFAOYSA-N 2 2 348.878 2.101 20 30 EEEDLP C#CCNC(=O)CC[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000491731153 533164302 /nfs/dbraw/zinc/16/43/02/533164302.db2.gz APNDJWVDEKZXDU-QGZVFWFLSA-N 2 2 327.472 2.379 20 30 EEEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421328834 270019716 /nfs/dbraw/zinc/01/97/16/270019716.db2.gz UHMOYEAUSAWZBD-UHFFFAOYSA-N 2 2 339.418 2.134 20 30 EEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000297721279 465268467 /nfs/dbraw/zinc/26/84/67/465268467.db2.gz BKIGRSRNDKUQRL-QGZVFWFLSA-N 2 2 340.471 2.099 20 30 EEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000297721279 465268472 /nfs/dbraw/zinc/26/84/72/465268472.db2.gz BKIGRSRNDKUQRL-QGZVFWFLSA-N 2 2 340.471 2.099 20 30 EEEDLP Cc1cccc(NCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)[nH+]1 ZINC000329513977 465359520 /nfs/dbraw/zinc/35/95/20/465359520.db2.gz CSCZTSXMAJBBDY-INIZCTEOSA-N 2 2 332.448 2.402 20 30 EEEDLP Cc1cccc(NCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)[nH+]1 ZINC000329513977 465359527 /nfs/dbraw/zinc/35/95/27/465359527.db2.gz CSCZTSXMAJBBDY-INIZCTEOSA-N 2 2 332.448 2.402 20 30 EEEDLP C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@H+](C)CC1 ZINC000329714496 465413999 /nfs/dbraw/zinc/41/39/99/465413999.db2.gz SYFGSWCFGVVQGS-WMLDXEAASA-N 2 2 330.432 2.099 20 30 EEEDLP C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000329714496 465414004 /nfs/dbraw/zinc/41/40/04/465414004.db2.gz SYFGSWCFGVVQGS-WMLDXEAASA-N 2 2 330.432 2.099 20 30 EEEDLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000045877261 462626934 /nfs/dbraw/zinc/62/69/34/462626934.db2.gz OMGLXTDKDZANSJ-MRXNPFEDSA-N 2 2 337.427 2.050 20 30 EEEDLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000045877261 462626937 /nfs/dbraw/zinc/62/69/37/462626937.db2.gz OMGLXTDKDZANSJ-MRXNPFEDSA-N 2 2 337.427 2.050 20 30 EEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1c(C)noc1C ZINC000156420564 463022053 /nfs/dbraw/zinc/02/20/53/463022053.db2.gz XDSWLHGBDNAWGI-UHFFFAOYSA-N 2 2 347.488 2.076 20 30 EEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1c(C)noc1C ZINC000156420564 463022055 /nfs/dbraw/zinc/02/20/55/463022055.db2.gz XDSWLHGBDNAWGI-UHFFFAOYSA-N 2 2 347.488 2.076 20 30 EEEDLP CC(C)(C)OCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776720 463173880 /nfs/dbraw/zinc/17/38/80/463173880.db2.gz NXPYKHCLVNSSMW-UHFFFAOYSA-N 2 2 349.475 2.095 20 30 EEEDLP Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000536068377 468341812 /nfs/dbraw/zinc/34/18/12/468341812.db2.gz BAUWYGDTBUGZRL-ZDUSSCGKSA-N 2 2 343.456 2.398 20 30 EEEDLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000536068377 468341815 /nfs/dbraw/zinc/34/18/15/468341815.db2.gz BAUWYGDTBUGZRL-ZDUSSCGKSA-N 2 2 343.456 2.398 20 30 EEEDLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000080973433 463376927 /nfs/dbraw/zinc/37/69/27/463376927.db2.gz KHRDMJJFHWOFMK-HNNXBMFYSA-N 2 2 329.448 2.274 20 30 EEEDLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000080973433 463376930 /nfs/dbraw/zinc/37/69/30/463376930.db2.gz KHRDMJJFHWOFMK-HNNXBMFYSA-N 2 2 329.448 2.274 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278792832 463986431 /nfs/dbraw/zinc/98/64/31/463986431.db2.gz FAZXMCHMNKVIAL-UHFFFAOYSA-N 2 2 343.475 2.161 20 30 EEEDLP CC(C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000288783416 464058318 /nfs/dbraw/zinc/05/83/18/464058318.db2.gz WPYRVRASPBQLJO-HNNXBMFYSA-N 2 2 326.391 2.048 20 30 EEEDLP N#CC1(CC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCCCC1 ZINC000591021005 468395019 /nfs/dbraw/zinc/39/50/19/468395019.db2.gz RGNGZTOGJXQWHP-KRWDZBQOSA-N 2 2 332.492 2.265 20 30 EEEDLP N#CC1(CC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCCCC1 ZINC000591021005 468395024 /nfs/dbraw/zinc/39/50/24/468395024.db2.gz RGNGZTOGJXQWHP-KRWDZBQOSA-N 2 2 332.492 2.265 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000264412263 464315571 /nfs/dbraw/zinc/31/55/71/464315571.db2.gz OUVPMCCLHFRRIW-UHFFFAOYSA-N 2 2 343.475 2.131 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245432778 464480768 /nfs/dbraw/zinc/48/07/68/464480768.db2.gz BLVSUVFHQPGEPR-PKOBYXMFSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245432778 464480779 /nfs/dbraw/zinc/48/07/79/464480779.db2.gz BLVSUVFHQPGEPR-PKOBYXMFSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245432778 464480787 /nfs/dbraw/zinc/48/07/87/464480787.db2.gz BLVSUVFHQPGEPR-PKOBYXMFSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245432778 464480796 /nfs/dbraw/zinc/48/07/96/464480796.db2.gz BLVSUVFHQPGEPR-PKOBYXMFSA-N 2 2 342.487 2.201 20 30 EEEDLP CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245805702 464516024 /nfs/dbraw/zinc/51/60/24/464516024.db2.gz PYLVDQHITGVROF-AOIWGVFYSA-N 2 2 342.487 2.247 20 30 EEEDLP CC[NH+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245805702 464516029 /nfs/dbraw/zinc/51/60/29/464516029.db2.gz PYLVDQHITGVROF-AOIWGVFYSA-N 2 2 342.487 2.247 20 30 EEEDLP CC[NH+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245805702 464516033 /nfs/dbraw/zinc/51/60/33/464516033.db2.gz PYLVDQHITGVROF-AOIWGVFYSA-N 2 2 342.487 2.247 20 30 EEEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)nc1 ZINC000190091109 464596588 /nfs/dbraw/zinc/59/65/88/464596588.db2.gz PRNCXJNPGGWJLV-UHFFFAOYSA-N 2 2 331.464 2.195 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000295080403 464697759 /nfs/dbraw/zinc/69/77/59/464697759.db2.gz TWHMXCYSBXQFFN-INIZCTEOSA-N 2 2 325.460 2.490 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000295080403 464697765 /nfs/dbraw/zinc/69/77/65/464697765.db2.gz TWHMXCYSBXQFFN-INIZCTEOSA-N 2 2 325.460 2.490 20 30 EEEDLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[nH+]cn1 ZINC000329911132 465471295 /nfs/dbraw/zinc/47/12/95/465471295.db2.gz WGAJSLHRDQCNFF-RBSFLKMASA-N 2 2 346.479 2.316 20 30 EEEDLP C#CC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000360054249 465526953 /nfs/dbraw/zinc/52/69/53/465526953.db2.gz FKAOJVDJNXHXCW-OAQYLSRUSA-N 2 2 341.499 2.137 20 30 EEEDLP C#CC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000360054249 465526954 /nfs/dbraw/zinc/52/69/54/465526954.db2.gz FKAOJVDJNXHXCW-OAQYLSRUSA-N 2 2 341.499 2.137 20 30 EEEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000433032324 467284894 /nfs/dbraw/zinc/28/48/94/467284894.db2.gz AIEVMYXGLVQFDY-BWPNAZKDSA-N 2 2 345.487 2.481 20 30 EEEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000433032324 467284897 /nfs/dbraw/zinc/28/48/97/467284897.db2.gz AIEVMYXGLVQFDY-BWPNAZKDSA-N 2 2 345.487 2.481 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000575377535 468140422 /nfs/dbraw/zinc/14/04/22/468140422.db2.gz VFHQNBLKVYZQMU-BHIYHBOVSA-N 2 2 332.488 2.473 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000575377535 468140429 /nfs/dbraw/zinc/14/04/29/468140429.db2.gz VFHQNBLKVYZQMU-BHIYHBOVSA-N 2 2 332.488 2.473 20 30 EEEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569573025 468512183 /nfs/dbraw/zinc/51/21/83/468512183.db2.gz OEDNZIYTEBWMDR-UONOGXRCSA-N 2 2 347.488 2.187 20 30 EEEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569573025 468512189 /nfs/dbraw/zinc/51/21/89/468512189.db2.gz OEDNZIYTEBWMDR-UONOGXRCSA-N 2 2 347.488 2.187 20 30 EEEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598723246 468975220 /nfs/dbraw/zinc/97/52/20/468975220.db2.gz FSNBQPPZBNMFQW-YJBOKZPZSA-N 2 2 330.476 2.497 20 30 EEEDLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)CC1 ZINC000563065280 469158814 /nfs/dbraw/zinc/15/88/14/469158814.db2.gz ZEAGRMGRESWAFR-CQSZACIVSA-N 2 2 335.477 2.335 20 30 EEEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257645 469906050 /nfs/dbraw/zinc/90/60/50/469906050.db2.gz BJWXXYFVZNWHIX-AWEZNQCLSA-N 2 2 329.429 2.482 20 30 EEEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257645 469906054 /nfs/dbraw/zinc/90/60/54/469906054.db2.gz BJWXXYFVZNWHIX-AWEZNQCLSA-N 2 2 329.429 2.482 20 30 EEEDLP C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382779 471735950 /nfs/dbraw/zinc/73/59/50/471735950.db2.gz XMLGZIHAKXRRGU-ZWKOTPCHSA-N 2 2 342.487 2.407 20 30 EEEDLP C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382779 471735952 /nfs/dbraw/zinc/73/59/52/471735952.db2.gz XMLGZIHAKXRRGU-ZWKOTPCHSA-N 2 2 342.487 2.407 20 30 EEEDLP C=CCn1nnn(C[N@@H+](C)CCCc2[nH+]ccn2CCC)c1=S ZINC000762077248 577694562 /nfs/dbraw/zinc/69/45/62/577694562.db2.gz ZMEBJRVQZNASEF-UHFFFAOYSA-N 2 2 335.481 2.124 20 30 EEEDLP C=CCn1nnn(C[N@H+](C)CCCc2[nH+]ccn2CCC)c1=S ZINC000762077248 577694563 /nfs/dbraw/zinc/69/45/63/577694563.db2.gz ZMEBJRVQZNASEF-UHFFFAOYSA-N 2 2 335.481 2.124 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CC)Cc2ccc(C)cc2)CC1 ZINC000748824864 577967708 /nfs/dbraw/zinc/96/77/08/577967708.db2.gz OWVXJZNJAOXPEQ-FQEVSTJZSA-N 2 2 341.499 2.025 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CC)Cc2ccc(C)cc2)CC1 ZINC000748824864 577967709 /nfs/dbraw/zinc/96/77/09/577967709.db2.gz OWVXJZNJAOXPEQ-FQEVSTJZSA-N 2 2 341.499 2.025 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449203 679314485 /nfs/dbraw/zinc/31/44/85/679314485.db2.gz JRGREPPNHNUDQG-DLBZAZTESA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449203 679314486 /nfs/dbraw/zinc/31/44/86/679314486.db2.gz JRGREPPNHNUDQG-DLBZAZTESA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571200 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CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032205954 1193083573 /nfs/dbraw/zinc/08/35/73/1193083573.db2.gz NMKZFKGAIRPTSZ-QGZVFWFLSA-N 2 2 346.500 2.042 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032205954 1193083576 /nfs/dbraw/zinc/08/35/76/1193083576.db2.gz NMKZFKGAIRPTSZ-QGZVFWFLSA-N 2 2 346.500 2.042 20 30 EEEDLP CCCC#CC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001272112348 1187914159 /nfs/dbraw/zinc/91/41/59/1187914159.db2.gz RGGFWDDAIYEJRJ-MOPGFXCFSA-N 2 2 328.460 2.238 20 30 EEEDLP C=CCN1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001272880575 1193590577 /nfs/dbraw/zinc/59/05/77/1193590577.db2.gz ZJOXOZPIKOMVEN-FQEVSTJZSA-N 2 2 336.439 2.483 20 30 EEEDLP C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001272880575 1193590579 /nfs/dbraw/zinc/59/05/79/1193590579.db2.gz ZJOXOZPIKOMVEN-FQEVSTJZSA-N 2 2 336.439 2.483 20 30 EEEDLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033774813 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CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474385 1209161955 /nfs/dbraw/zinc/16/19/55/1209161955.db2.gz UHTQHIRMFBBAMD-KRWDZBQOSA-N 2 2 330.476 2.263 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561390 1209222895 /nfs/dbraw/zinc/22/28/95/1209222895.db2.gz KXGCKKJSCWCZEW-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561390 1209222899 /nfs/dbraw/zinc/22/28/99/1209222899.db2.gz KXGCKKJSCWCZEW-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948565964 1209226610 /nfs/dbraw/zinc/22/66/10/1209226610.db2.gz IUHFVLUCIIVSCX-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948565964 1209226614 /nfs/dbraw/zinc/22/66/14/1209226614.db2.gz IUHFVLUCIIVSCX-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP 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C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000961200251 1217085121 /nfs/dbraw/zinc/08/51/21/1217085121.db2.gz VCICMFXVCRITIJ-SJORKVTESA-N 2 2 343.471 2.379 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961414310 1217180577 /nfs/dbraw/zinc/18/05/77/1217180577.db2.gz BIMOJZRYWSPAQU-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961414310 1217180578 /nfs/dbraw/zinc/18/05/78/1217180578.db2.gz BIMOJZRYWSPAQU-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433241 1217188262 /nfs/dbraw/zinc/18/82/62/1217188262.db2.gz VGVGTKBYCJVDAB-KRWDZBQOSA-N 2 2 342.487 2.271 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433241 1217188264 /nfs/dbraw/zinc/18/82/64/1217188264.db2.gz VGVGTKBYCJVDAB-KRWDZBQOSA-N 2 2 342.487 2.271 20 30 EEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1CC ZINC001037964915 1220790179 /nfs/dbraw/zinc/79/01/79/1220790179.db2.gz VUIQHCSKGIRXEN-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001016338251 1226363980 /nfs/dbraw/zinc/36/39/80/1226363980.db2.gz JWJKAOYKOVLLLI-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001016338251 1226363983 /nfs/dbraw/zinc/36/39/83/1226363983.db2.gz JWJKAOYKOVLLLI-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016338251 1226363986 /nfs/dbraw/zinc/36/39/86/1226363986.db2.gz JWJKAOYKOVLLLI-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016338251 1226363989 /nfs/dbraw/zinc/36/39/89/1226363989.db2.gz JWJKAOYKOVLLLI-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001014413658 1226589990 /nfs/dbraw/zinc/58/99/90/1226589990.db2.gz MDPMYLGWJCTANK-OALUTQOASA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001014413658 1226589996 /nfs/dbraw/zinc/58/99/96/1226589996.db2.gz MDPMYLGWJCTANK-OALUTQOASA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014413658 1226590000 /nfs/dbraw/zinc/59/00/00/1226590000.db2.gz MDPMYLGWJCTANK-OALUTQOASA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014413658 1226590005 /nfs/dbraw/zinc/59/00/05/1226590005.db2.gz MDPMYLGWJCTANK-OALUTQOASA-N 2 2 340.471 2.122 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039248308 1230483695 /nfs/dbraw/zinc/48/36/95/1230483695.db2.gz BDIMSZRFXSJGFK-MJGOQNOKSA-N 2 2 342.487 2.079 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039248308 1230483698 /nfs/dbraw/zinc/48/36/98/1230483698.db2.gz BDIMSZRFXSJGFK-MJGOQNOKSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001042168377 1231931617 /nfs/dbraw/zinc/93/16/17/1231931617.db2.gz UUXDXLNLMAJUOF-VQIMIIECSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001042168377 1231931619 /nfs/dbraw/zinc/93/16/19/1231931619.db2.gz UUXDXLNLMAJUOF-VQIMIIECSA-N 2 2 334.423 2.042 20 30 EEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045481472 1233769049 /nfs/dbraw/zinc/76/90/49/1233769049.db2.gz ZYNVYNFAQOGQRZ-MRXNPFEDSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001046330652 1234674968 /nfs/dbraw/zinc/67/49/68/1234674968.db2.gz PEGPVEIFNSOFAC-HKUYNNGSSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001046330652 1234674970 /nfs/dbraw/zinc/67/49/70/1234674970.db2.gz PEGPVEIFNSOFAC-HKUYNNGSSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046330652 1234674973 /nfs/dbraw/zinc/67/49/73/1234674973.db2.gz PEGPVEIFNSOFAC-HKUYNNGSSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046330652 1234674976 /nfs/dbraw/zinc/67/49/76/1234674976.db2.gz PEGPVEIFNSOFAC-HKUYNNGSSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001048542519 1237921295 /nfs/dbraw/zinc/92/12/95/1237921295.db2.gz PSZZOUSJWYGVRC-ZJPYXAASSA-N 2 2 342.487 2.381 20 30 EEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001048542519 1237921302 /nfs/dbraw/zinc/92/13/02/1237921302.db2.gz PSZZOUSJWYGVRC-ZJPYXAASSA-N 2 2 342.487 2.381 20 30 EEEDLP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC001000260727 1240108002 /nfs/dbraw/zinc/10/80/02/1240108002.db2.gz XPIFEBVUZDLFMH-HZPDHXFCSA-N 2 2 328.460 2.070 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080123 1245843840 /nfs/dbraw/zinc/84/38/40/1245843840.db2.gz AMOQARVZQPHMTL-MSOLQXFVSA-N 2 2 342.487 2.459 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053080123 1245843853 /nfs/dbraw/zinc/84/38/53/1245843853.db2.gz AMOQARVZQPHMTL-MSOLQXFVSA-N 2 2 342.487 2.459 20 30 EEEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001054044940 1247217792 /nfs/dbraw/zinc/21/77/92/1247217792.db2.gz HVLBKCFEJSPTCR-RTBURBONSA-N 2 2 327.472 2.200 20 30 EEEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001054044940 1247217800 /nfs/dbraw/zinc/21/78/00/1247217800.db2.gz HVLBKCFEJSPTCR-RTBURBONSA-N 2 2 327.472 2.200 20 30 EEEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054044940 1247217811 /nfs/dbraw/zinc/21/78/11/1247217811.db2.gz HVLBKCFEJSPTCR-RTBURBONSA-N 2 2 327.472 2.200 20 30 EEEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054044940 1247217815 /nfs/dbraw/zinc/21/78/15/1247217815.db2.gz HVLBKCFEJSPTCR-RTBURBONSA-N 2 2 327.472 2.200 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052502137 1247438659 /nfs/dbraw/zinc/43/86/59/1247438659.db2.gz ATRIFEFSHFWLLV-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052502137 1247438666 /nfs/dbraw/zinc/43/86/66/1247438666.db2.gz ATRIFEFSHFWLLV-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164231 1247579456 /nfs/dbraw/zinc/57/94/56/1247579456.db2.gz DTIPQIXRZDCGOB-FQEVSTJZSA-N 2 2 336.439 2.286 20 30 EEEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164231 1247579464 /nfs/dbraw/zinc/57/94/64/1247579464.db2.gz DTIPQIXRZDCGOB-FQEVSTJZSA-N 2 2 336.439 2.286 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195284 1247678988 /nfs/dbraw/zinc/67/89/88/1247678988.db2.gz ILTHCHYXLFFWOM-BEFAXECRSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195284 1247678997 /nfs/dbraw/zinc/67/89/97/1247678997.db2.gz ILTHCHYXLFFWOM-BEFAXECRSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235530 1247812482 /nfs/dbraw/zinc/81/24/82/1247812482.db2.gz WKLZLMNUHISQTO-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235530 1247812495 /nfs/dbraw/zinc/81/24/95/1247812495.db2.gz WKLZLMNUHISQTO-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCCO1 ZINC001200955495 1287233426 /nfs/dbraw/zinc/23/34/26/1287233426.db2.gz MAMCLNBCPDUBSX-MRXNPFEDSA-N 2 2 342.443 2.121 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188630597 1279959931 /nfs/dbraw/zinc/95/99/31/1279959931.db2.gz SRMJLMVCJNDYCH-IXDOHACOSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188630597 1279959936 /nfs/dbraw/zinc/95/99/36/1279959936.db2.gz SRMJLMVCJNDYCH-IXDOHACOSA-N 2 2 330.476 2.240 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001192961520 1282248737 /nfs/dbraw/zinc/24/87/37/1282248737.db2.gz ZOXGCEUAVWGTKX-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001196382742 1284036724 /nfs/dbraw/zinc/03/67/24/1284036724.db2.gz SWGTYBZCYRUECA-HNNXBMFYSA-N 2 2 334.464 2.239 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001196382742 1284036735 /nfs/dbraw/zinc/03/67/35/1284036735.db2.gz SWGTYBZCYRUECA-HNNXBMFYSA-N 2 2 334.464 2.239 20 30 EEEDLP C=CCC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1OC ZINC001198826684 1285358728 /nfs/dbraw/zinc/35/87/28/1285358728.db2.gz LQSJURJCOWGBEW-QGZVFWFLSA-N 2 2 342.443 2.305 20 30 EEEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1OC ZINC001198946271 1285466894 /nfs/dbraw/zinc/46/68/94/1285466894.db2.gz XBUCRDOCZLNARO-INIZCTEOSA-N 2 2 342.443 2.374 20 30 EEEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1OC ZINC001199016388 1285470742 /nfs/dbraw/zinc/47/07/42/1285470742.db2.gz MLWNJYRPBUNMLB-KRWDZBQOSA-N 2 2 342.443 2.305 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629308 1294699042 /nfs/dbraw/zinc/69/90/42/1294699042.db2.gz XTCWDBRHXXZYEL-CABCVRRESA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629308 1294699057 /nfs/dbraw/zinc/69/90/57/1294699057.db2.gz XTCWDBRHXXZYEL-CABCVRRESA-N 2 2 334.464 2.285 20 30 EEEDLP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219309118 1297979547 /nfs/dbraw/zinc/97/95/47/1297979547.db2.gz UZGJTONPJGIVAC-MRXNPFEDSA-N 2 2 326.476 2.147 20 30 EEEDLP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323850 1299043225 /nfs/dbraw/zinc/04/32/25/1299043225.db2.gz BTNTZZCLPRTIHP-INIZCTEOSA-N 2 2 348.491 2.070 20 30 EEEDLP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323850 1299043241 /nfs/dbraw/zinc/04/32/41/1299043241.db2.gz BTNTZZCLPRTIHP-INIZCTEOSA-N 2 2 348.491 2.070 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098082 1300297346 /nfs/dbraw/zinc/29/73/46/1300297346.db2.gz SJDHRKUVLKOFJC-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098082 1300297348 /nfs/dbraw/zinc/29/73/48/1300297348.db2.gz SJDHRKUVLKOFJC-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165360 1301718702 /nfs/dbraw/zinc/71/87/02/1301718702.db2.gz LZPTXDYWWJWSPF-BZUAXINKSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165360 1301718711 /nfs/dbraw/zinc/71/87/11/1301718711.db2.gz LZPTXDYWWJWSPF-BZUAXINKSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162906 1302360160 /nfs/dbraw/zinc/36/01/60/1302360160.db2.gz OYKGVJAFUJXJIC-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162906 1302360169 /nfs/dbraw/zinc/36/01/69/1302360169.db2.gz OYKGVJAFUJXJIC-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001103163173 1302361728 /nfs/dbraw/zinc/36/17/28/1302361728.db2.gz ZVRJUARYFLUJCZ-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001103163173 1302361741 /nfs/dbraw/zinc/36/17/41/1302361741.db2.gz ZVRJUARYFLUJCZ-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1C#N ZINC001277596154 1303966595 /nfs/dbraw/zinc/96/65/95/1303966595.db2.gz SDQOHNXZZATAHB-YQQQUEKLSA-N 2 2 342.487 2.084 20 30 EEEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1C#N ZINC001277596154 1303966597 /nfs/dbraw/zinc/96/65/97/1303966597.db2.gz SDQOHNXZZATAHB-YQQQUEKLSA-N 2 2 342.487 2.084 20 30 EEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001112424108 1304541650 /nfs/dbraw/zinc/54/16/50/1304541650.db2.gz QOYCPTDMHVBSBJ-LPHOPBHVSA-N 2 2 330.476 2.331 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352416 1305202060 /nfs/dbraw/zinc/20/20/60/1305202060.db2.gz AKMIEZQOSQLKDD-SFHVURJKSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352416 1305202065 /nfs/dbraw/zinc/20/20/65/1305202065.db2.gz AKMIEZQOSQLKDD-SFHVURJKSA-N 2 2 340.471 2.075 20 30 EEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001122141590 1310228586 /nfs/dbraw/zinc/22/85/86/1310228586.db2.gz UTHRPJDUJGDIQZ-UHFFFAOYSA-N 2 2 330.476 2.336 20 30 EEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819136 1321591238 /nfs/dbraw/zinc/59/12/38/1321591238.db2.gz KXWWHZZCJCBYQE-MRXNPFEDSA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819135 1321591344 /nfs/dbraw/zinc/59/13/44/1321591344.db2.gz KXWWHZZCJCBYQE-INIZCTEOSA-N 2 2 330.476 2.288 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCO2)C3)cc1C#N ZINC001276434644 1322010551 /nfs/dbraw/zinc/01/05/51/1322010551.db2.gz SXKVHYWISBOZNG-WOJBJXKFSA-N 2 2 342.487 2.364 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCO2)C3)cc1C#N ZINC001276434644 1322010555 /nfs/dbraw/zinc/01/05/55/1322010555.db2.gz SXKVHYWISBOZNG-WOJBJXKFSA-N 2 2 342.487 2.364 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@H]2CCCO2)C3)cc1C#N ZINC001276434644 1322010563 /nfs/dbraw/zinc/01/05/63/1322010563.db2.gz SXKVHYWISBOZNG-WOJBJXKFSA-N 2 2 342.487 2.364 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@H]2CCCO2)C3)cc1C#N ZINC001276434644 1322010568 /nfs/dbraw/zinc/01/05/68/1322010568.db2.gz SXKVHYWISBOZNG-WOJBJXKFSA-N 2 2 342.487 2.364 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001204055773 1322025828 /nfs/dbraw/zinc/02/58/28/1322025828.db2.gz MOCUPSPRJMXELP-UHFFFAOYSA-N 2 2 343.471 2.207 20 30 EEEDLP CCC[NH+](CCC)CCN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207108427 1323855449 /nfs/dbraw/zinc/85/54/49/1323855449.db2.gz BFKDYKNLQJGPSM-UHFFFAOYSA-N 2 2 331.508 2.136 20 30 EEEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001210437820 1325284343 /nfs/dbraw/zinc/28/43/43/1325284343.db2.gz NAWGVGYJMPVMEM-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001322206095 1333227867 /nfs/dbraw/zinc/22/78/67/1333227867.db2.gz ODKKUGXRSAGBLI-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001322206095 1333227869 /nfs/dbraw/zinc/22/78/69/1333227869.db2.gz ODKKUGXRSAGBLI-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001100601231 1338538885 /nfs/dbraw/zinc/53/88/85/1338538885.db2.gz XLPWKEWNLABUFD-TVPLGVNVSA-N 2 2 349.519 2.080 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001100601231 1338538890 /nfs/dbraw/zinc/53/88/90/1338538890.db2.gz XLPWKEWNLABUFD-TVPLGVNVSA-N 2 2 349.519 2.080 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCn1cc[nH+]c1 ZINC001135130924 1368052612 /nfs/dbraw/zinc/05/26/12/1368052612.db2.gz BNQIXXHFEUDMRM-KBPBESRZSA-N 2 2 345.472 2.279 20 30 EEEDLP C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001754969202 1407015238 /nfs/dbraw/zinc/01/52/38/1407015238.db2.gz STICQZOBKQFYNS-SFHVURJKSA-N 2 2 349.519 2.178 20 30 EEEDLP C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001754969202 1407015245 /nfs/dbraw/zinc/01/52/45/1407015245.db2.gz STICQZOBKQFYNS-SFHVURJKSA-N 2 2 349.519 2.178 20 30 EEEDLP C#CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001574672962 1403525023 /nfs/dbraw/zinc/52/50/23/1403525023.db2.gz GSFFKTGZZHKBQJ-FXAWDEMLSA-N 2 2 335.455 2.325 20 30 EEEDLP C#CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001574672962 1403525026 /nfs/dbraw/zinc/52/50/26/1403525026.db2.gz GSFFKTGZZHKBQJ-FXAWDEMLSA-N 2 2 335.455 2.325 20 30 EEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104367425 759825969 /nfs/dbraw/zinc/82/59/69/759825969.db2.gz SJRGHDPJCPIPNA-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104367425 759825976 /nfs/dbraw/zinc/82/59/76/759825976.db2.gz SJRGHDPJCPIPNA-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942538274 782653769 /nfs/dbraw/zinc/65/37/69/782653769.db2.gz NEURYMHZPQJJRU-APWZRJJASA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942538274 782653774 /nfs/dbraw/zinc/65/37/74/782653774.db2.gz NEURYMHZPQJJRU-APWZRJJASA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660643 774044992 /nfs/dbraw/zinc/04/49/92/774044992.db2.gz MPMHTVUMKYPCPT-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660643 774044997 /nfs/dbraw/zinc/04/49/97/774044997.db2.gz MPMHTVUMKYPCPT-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001031816563 776336545 /nfs/dbraw/zinc/33/65/45/776336545.db2.gz FDSOKIWGKQGVNZ-UHFFFAOYSA-N 2 2 344.418 2.048 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2csc(C)c2)CC1 ZINC000981365574 777260382 /nfs/dbraw/zinc/26/03/82/777260382.db2.gz RGGUCRSNMMIHAI-SFHVURJKSA-N 2 2 345.512 2.188 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2csc(C)c2)CC1 ZINC000981365574 777260385 /nfs/dbraw/zinc/26/03/85/777260385.db2.gz RGGUCRSNMMIHAI-SFHVURJKSA-N 2 2 345.512 2.188 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2csc(C)c2)CC1 ZINC000981365574 777260389 /nfs/dbraw/zinc/26/03/89/777260389.db2.gz RGGUCRSNMMIHAI-SFHVURJKSA-N 2 2 345.512 2.188 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2csc(C)c2)CC1 ZINC000981365574 777260394 /nfs/dbraw/zinc/26/03/94/777260394.db2.gz RGGUCRSNMMIHAI-SFHVURJKSA-N 2 2 345.512 2.188 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997646636 790530647 /nfs/dbraw/zinc/53/06/47/790530647.db2.gz PUNMZRCWPOWGOD-RDJZCZTQSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997647908 790538276 /nfs/dbraw/zinc/53/82/76/790538276.db2.gz DJFDIBRZDUKUDH-DOTOQJQBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000982164487 779185850 /nfs/dbraw/zinc/18/58/50/779185850.db2.gz OVJBGPADANPNTM-GOSISDBHSA-N 2 2 342.487 2.185 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000982164487 779185853 /nfs/dbraw/zinc/18/58/53/779185853.db2.gz OVJBGPADANPNTM-GOSISDBHSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035237385 784158322 /nfs/dbraw/zinc/15/83/22/784158322.db2.gz ZWGXDLYQLGPPJE-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035237385 784158325 /nfs/dbraw/zinc/15/83/25/784158325.db2.gz ZWGXDLYQLGPPJE-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035237385 784158329 /nfs/dbraw/zinc/15/83/29/784158329.db2.gz ZWGXDLYQLGPPJE-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035237385 784158334 /nfs/dbraw/zinc/15/83/34/784158334.db2.gz ZWGXDLYQLGPPJE-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135852171 784604125 /nfs/dbraw/zinc/60/41/25/784604125.db2.gz BVLRISQGXQSHCS-HUUCEWRRSA-N 2 2 327.432 2.330 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035721145 785016688 /nfs/dbraw/zinc/01/66/88/785016688.db2.gz QUEKORRGBITXRN-HNNXBMFYSA-N 2 2 325.884 2.004 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998045273 791882264 /nfs/dbraw/zinc/88/22/64/791882264.db2.gz JSZAFYAAOWAIFN-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998045273 791882267 /nfs/dbraw/zinc/88/22/67/791882267.db2.gz JSZAFYAAOWAIFN-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998045273 791882270 /nfs/dbraw/zinc/88/22/70/791882270.db2.gz JSZAFYAAOWAIFN-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998045273 791882273 /nfs/dbraw/zinc/88/22/73/791882273.db2.gz JSZAFYAAOWAIFN-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092057265 793523551 /nfs/dbraw/zinc/52/35/51/793523551.db2.gz OOQZCGZPBLHQEH-UXLLHSPISA-N 2 2 336.867 2.367 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092057265 793523555 /nfs/dbraw/zinc/52/35/55/793523555.db2.gz OOQZCGZPBLHQEH-UXLLHSPISA-N 2 2 336.867 2.367 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242595 793716931 /nfs/dbraw/zinc/71/69/31/793716931.db2.gz RSUUJPZCYKDIHI-APWZRJJASA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242595 793716937 /nfs/dbraw/zinc/71/69/37/793716937.db2.gz RSUUJPZCYKDIHI-APWZRJJASA-N 2 2 330.476 2.099 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC000999320304 794286850 /nfs/dbraw/zinc/28/68/50/794286850.db2.gz YUMYRFJPGKRYRQ-AWEZNQCLSA-N 2 2 343.456 2.056 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC000999320304 794286856 /nfs/dbraw/zinc/28/68/56/794286856.db2.gz YUMYRFJPGKRYRQ-AWEZNQCLSA-N 2 2 343.456 2.056 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036716634 794608925 /nfs/dbraw/zinc/60/89/25/794608925.db2.gz IYIFMHAZBWOWSK-ZWKOTPCHSA-N 2 2 336.439 2.202 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036716634 794608927 /nfs/dbraw/zinc/60/89/27/794608927.db2.gz IYIFMHAZBWOWSK-ZWKOTPCHSA-N 2 2 336.439 2.202 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778179 794963466 /nfs/dbraw/zinc/96/34/66/794963466.db2.gz OBEFCMVZLIJQKW-DLBZAZTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778179 794963471 /nfs/dbraw/zinc/96/34/71/794963471.db2.gz OBEFCMVZLIJQKW-DLBZAZTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778180 794963583 /nfs/dbraw/zinc/96/35/83/794963583.db2.gz OBEFCMVZLIJQKW-IAGOWNOFSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778180 794963589 /nfs/dbraw/zinc/96/35/89/794963589.db2.gz OBEFCMVZLIJQKW-IAGOWNOFSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381346 795120681 /nfs/dbraw/zinc/12/06/81/795120681.db2.gz NPAWRTJGVAVSHA-SFHVURJKSA-N 2 2 328.460 2.231 20 30 EEEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381346 795120682 /nfs/dbraw/zinc/12/06/82/795120682.db2.gz NPAWRTJGVAVSHA-SFHVURJKSA-N 2 2 328.460 2.231 20 30 EEEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318956 795393731 /nfs/dbraw/zinc/39/37/31/795393731.db2.gz QBANCABGPBNEGB-GDBMZVCRSA-N 2 2 342.443 2.063 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171596804 796653718 /nfs/dbraw/zinc/65/37/18/796653718.db2.gz RSOAWVCHFNRFMI-HUUCEWRRSA-N 2 2 338.883 2.463 20 30 EEEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001112556467 806538826 /nfs/dbraw/zinc/53/88/26/806538826.db2.gz VLGOUFOUXQRGEW-RXVVDRJESA-N 2 2 348.450 2.337 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994207031 797388463 /nfs/dbraw/zinc/38/84/63/797388463.db2.gz IYROECKXDUUDGQ-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994207031 797388472 /nfs/dbraw/zinc/38/84/72/797388472.db2.gz IYROECKXDUUDGQ-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP CC#CC[NH+]1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001002000025 797447030 /nfs/dbraw/zinc/44/70/30/797447030.db2.gz KJJPYBKESSFVSA-UHFFFAOYSA-N 2 2 336.439 2.337 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001002053949 797533335 /nfs/dbraw/zinc/53/33/35/797533335.db2.gz VOTGCMGDJBISLI-UHFFFAOYSA-N 2 2 336.867 2.342 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)Cn1cc[nH+]c1 ZINC001176829856 798590477 /nfs/dbraw/zinc/59/04/77/798590477.db2.gz RUIILJCDHNZHBH-INIZCTEOSA-N 2 2 339.443 2.220 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180451716 800434856 /nfs/dbraw/zinc/43/48/56/800434856.db2.gz GZNPXBJJSNDEOD-UHFFFAOYSA-N 2 2 336.480 2.132 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001085783113 801255822 /nfs/dbraw/zinc/25/58/22/801255822.db2.gz NBASZTONQYXKBP-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001085783113 801255827 /nfs/dbraw/zinc/25/58/27/801255827.db2.gz NBASZTONQYXKBP-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001085783113 801255832 /nfs/dbraw/zinc/25/58/32/801255832.db2.gz NBASZTONQYXKBP-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001085783113 801255838 /nfs/dbraw/zinc/25/58/38/801255838.db2.gz NBASZTONQYXKBP-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001085783112 801256020 /nfs/dbraw/zinc/25/60/20/801256020.db2.gz NBASZTONQYXKBP-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001085783112 801256023 /nfs/dbraw/zinc/25/60/23/801256023.db2.gz NBASZTONQYXKBP-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001085783112 801256027 /nfs/dbraw/zinc/25/60/27/801256027.db2.gz NBASZTONQYXKBP-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001085783112 801256031 /nfs/dbraw/zinc/25/60/31/801256031.db2.gz NBASZTONQYXKBP-RBUKOAKNSA-N 2 2 349.519 2.129 20 30 EEEDLP CC(C)[N@@H+]1CC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001182869313 801379393 /nfs/dbraw/zinc/37/93/93/801379393.db2.gz LZHLZEJBHFINEA-SFHVURJKSA-N 2 2 340.471 2.144 20 30 EEEDLP CC(C)[N@H+]1CC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001182869313 801379399 /nfs/dbraw/zinc/37/93/99/801379399.db2.gz LZHLZEJBHFINEA-SFHVURJKSA-N 2 2 340.471 2.144 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184650935 802116263 /nfs/dbraw/zinc/11/62/63/802116263.db2.gz BFZZGMVJDTXOOC-HZPDHXFCSA-N 2 2 331.460 2.283 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529209 802323902 /nfs/dbraw/zinc/32/39/02/802323902.db2.gz RCIJMZOYIONMFK-MOPGFXCFSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529209 802323908 /nfs/dbraw/zinc/32/39/08/802323908.db2.gz RCIJMZOYIONMFK-MOPGFXCFSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004529209 802323917 /nfs/dbraw/zinc/32/39/17/802323917.db2.gz RCIJMZOYIONMFK-MOPGFXCFSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004529209 802323926 /nfs/dbraw/zinc/32/39/26/802323926.db2.gz RCIJMZOYIONMFK-MOPGFXCFSA-N 2 2 346.519 2.335 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541891 802335012 /nfs/dbraw/zinc/33/50/12/802335012.db2.gz LNYKYGQEPNCDMR-FUHWJXTLSA-N 2 2 340.471 2.166 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541891 802335022 /nfs/dbraw/zinc/33/50/22/802335022.db2.gz LNYKYGQEPNCDMR-FUHWJXTLSA-N 2 2 340.471 2.166 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108250110 802444523 /nfs/dbraw/zinc/44/45/23/802444523.db2.gz OYKLAJAVLNPKMZ-AEFFLSMTSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108250110 802444527 /nfs/dbraw/zinc/44/45/27/802444527.db2.gz OYKLAJAVLNPKMZ-AEFFLSMTSA-N 2 2 334.464 2.008 20 30 EEEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001108733192 804418445 /nfs/dbraw/zinc/41/84/45/804418445.db2.gz KSXLUOJNXPHQNH-QRFRQXIXSA-N 2 2 348.450 2.478 20 30 EEEDLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001438808620 1091420490 /nfs/dbraw/zinc/42/04/90/1091420490.db2.gz DXHJPMOAYVOKEZ-GOSISDBHSA-N 2 2 339.443 2.075 20 30 EEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001495923143 1101768152 /nfs/dbraw/zinc/76/81/52/1101768152.db2.gz BWFUCQGMGRKCHZ-CQSZACIVSA-N 2 2 336.867 2.217 20 30 EEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000105896638 529760546 /nfs/dbraw/zinc/76/05/46/529760546.db2.gz BUFKRDBMNPVRBT-QAPCUYQASA-N 2 2 331.464 2.137 20 30 EEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000105896638 529760547 /nfs/dbraw/zinc/76/05/47/529760547.db2.gz BUFKRDBMNPVRBT-QAPCUYQASA-N 2 2 331.464 2.137 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180943543 533493946 /nfs/dbraw/zinc/49/39/46/533493946.db2.gz VAAWBBZKVRPGOZ-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180943543 533493953 /nfs/dbraw/zinc/49/39/53/533493953.db2.gz VAAWBBZKVRPGOZ-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP COc1cc(C#N)ccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180943543 533493960 /nfs/dbraw/zinc/49/39/60/533493960.db2.gz VAAWBBZKVRPGOZ-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP COc1cc(C#N)ccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180943543 533493964 /nfs/dbraw/zinc/49/39/64/533493964.db2.gz VAAWBBZKVRPGOZ-UHFFFAOYSA-N 2 2 330.476 2.025 20 30 EEEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246864965 160297911 /nfs/dbraw/zinc/29/79/11/160297911.db2.gz PUNNDQNHHZVDFJ-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246864965 160297913 /nfs/dbraw/zinc/29/79/13/160297913.db2.gz PUNNDQNHHZVDFJ-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246864965 160297914 /nfs/dbraw/zinc/29/79/14/160297914.db2.gz PUNNDQNHHZVDFJ-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246864965 160297916 /nfs/dbraw/zinc/29/79/16/160297916.db2.gz PUNNDQNHHZVDFJ-LPHOPBHVSA-N 2 2 338.455 2.445 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncoc3C3CC3)CC2)CC1 ZINC000328784749 465127822 /nfs/dbraw/zinc/12/78/22/465127822.db2.gz NZMGKXLZXRKLPF-UHFFFAOYSA-N 2 2 332.448 2.415 20 30 EEEDLP N#CC1(CCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000590600293 468283352 /nfs/dbraw/zinc/28/33/52/468283352.db2.gz MVRTVBJYAUREIX-GOSISDBHSA-N 2 2 335.492 2.274 20 30 EEEDLP N#CC1(CCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000590600293 468283354 /nfs/dbraw/zinc/28/33/54/468283354.db2.gz MVRTVBJYAUREIX-GOSISDBHSA-N 2 2 335.492 2.274 20 30 EEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000568466325 468339706 /nfs/dbraw/zinc/33/97/06/468339706.db2.gz BKUAMWOPNBAFDM-RTBURBONSA-N 2 2 326.444 2.311 20 30 EEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000568466325 468339711 /nfs/dbraw/zinc/33/97/11/468339711.db2.gz BKUAMWOPNBAFDM-RTBURBONSA-N 2 2 326.444 2.311 20 30 EEEDLP C#CCOc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000041635207 463499151 /nfs/dbraw/zinc/49/91/51/463499151.db2.gz YZONJOBYHBVPCZ-UHFFFAOYSA-N 2 2 334.217 2.447 20 30 EEEDLP CCOC1CC(O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000278393298 463965116 /nfs/dbraw/zinc/96/51/16/463965116.db2.gz GATFHASSXCRERY-UHFFFAOYSA-N 2 2 343.471 2.042 20 30 EEEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H](COC)C1 ZINC000262448527 464025808 /nfs/dbraw/zinc/02/58/08/464025808.db2.gz JJJLWTAYFMTZPP-HNNXBMFYSA-N 2 2 345.422 2.055 20 30 EEEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311592 464037625 /nfs/dbraw/zinc/03/76/25/464037625.db2.gz OHUGNXCRCNZKQA-APWZRJJASA-N 2 2 340.471 2.001 20 30 EEEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311592 464037630 /nfs/dbraw/zinc/03/76/30/464037630.db2.gz OHUGNXCRCNZKQA-APWZRJJASA-N 2 2 340.471 2.001 20 30 EEEDLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182970607 464767594 /nfs/dbraw/zinc/76/75/94/464767594.db2.gz WILSLJARQLUYSJ-SFHVURJKSA-N 2 2 337.427 2.272 20 30 EEEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182970607 464767602 /nfs/dbraw/zinc/76/76/02/464767602.db2.gz WILSLJARQLUYSJ-SFHVURJKSA-N 2 2 337.427 2.272 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553282 465579382 /nfs/dbraw/zinc/57/93/82/465579382.db2.gz RHQSPPVPZJCLOW-CRAIPNDOSA-N 2 2 333.501 2.337 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553282 465579389 /nfs/dbraw/zinc/57/93/89/465579389.db2.gz RHQSPPVPZJCLOW-CRAIPNDOSA-N 2 2 333.501 2.337 20 30 EEEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341116014 466596333 /nfs/dbraw/zinc/59/63/33/466596333.db2.gz DDSJUDZWAODFKJ-YJBOKZPZSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341116014 466596340 /nfs/dbraw/zinc/59/63/40/466596340.db2.gz DDSJUDZWAODFKJ-YJBOKZPZSA-N 2 2 330.451 2.155 20 30 EEEDLP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449463725 467649296 /nfs/dbraw/zinc/64/92/96/467649296.db2.gz XKHLDICMRQWVAO-UYAOXDASSA-N 2 2 343.471 2.164 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000493626074 467951958 /nfs/dbraw/zinc/95/19/58/467951958.db2.gz PHLJNELOPHEFCC-SREVYHEPSA-N 2 2 335.411 2.029 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000493626074 467951960 /nfs/dbraw/zinc/95/19/60/467951960.db2.gz PHLJNELOPHEFCC-SREVYHEPSA-N 2 2 335.411 2.029 20 30 EEEDLP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](C#N)CCC#N)c2cccs2)CC1 ZINC000551683526 468246343 /nfs/dbraw/zinc/24/63/43/468246343.db2.gz NDIKYRBUSNCWCE-HZPDHXFCSA-N 2 2 331.489 2.070 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)CCO1 ZINC000562987252 469124847 /nfs/dbraw/zinc/12/48/47/469124847.db2.gz WXVBCYOMTWWXBT-APWZRJJASA-N 2 2 326.444 2.440 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)CCO1 ZINC000562987252 469124853 /nfs/dbraw/zinc/12/48/53/469124853.db2.gz WXVBCYOMTWWXBT-APWZRJJASA-N 2 2 326.444 2.440 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603910536 469444966 /nfs/dbraw/zinc/44/49/66/469444966.db2.gz SYGLQKYZGXRPBU-OKZBNKHCSA-N 2 2 340.471 2.090 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603910536 469444971 /nfs/dbraw/zinc/44/49/71/469444971.db2.gz SYGLQKYZGXRPBU-OKZBNKHCSA-N 2 2 340.471 2.090 20 30 EEEDLP C=CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661380697 471734039 /nfs/dbraw/zinc/73/40/39/471734039.db2.gz ITUJGBBMSRKSQB-KRWDZBQOSA-N 2 2 331.460 2.212 20 30 EEEDLP C=CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661380697 471734045 /nfs/dbraw/zinc/73/40/45/471734045.db2.gz ITUJGBBMSRKSQB-KRWDZBQOSA-N 2 2 331.460 2.212 20 30 EEEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000491739750 485495412 /nfs/dbraw/zinc/49/54/12/485495412.db2.gz SMLSKTXVKPCHGP-UHFFFAOYSA-N 2 2 345.491 2.040 20 30 EEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000491739750 485495422 /nfs/dbraw/zinc/49/54/22/485495422.db2.gz SMLSKTXVKPCHGP-UHFFFAOYSA-N 2 2 345.491 2.040 20 30 EEEDLP N#CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127955 577513560 /nfs/dbraw/zinc/51/35/60/577513560.db2.gz GGQAMJODDTUGTH-RTBURBONSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127955 577513561 /nfs/dbraw/zinc/51/35/61/577513561.db2.gz GGQAMJODDTUGTH-RTBURBONSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127955 577513562 /nfs/dbraw/zinc/51/35/62/577513562.db2.gz GGQAMJODDTUGTH-RTBURBONSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127955 577513563 /nfs/dbraw/zinc/51/35/63/577513563.db2.gz GGQAMJODDTUGTH-RTBURBONSA-N 2 2 340.471 2.003 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753935779 577796592 /nfs/dbraw/zinc/79/65/92/577796592.db2.gz PQVJZBUDBQRQDM-JLSDUUJJSA-N 2 2 340.475 2.139 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753935779 577796593 /nfs/dbraw/zinc/79/65/93/577796593.db2.gz PQVJZBUDBQRQDM-JLSDUUJJSA-N 2 2 340.475 2.139 20 30 EEEDLP CC(C)C[N@H+](CCC#N)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000755672425 577828940 /nfs/dbraw/zinc/82/89/40/577828940.db2.gz ZOPXXHGWIMGZSL-SFHVURJKSA-N 2 2 330.476 2.277 20 30 EEEDLP CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000755672425 577828941 /nfs/dbraw/zinc/82/89/41/577828941.db2.gz ZOPXXHGWIMGZSL-SFHVURJKSA-N 2 2 330.476 2.277 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2c2ccc(C)o2)CC1 ZINC000748821678 577967563 /nfs/dbraw/zinc/96/75/63/577967563.db2.gz UBLZBEMVBVCHLL-SFHVURJKSA-N 2 2 343.471 2.283 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(C)o2)CC1 ZINC000748821678 577967564 /nfs/dbraw/zinc/96/75/64/577967564.db2.gz UBLZBEMVBVCHLL-SFHVURJKSA-N 2 2 343.471 2.283 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000970326074 675790010 /nfs/dbraw/zinc/79/00/10/675790010.db2.gz NEWSBLZNOVDCQM-APWZRJJASA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000970326074 675790011 /nfs/dbraw/zinc/79/00/11/675790011.db2.gz NEWSBLZNOVDCQM-APWZRJJASA-N 2 2 349.519 2.033 20 30 EEEDLP 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CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297817 682411725 /nfs/dbraw/zinc/41/17/25/682411725.db2.gz QQPDPUUMPHCAQQ-RTBURBONSA-N 2 2 342.487 2.222 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297817 682411730 /nfs/dbraw/zinc/41/17/30/682411730.db2.gz QQPDPUUMPHCAQQ-RTBURBONSA-N 2 2 342.487 2.222 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015375037 683524797 /nfs/dbraw/zinc/52/47/97/683524797.db2.gz AXCHOCYMKMFAQJ-MRXNPFEDSA-N 2 2 335.879 2.347 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015375037 683524802 /nfs/dbraw/zinc/52/48/02/683524802.db2.gz AXCHOCYMKMFAQJ-MRXNPFEDSA-N 2 2 335.879 2.347 20 30 EEEDLP C[NH+]=C(NCc1ccco1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303403139 686783846 /nfs/dbraw/zinc/78/38/46/686783846.db2.gz NUJVWEXNMBRWCW-UHFFFAOYSA-N 2 2 327.363 2.470 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674429 687449139 /nfs/dbraw/zinc/44/91/39/687449139.db2.gz CLQUISKWXKJFHJ-UHFFFAOYSA-N 2 2 343.456 2.008 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674429 687449142 /nfs/dbraw/zinc/44/91/42/687449142.db2.gz CLQUISKWXKJFHJ-UHFFFAOYSA-N 2 2 343.456 2.008 20 30 EEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977415678 692599676 /nfs/dbraw/zinc/59/96/76/692599676.db2.gz SUXHVEBQRKZTLA-SFHVURJKSA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977415678 692599679 /nfs/dbraw/zinc/59/96/79/692599679.db2.gz SUXHVEBQRKZTLA-SFHVURJKSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943645553 1192435954 /nfs/dbraw/zinc/43/59/54/1192435954.db2.gz FGUNHIQOTYKYBB-SJLPKXTDSA-N 2 2 338.455 2.035 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943645553 1192435956 /nfs/dbraw/zinc/43/59/56/1192435956.db2.gz FGUNHIQOTYKYBB-SJLPKXTDSA-N 2 2 338.455 2.035 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944123482 1192897333 /nfs/dbraw/zinc/89/73/33/1192897333.db2.gz UTLFGCUIQWXYBU-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944123482 1192897335 /nfs/dbraw/zinc/89/73/35/1192897335.db2.gz UTLFGCUIQWXYBU-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089891822 1193053029 /nfs/dbraw/zinc/05/30/29/1193053029.db2.gz AQRXLIWVJNGMBB-BMFAXAFESA-N 2 2 342.487 2.396 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089891822 1193053031 /nfs/dbraw/zinc/05/30/31/1193053031.db2.gz AQRXLIWVJNGMBB-BMFAXAFESA-N 2 2 342.487 2.396 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001088368853 1186684678 /nfs/dbraw/zinc/68/46/78/1186684678.db2.gz UOIUACBIJYZVMM-MJGOQNOKSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001088368853 1186684681 /nfs/dbraw/zinc/68/46/81/1186684681.db2.gz UOIUACBIJYZVMM-MJGOQNOKSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076598233 1189028592 /nfs/dbraw/zinc/02/85/92/1189028592.db2.gz SKUWBQFYIVCDOU-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076598233 1189028599 /nfs/dbraw/zinc/02/85/99/1189028599.db2.gz SKUWBQFYIVCDOU-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076598233 1189028603 /nfs/dbraw/zinc/02/86/03/1189028603.db2.gz SKUWBQFYIVCDOU-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076598233 1189028605 /nfs/dbraw/zinc/02/86/05/1189028605.db2.gz SKUWBQFYIVCDOU-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP 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340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027971585 775438368 /nfs/dbraw/zinc/43/83/68/775438368.db2.gz HTHVDMZELVPLIC-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027971585 775438376 /nfs/dbraw/zinc/43/83/76/775438376.db2.gz HTHVDMZELVPLIC-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+](C)C1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCC1 ZINC000981323923 777171891 /nfs/dbraw/zinc/17/18/91/777171891.db2.gz AKXUEBQFFPYGEG-UHFFFAOYSA-N 2 2 346.500 2.138 20 30 EEEDLP C[NH+](C)C1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCC1 ZINC000981323923 777171895 /nfs/dbraw/zinc/17/18/95/777171895.db2.gz AKXUEBQFFPYGEG-UHFFFAOYSA-N 2 2 346.500 2.138 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089844804 777846311 /nfs/dbraw/zinc/84/63/11/777846311.db2.gz DQIOHZBAQZMGCG-HZMVEIRTSA-N 2 2 348.878 2.195 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089844804 777846325 /nfs/dbraw/zinc/84/63/25/777846325.db2.gz DQIOHZBAQZMGCG-HZMVEIRTSA-N 2 2 348.878 2.195 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@]2(C)C1 ZINC000982311859 779685086 /nfs/dbraw/zinc/68/50/86/779685086.db2.gz LYDSIFGMSIJBQC-AHRSYUTCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@]2(C)C1 ZINC000982311859 779685090 /nfs/dbraw/zinc/68/50/90/779685090.db2.gz LYDSIFGMSIJBQC-AHRSYUTCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087469721 781317599 /nfs/dbraw/zinc/31/75/99/781317599.db2.gz SUFCWCHXPQGYTL-RTBURBONSA-N 2 2 345.462 2.382 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087469721 781317604 /nfs/dbraw/zinc/31/76/04/781317604.db2.gz SUFCWCHXPQGYTL-RTBURBONSA-N 2 2 345.462 2.382 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001131821537 783279097 /nfs/dbraw/zinc/27/90/97/783279097.db2.gz BHVLOYSXWMALQR-KRWDZBQOSA-N 2 2 327.513 2.164 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001131821537 783279104 /nfs/dbraw/zinc/27/91/04/783279104.db2.gz BHVLOYSXWMALQR-KRWDZBQOSA-N 2 2 327.513 2.164 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737609 783870842 /nfs/dbraw/zinc/87/08/42/783870842.db2.gz QZVPJKCKODYBKY-RRFJBIMHSA-N 2 2 336.867 2.073 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170896463 785234730 /nfs/dbraw/zinc/23/47/30/785234730.db2.gz XDOKFYFIXLVIQW-MRXNPFEDSA-N 2 2 330.476 2.050 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991504934 789158352 /nfs/dbraw/zinc/15/83/52/789158352.db2.gz RKEUZPLIMKGADK-WMZOPIPTSA-N 2 2 332.448 2.039 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991504934 789158357 /nfs/dbraw/zinc/15/83/57/789158357.db2.gz RKEUZPLIMKGADK-WMZOPIPTSA-N 2 2 332.448 2.039 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054355 791898311 /nfs/dbraw/zinc/89/83/11/791898311.db2.gz WXHNCOOPMDAFHN-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054355 791898314 /nfs/dbraw/zinc/89/83/14/791898314.db2.gz WXHNCOOPMDAFHN-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C(F)(F)F ZINC000998265374 792385068 /nfs/dbraw/zinc/38/50/68/792385068.db2.gz HJWRHNZMBZPXFE-ZIAGYGMSSA-N 2 2 344.381 2.287 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998265374 792385075 /nfs/dbraw/zinc/38/50/75/792385075.db2.gz HJWRHNZMBZPXFE-ZIAGYGMSSA-N 2 2 344.381 2.287 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148695003 792632325 /nfs/dbraw/zinc/63/23/25/792632325.db2.gz MNIKQZJDXWFDPD-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148695003 792632329 /nfs/dbraw/zinc/63/23/29/792632329.db2.gz MNIKQZJDXWFDPD-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948357 793070094 /nfs/dbraw/zinc/07/00/94/793070094.db2.gz WTIBALGIBNGXAE-IRXDYDNUSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948357 793070107 /nfs/dbraw/zinc/07/01/07/793070107.db2.gz WTIBALGIBNGXAE-IRXDYDNUSA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@H]12 ZINC000992393117 793937022 /nfs/dbraw/zinc/93/70/22/793937022.db2.gz CDPPOPSSEIBZOS-ICSRJNTNSA-N 2 2 349.438 2.017 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@H]12 ZINC000992393117 793937029 /nfs/dbraw/zinc/93/70/29/793937029.db2.gz CDPPOPSSEIBZOS-ICSRJNTNSA-N 2 2 349.438 2.017 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092749037 794295816 /nfs/dbraw/zinc/29/58/16/794295816.db2.gz QQGOVSIJEDRZPA-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092749037 794295822 /nfs/dbraw/zinc/29/58/22/794295822.db2.gz QQGOVSIJEDRZPA-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092749037 794295826 /nfs/dbraw/zinc/29/58/26/794295826.db2.gz QQGOVSIJEDRZPA-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092749037 794295831 /nfs/dbraw/zinc/29/58/31/794295831.db2.gz QQGOVSIJEDRZPA-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC000992696394 795115935 /nfs/dbraw/zinc/11/59/35/795115935.db2.gz XKCFWNBKXYRRQX-OKZBNKHCSA-N 2 2 336.439 2.106 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310996 795868615 /nfs/dbraw/zinc/86/86/15/795868615.db2.gz MXTUVECDAFCLJV-FVQBIDKESA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310996 795868626 /nfs/dbraw/zinc/86/86/26/795868626.db2.gz MXTUVECDAFCLJV-FVQBIDKESA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310996 795868636 /nfs/dbraw/zinc/86/86/36/795868636.db2.gz MXTUVECDAFCLJV-FVQBIDKESA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310996 795868646 /nfs/dbraw/zinc/86/86/46/795868646.db2.gz MXTUVECDAFCLJV-FVQBIDKESA-N 2 2 327.900 2.297 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061541 796337806 /nfs/dbraw/zinc/33/78/06/796337806.db2.gz VWEJGQPNCXMPHQ-RDJZCZTQSA-N 2 2 345.512 2.099 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061541 796337811 /nfs/dbraw/zinc/33/78/11/796337811.db2.gz VWEJGQPNCXMPHQ-RDJZCZTQSA-N 2 2 345.512 2.099 20 30 EEEDLP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061541 796337818 /nfs/dbraw/zinc/33/78/18/796337818.db2.gz VWEJGQPNCXMPHQ-RDJZCZTQSA-N 2 2 345.512 2.099 20 30 EEEDLP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948061541 796337821 /nfs/dbraw/zinc/33/78/21/796337821.db2.gz VWEJGQPNCXMPHQ-RDJZCZTQSA-N 2 2 345.512 2.099 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094515285 796349390 /nfs/dbraw/zinc/34/93/90/796349390.db2.gz AODMCGXKOJWCAF-QQTQMKHKSA-N 2 2 342.487 2.461 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094515285 796349395 /nfs/dbraw/zinc/34/93/95/796349395.db2.gz AODMCGXKOJWCAF-QQTQMKHKSA-N 2 2 342.487 2.461 20 30 EEEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078766513 796957599 /nfs/dbraw/zinc/95/75/99/796957599.db2.gz FFMDVTVPKWLDIC-QZTJIDSGSA-N 2 2 334.423 2.136 20 30 EEEDLP Cc1[nH+]cn(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1CC[NH3+] ZINC001173423275 797442815 /nfs/dbraw/zinc/44/28/15/797442815.db2.gz IHZXQGMOJJJQTD-UHFFFAOYSA-N 2 2 337.427 2.042 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175703969 798216206 /nfs/dbraw/zinc/21/62/06/798216206.db2.gz OOYGRQSZCWZBJP-QGZVFWFLSA-N 2 2 340.471 2.473 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728745 798540562 /nfs/dbraw/zinc/54/05/62/798540562.db2.gz ORERNJVNWWCQKF-MRXNPFEDSA-N 2 2 347.528 2.394 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728745 798540565 /nfs/dbraw/zinc/54/05/65/798540565.db2.gz ORERNJVNWWCQKF-MRXNPFEDSA-N 2 2 347.528 2.394 20 30 EEEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586685 806700905 /nfs/dbraw/zinc/70/09/05/806700905.db2.gz LFTKUWGBNXDSSB-BJLQDIEVSA-N 2 2 342.487 2.089 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001032837173 799440695 /nfs/dbraw/zinc/44/06/95/799440695.db2.gz WGNLSGKTBSSWOT-RLLQIKCJSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001032837173 799440698 /nfs/dbraw/zinc/44/06/98/799440698.db2.gz WGNLSGKTBSSWOT-RLLQIKCJSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001032837173 799440704 /nfs/dbraw/zinc/44/07/04/799440704.db2.gz WGNLSGKTBSSWOT-RLLQIKCJSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001032837173 799440707 /nfs/dbraw/zinc/44/07/07/799440707.db2.gz WGNLSGKTBSSWOT-RLLQIKCJSA-N 2 2 339.483 2.344 20 30 EEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001179836459 800123629 /nfs/dbraw/zinc/12/36/29/800123629.db2.gz LHHXFWVRUMTBRU-HOCLYGCPSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001085206359 800240528 /nfs/dbraw/zinc/24/05/28/800240528.db2.gz NVWNAPRCKIUOPW-IAGOWNOFSA-N 2 2 330.476 2.355 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004428402 802031988 /nfs/dbraw/zinc/03/19/88/802031988.db2.gz YEUWPYQUXJYJAT-KRWDZBQOSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004428402 802031997 /nfs/dbraw/zinc/03/19/97/802031997.db2.gz YEUWPYQUXJYJAT-KRWDZBQOSA-N 2 2 328.460 2.069 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004475955 802176127 /nfs/dbraw/zinc/17/61/27/802176127.db2.gz VWDGFHCTCCZAOD-PKOBYXMFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004475955 802176129 /nfs/dbraw/zinc/17/61/29/802176129.db2.gz VWDGFHCTCCZAOD-PKOBYXMFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108250114 802444286 /nfs/dbraw/zinc/44/42/86/802444286.db2.gz OYKLAJAVLNPKMZ-SJLPKXTDSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108250114 802444288 /nfs/dbraw/zinc/44/42/88/802444288.db2.gz OYKLAJAVLNPKMZ-SJLPKXTDSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438600 803577487 /nfs/dbraw/zinc/57/74/87/803577487.db2.gz ZOEIRWQTKPDFFJ-HKUYNNGSSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438600 803577491 /nfs/dbraw/zinc/57/74/91/803577491.db2.gz ZOEIRWQTKPDFFJ-HKUYNNGSSA-N 2 2 348.491 2.225 20 30 EEEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001108790759 804511302 /nfs/dbraw/zinc/51/13/02/804511302.db2.gz IDBVSLRMPCUFAM-QRFRQXIXSA-N 2 2 348.450 2.478 20 30 EEEDLP CC(C)C[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001130001344 811069884 /nfs/dbraw/zinc/06/98/84/811069884.db2.gz LQVOCLDEESTRFA-INIZCTEOSA-N 2 2 345.472 2.309 20 30 EEEDLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438523690 1091016044 /nfs/dbraw/zinc/01/60/44/1091016044.db2.gz CWBAGYIUDZFZLM-GJZGRUSLSA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001438523690 1091016049 /nfs/dbraw/zinc/01/60/49/1091016049.db2.gz CWBAGYIUDZFZLM-GJZGRUSLSA-N 2 2 339.443 2.002 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001439414614 1092183905 /nfs/dbraw/zinc/18/39/05/1092183905.db2.gz CLRXZCCFBAYFIL-CABCVRRESA-N 2 2 338.883 2.370 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001441655335 1095616378 /nfs/dbraw/zinc/61/63/78/1095616378.db2.gz XVEXKIZRMHVAPD-INIZCTEOSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001441655335 1095616381 /nfs/dbraw/zinc/61/63/81/1095616381.db2.gz XVEXKIZRMHVAPD-INIZCTEOSA-N 2 2 327.900 2.442 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087606951 781930115 /nfs/dbraw/zinc/93/01/15/781930115.db2.gz BDWJTCGQAACWJT-OTWHNJEPSA-N 2 2 345.531 2.489 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087606951 781930122 /nfs/dbraw/zinc/93/01/22/781930122.db2.gz BDWJTCGQAACWJT-OTWHNJEPSA-N 2 2 345.531 2.489 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087606951 781930136 /nfs/dbraw/zinc/93/01/36/781930136.db2.gz BDWJTCGQAACWJT-OTWHNJEPSA-N 2 2 345.531 2.489 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087606951 781930149 /nfs/dbraw/zinc/93/01/49/781930149.db2.gz BDWJTCGQAACWJT-OTWHNJEPSA-N 2 2 345.531 2.489 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000083206522 283227210 /nfs/dbraw/zinc/22/72/10/283227210.db2.gz MTYPOHVNMHJLIH-KBPBESRZSA-N 2 2 341.440 2.328 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000083206522 283227215 /nfs/dbraw/zinc/22/72/15/283227215.db2.gz MTYPOHVNMHJLIH-KBPBESRZSA-N 2 2 341.440 2.328 20 30 EEEDLP Cc1nn(C)c(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)c1C#N ZINC000355158818 163098301 /nfs/dbraw/zinc/09/83/01/163098301.db2.gz HJILSSHRQIQYLR-UHFFFAOYSA-N 2 2 338.459 2.058 20 30 EEEDLP COc1nccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000449372035 270020846 /nfs/dbraw/zinc/02/08/46/270020846.db2.gz BMSOYOUSZFOEMO-UHFFFAOYSA-N 2 2 337.427 2.111 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000437136307 267315322 /nfs/dbraw/zinc/31/53/22/267315322.db2.gz UWJOYQVVCJOYLR-UHFFFAOYSA-N 2 2 339.386 2.048 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000437136307 267315324 /nfs/dbraw/zinc/31/53/24/267315324.db2.gz UWJOYQVVCJOYLR-UHFFFAOYSA-N 2 2 339.386 2.048 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266150817 268076441 /nfs/dbraw/zinc/07/64/41/268076441.db2.gz KMAMFRBNRNEVHN-APWZRJJASA-N 2 2 325.412 2.124 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266150817 268076446 /nfs/dbraw/zinc/07/64/46/268076446.db2.gz KMAMFRBNRNEVHN-APWZRJJASA-N 2 2 325.412 2.124 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000577121390 320234094 /nfs/dbraw/zinc/23/40/94/320234094.db2.gz LONBHIYLZAMUFL-WMZOPIPTSA-N 2 2 349.438 2.277 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000577121390 320234096 /nfs/dbraw/zinc/23/40/96/320234096.db2.gz LONBHIYLZAMUFL-WMZOPIPTSA-N 2 2 349.438 2.277 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000536069253 468340772 /nfs/dbraw/zinc/34/07/72/468340772.db2.gz XWKXPQPRWXHUSC-ZDUSSCGKSA-N 2 2 343.818 2.373 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000536069253 468340780 /nfs/dbraw/zinc/34/07/80/468340780.db2.gz XWKXPQPRWXHUSC-ZDUSSCGKSA-N 2 2 343.818 2.373 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000159614438 463295179 /nfs/dbraw/zinc/29/51/79/463295179.db2.gz BLORZYYNSAKEAX-SJORKVTESA-N 2 2 330.476 2.260 20 30 EEEDLP N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069803334 463327033 /nfs/dbraw/zinc/32/70/33/463327033.db2.gz VQAZPUGUGJYTCH-IBGZPJMESA-N 2 2 343.471 2.371 20 30 EEEDLP N#Cc1ccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069803334 463327045 /nfs/dbraw/zinc/32/70/45/463327045.db2.gz VQAZPUGUGJYTCH-IBGZPJMESA-N 2 2 343.471 2.371 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140351 463887330 /nfs/dbraw/zinc/88/73/30/463887330.db2.gz IYWMPTGHDVJVRT-HKUYNNGSSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140351 463887335 /nfs/dbraw/zinc/88/73/35/463887335.db2.gz IYWMPTGHDVJVRT-HKUYNNGSSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397147 463913684 /nfs/dbraw/zinc/91/36/84/463913684.db2.gz ZGDHVHQUAPTVJN-SJLPKXTDSA-N 2 2 326.444 2.080 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277397147 463913686 /nfs/dbraw/zinc/91/36/86/463913686.db2.gz ZGDHVHQUAPTVJN-SJLPKXTDSA-N 2 2 326.444 2.080 20 30 EEEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000281985415 464657912 /nfs/dbraw/zinc/65/79/12/464657912.db2.gz MKCZPXKSFBSUNV-LJQANCHMSA-N 2 2 327.472 2.370 20 30 EEEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000281985415 464657914 /nfs/dbraw/zinc/65/79/14/464657914.db2.gz MKCZPXKSFBSUNV-LJQANCHMSA-N 2 2 327.472 2.370 20 30 EEEDLP CN(Cc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367116871 466139370 /nfs/dbraw/zinc/13/93/70/466139370.db2.gz IYUMONBDJZRAFG-GOSISDBHSA-N 2 2 330.451 2.298 20 30 EEEDLP CN(Cc1ccc(C#N)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367116871 466139373 /nfs/dbraw/zinc/13/93/73/466139373.db2.gz IYUMONBDJZRAFG-GOSISDBHSA-N 2 2 330.451 2.298 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116871 466139375 /nfs/dbraw/zinc/13/93/75/466139375.db2.gz IYUMONBDJZRAFG-GOSISDBHSA-N 2 2 330.451 2.298 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116871 466139377 /nfs/dbraw/zinc/13/93/77/466139377.db2.gz IYUMONBDJZRAFG-GOSISDBHSA-N 2 2 330.451 2.298 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000488576786 468092652 /nfs/dbraw/zinc/09/26/52/468092652.db2.gz CPHYXPKYSJAEQD-IAGOWNOFSA-N 2 2 345.491 2.196 20 30 EEEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000601129080 468753821 /nfs/dbraw/zinc/75/38/21/468753821.db2.gz MQLIFEGQMZYHJD-MSOLQXFVSA-N 2 2 329.444 2.179 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506962 468880450 /nfs/dbraw/zinc/88/04/50/468880450.db2.gz JFNIHQVUZCRPTD-LJQANCHMSA-N 2 2 329.444 2.363 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506962 468880456 /nfs/dbraw/zinc/88/04/56/468880456.db2.gz JFNIHQVUZCRPTD-LJQANCHMSA-N 2 2 329.444 2.363 20 30 EEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506962 468880459 /nfs/dbraw/zinc/88/04/59/468880459.db2.gz JFNIHQVUZCRPTD-LJQANCHMSA-N 2 2 329.444 2.363 20 30 EEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506962 468880462 /nfs/dbraw/zinc/88/04/62/468880462.db2.gz JFNIHQVUZCRPTD-LJQANCHMSA-N 2 2 329.444 2.363 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)CCC[NH+]2C)cn1 ZINC000598608961 468930973 /nfs/dbraw/zinc/93/09/73/468930973.db2.gz WRXJGNZWZMGYHT-RYQLBKOJSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CCC[NH+]2C)cn1 ZINC000598608961 468930976 /nfs/dbraw/zinc/93/09/76/468930976.db2.gz WRXJGNZWZMGYHT-RYQLBKOJSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)CCC[N@@H+]2C)cn1 ZINC000598608961 468930978 /nfs/dbraw/zinc/93/09/78/468930978.db2.gz WRXJGNZWZMGYHT-RYQLBKOJSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)CCC[N@H+]2C)cn1 ZINC000598608961 468930980 /nfs/dbraw/zinc/93/09/80/468930980.db2.gz WRXJGNZWZMGYHT-RYQLBKOJSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cc(CCC[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000602704768 469021729 /nfs/dbraw/zinc/02/17/29/469021729.db2.gz IHWSZYXFGRJXRS-UHFFFAOYSA-N 2 2 337.471 2.479 20 30 EEEDLP C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564188581 469250277 /nfs/dbraw/zinc/25/02/77/469250277.db2.gz MSASPVZUESWUSV-KGLIPLIRSA-N 2 2 347.488 2.045 20 30 EEEDLP C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564188581 469250282 /nfs/dbraw/zinc/25/02/82/469250282.db2.gz MSASPVZUESWUSV-KGLIPLIRSA-N 2 2 347.488 2.045 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553279 469277217 /nfs/dbraw/zinc/27/72/17/469277217.db2.gz VVDIPBSFLHHBTN-MOPGFXCFSA-N 2 2 330.451 2.492 20 30 EEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553279 469277219 /nfs/dbraw/zinc/27/72/19/469277219.db2.gz VVDIPBSFLHHBTN-MOPGFXCFSA-N 2 2 330.451 2.492 20 30 EEEDLP C=C[C@@](C)(CCOC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194294 470230133 /nfs/dbraw/zinc/23/01/33/470230133.db2.gz RPHZNLUXXZBHGW-SFHVURJKSA-N 2 2 332.448 2.001 20 30 EEEDLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429247403 485693556 /nfs/dbraw/zinc/69/35/56/485693556.db2.gz JGVGTYQUROWAST-GOSISDBHSA-N 2 2 339.443 2.256 20 30 EEEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429247403 485693566 /nfs/dbraw/zinc/69/35/66/485693566.db2.gz JGVGTYQUROWAST-GOSISDBHSA-N 2 2 339.443 2.256 20 30 EEEDLP Cn1c[nH+]cc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000753118143 577781899 /nfs/dbraw/zinc/78/18/99/577781899.db2.gz OLFKDRVKRIFIDU-UHFFFAOYSA-N 2 2 329.360 2.479 20 30 EEEDLP CC(=[NH+]NC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cccc(N2CCOCC2)c1 ZINC000753936429 577796851 /nfs/dbraw/zinc/79/68/51/577796851.db2.gz SJHDIMSODOTBCX-ROUUACIJSA-N 2 2 341.459 2.107 20 30 EEEDLP C=C(C)C[N@H+](CC)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754000522 577798303 /nfs/dbraw/zinc/79/83/03/577798303.db2.gz OIETWOTXFULHND-LJQANCHMSA-N 2 2 347.503 2.076 20 30 EEEDLP C=C(C)C[N@@H+](CC)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754000522 577798304 /nfs/dbraw/zinc/79/83/04/577798304.db2.gz OIETWOTXFULHND-LJQANCHMSA-N 2 2 347.503 2.076 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@H](C)CC)CC1 ZINC000748810137 577967062 /nfs/dbraw/zinc/96/70/62/577967062.db2.gz QWEDTEKXBNYULR-GOSISDBHSA-N 2 2 327.472 2.065 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@H](C)CC)CC1 ZINC000748810137 577967063 /nfs/dbraw/zinc/96/70/63/577967063.db2.gz QWEDTEKXBNYULR-GOSISDBHSA-N 2 2 327.472 2.065 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001022287648 676797409 /nfs/dbraw/zinc/79/74/09/676797409.db2.gz OGXSQPIUCYZXOT-CALCHBBNSA-N 2 2 345.406 2.485 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189299 678372201 /nfs/dbraw/zinc/37/22/01/678372201.db2.gz OZQQRTPEFOSCON-CQSZACIVSA-N 2 2 325.840 2.240 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189299 678372203 /nfs/dbraw/zinc/37/22/03/678372203.db2.gz OZQQRTPEFOSCON-CQSZACIVSA-N 2 2 325.840 2.240 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339629 678569353 /nfs/dbraw/zinc/56/93/53/678569353.db2.gz OCYNFTXVQZIGPK-CABCVRRESA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339629 678569356 /nfs/dbraw/zinc/56/93/56/678569356.db2.gz OCYNFTXVQZIGPK-CABCVRRESA-N 2 2 336.867 2.039 20 30 EEEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000972440618 678745640 /nfs/dbraw/zinc/74/56/40/678745640.db2.gz HNXIPRRSPKCOPE-HXUWFJFHSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000972440618 678745643 /nfs/dbraw/zinc/74/56/43/678745643.db2.gz HNXIPRRSPKCOPE-HXUWFJFHSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000972440618 678745647 /nfs/dbraw/zinc/74/56/47/678745647.db2.gz HNXIPRRSPKCOPE-HXUWFJFHSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000972440618 678745651 /nfs/dbraw/zinc/74/56/51/678745651.db2.gz HNXIPRRSPKCOPE-HXUWFJFHSA-N 2 2 349.519 2.129 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858422 679825221 /nfs/dbraw/zinc/82/52/21/679825221.db2.gz YBLAISYLGDOTIN-CVEARBPZSA-N 2 2 346.500 2.041 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858422 679825223 /nfs/dbraw/zinc/82/52/23/679825223.db2.gz YBLAISYLGDOTIN-CVEARBPZSA-N 2 2 346.500 2.041 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858422 679825224 /nfs/dbraw/zinc/82/52/24/679825224.db2.gz YBLAISYLGDOTIN-CVEARBPZSA-N 2 2 346.500 2.041 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858422 679825226 /nfs/dbraw/zinc/82/52/26/679825226.db2.gz YBLAISYLGDOTIN-CVEARBPZSA-N 2 2 346.500 2.041 20 30 EEEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000972635997 679472228 /nfs/dbraw/zinc/47/22/28/679472228.db2.gz WKBKPUUXBSYIGS-AZUAARDMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000972635997 679472229 /nfs/dbraw/zinc/47/22/29/679472229.db2.gz WKBKPUUXBSYIGS-AZUAARDMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972635997 679472230 /nfs/dbraw/zinc/47/22/30/679472230.db2.gz WKBKPUUXBSYIGS-AZUAARDMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC000972635997 679472232 /nfs/dbraw/zinc/47/22/32/679472232.db2.gz WKBKPUUXBSYIGS-AZUAARDMSA-N 2 2 349.519 2.130 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236199 682280151 /nfs/dbraw/zinc/28/01/51/682280151.db2.gz DRBZNRRRNBTFGV-ZWKOTPCHSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236199 682280152 /nfs/dbraw/zinc/28/01/52/682280152.db2.gz DRBZNRRRNBTFGV-ZWKOTPCHSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236199 682280155 /nfs/dbraw/zinc/28/01/55/682280155.db2.gz DRBZNRRRNBTFGV-ZWKOTPCHSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236199 682280157 /nfs/dbraw/zinc/28/01/57/682280157.db2.gz DRBZNRRRNBTFGV-ZWKOTPCHSA-N 2 2 328.460 2.211 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289810 682401283 /nfs/dbraw/zinc/40/12/83/682401283.db2.gz SXGLQGRMJUCBFU-MSOLQXFVSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289810 682401286 /nfs/dbraw/zinc/40/12/86/682401286.db2.gz SXGLQGRMJUCBFU-MSOLQXFVSA-N 2 2 330.476 2.384 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025583473 683037921 /nfs/dbraw/zinc/03/79/21/683037921.db2.gz ZVZNYDVOCJVZMT-SJLPKXTDSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025583473 683037924 /nfs/dbraw/zinc/03/79/24/683037924.db2.gz ZVZNYDVOCJVZMT-SJLPKXTDSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001026294709 684211348 /nfs/dbraw/zinc/21/13/48/684211348.db2.gz USHVPVULNQCHEE-YESZJQIVSA-N 2 2 330.476 2.329 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990811863 693891033 /nfs/dbraw/zinc/89/10/33/693891033.db2.gz BDVDSNBKBOIZKL-YLJYHZDGSA-N 2 2 342.487 2.451 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990811863 693891039 /nfs/dbraw/zinc/89/10/39/693891039.db2.gz BDVDSNBKBOIZKL-YLJYHZDGSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985519392 687090056 /nfs/dbraw/zinc/09/00/56/687090056.db2.gz WOKPCWABPTUXSW-AWEZNQCLSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985519392 687090060 /nfs/dbraw/zinc/09/00/60/687090060.db2.gz WOKPCWABPTUXSW-AWEZNQCLSA-N 2 2 336.867 2.121 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000977421973 692612853 /nfs/dbraw/zinc/61/28/53/692612853.db2.gz QDOFTTOFPCHESO-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000977421973 692612859 /nfs/dbraw/zinc/61/28/59/692612859.db2.gz QDOFTTOFPCHESO-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001105522187 1188146384 /nfs/dbraw/zinc/14/63/84/1188146384.db2.gz CYPSLAULYATXDF-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001105522187 1188146389 /nfs/dbraw/zinc/14/63/89/1188146389.db2.gz CYPSLAULYATXDF-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364562 1194479059 /nfs/dbraw/zinc/47/90/59/1194479059.db2.gz FYFQTANSTLDVIE-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364562 1194479062 /nfs/dbraw/zinc/47/90/62/1194479062.db2.gz FYFQTANSTLDVIE-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033364562 1194479065 /nfs/dbraw/zinc/47/90/65/1194479065.db2.gz FYFQTANSTLDVIE-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033364562 1194479067 /nfs/dbraw/zinc/47/90/67/1194479067.db2.gz FYFQTANSTLDVIE-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938555 1195562561 /nfs/dbraw/zinc/56/25/61/1195562561.db2.gz YLFWLHQCDMHJAI-JYJNAYRXSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938555 1195562566 /nfs/dbraw/zinc/56/25/66/1195562566.db2.gz YLFWLHQCDMHJAI-JYJNAYRXSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033938555 1195562570 /nfs/dbraw/zinc/56/25/70/1195562570.db2.gz YLFWLHQCDMHJAI-JYJNAYRXSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033938555 1195562572 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HGPXVQSTNHQPFW-ZWKOTPCHSA-N 2 2 346.450 2.442 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095556487 1205873174 /nfs/dbraw/zinc/87/31/74/1205873174.db2.gz UJHJYZJAHUCNCC-OWSLCNJRSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095556487 1205873176 /nfs/dbraw/zinc/87/31/76/1205873176.db2.gz UJHJYZJAHUCNCC-OWSLCNJRSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095556487 1205873177 /nfs/dbraw/zinc/87/31/77/1205873177.db2.gz UJHJYZJAHUCNCC-OWSLCNJRSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095556487 1205873179 /nfs/dbraw/zinc/87/31/79/1205873179.db2.gz UJHJYZJAHUCNCC-OWSLCNJRSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001095556385 1205873300 /nfs/dbraw/zinc/87/33/00/1205873300.db2.gz 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QSEQGRKQCHXXNX-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039165999 1230387882 /nfs/dbraw/zinc/38/78/82/1230387882.db2.gz QSEQGRKQCHXXNX-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001039173990 1230399872 /nfs/dbraw/zinc/39/98/72/1230399872.db2.gz KKBQRARWWVARNY-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001039173990 1230399877 /nfs/dbraw/zinc/39/98/77/1230399877.db2.gz KKBQRARWWVARNY-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222631 1230453541 /nfs/dbraw/zinc/45/35/41/1230453541.db2.gz JPHMWBIPBIZDNU-IAGOWNOFSA-N 2 2 328.460 2.069 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222631 1230453543 /nfs/dbraw/zinc/45/35/43/1230453543.db2.gz JPHMWBIPBIZDNU-IAGOWNOFSA-N 2 2 328.460 2.069 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039430531 1230605404 /nfs/dbraw/zinc/60/54/04/1230605404.db2.gz IBTAOFLIVMYFLX-OWCLPIDISA-N 2 2 327.900 2.390 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039430531 1230605407 /nfs/dbraw/zinc/60/54/07/1230605407.db2.gz IBTAOFLIVMYFLX-OWCLPIDISA-N 2 2 327.900 2.390 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001039458096 1230624143 /nfs/dbraw/zinc/62/41/43/1230624143.db2.gz FNLVSXRXGTYZAR-DYXWJJEUSA-N 2 2 339.483 2.162 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001039458096 1230624146 /nfs/dbraw/zinc/62/41/46/1230624146.db2.gz FNLVSXRXGTYZAR-DYXWJJEUSA-N 2 2 339.483 2.162 20 30 EEEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260951 1231138565 /nfs/dbraw/zinc/13/85/65/1231138565.db2.gz JLRSFVXTJRBTHK-LJQANCHMSA-N 2 2 329.444 2.133 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260951 1231138566 /nfs/dbraw/zinc/13/85/66/1231138566.db2.gz JLRSFVXTJRBTHK-LJQANCHMSA-N 2 2 329.444 2.133 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042332963 1232032767 /nfs/dbraw/zinc/03/27/67/1232032767.db2.gz LVLYIZGEQPBUKI-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042332963 1232032769 /nfs/dbraw/zinc/03/27/69/1232032769.db2.gz LVLYIZGEQPBUKI-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001045948685 1234212499 /nfs/dbraw/zinc/21/24/99/1234212499.db2.gz PMZGOWRHLDGFJI-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001045948685 1234212502 /nfs/dbraw/zinc/21/25/02/1234212502.db2.gz PMZGOWRHLDGFJI-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001047247568 1235744360 /nfs/dbraw/zinc/74/43/60/1235744360.db2.gz KMUUDCBPGBKVCI-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049553635 1241390031 /nfs/dbraw/zinc/39/00/31/1241390031.db2.gz DJWVRDNZLHOAPE-BPQIPLTHSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049553635 1241390043 /nfs/dbraw/zinc/39/00/43/1241390043.db2.gz DJWVRDNZLHOAPE-BPQIPLTHSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557675 1241408372 /nfs/dbraw/zinc/40/83/72/1241408372.db2.gz JOZXTFRQEVMLRU-GVDBMIGSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557675 1241408378 /nfs/dbraw/zinc/40/83/78/1241408378.db2.gz JOZXTFRQEVMLRU-GVDBMIGSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049722998 1241997373 /nfs/dbraw/zinc/99/73/73/1241997373.db2.gz MREDCSISGIMJGZ-HRCADAONSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049722998 1241997380 /nfs/dbraw/zinc/99/73/80/1241997380.db2.gz MREDCSISGIMJGZ-HRCADAONSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049722998 1241997385 /nfs/dbraw/zinc/99/73/85/1241997385.db2.gz MREDCSISGIMJGZ-HRCADAONSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049722998 1241997391 /nfs/dbraw/zinc/99/73/91/1241997391.db2.gz MREDCSISGIMJGZ-HRCADAONSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073660461 1242614123 /nfs/dbraw/zinc/61/41/23/1242614123.db2.gz FQGXMHRCSUZLDS-MRXNPFEDSA-N 2 2 342.443 2.350 20 30 EEEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073660461 1242614136 /nfs/dbraw/zinc/61/41/36/1242614136.db2.gz FQGXMHRCSUZLDS-MRXNPFEDSA-N 2 2 342.443 2.350 20 30 EEEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001050917661 1244621996 /nfs/dbraw/zinc/62/19/96/1244621996.db2.gz NHBJSLHSHNQQDA-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001050917661 1244622004 /nfs/dbraw/zinc/62/20/04/1244622004.db2.gz NHBJSLHSHNQQDA-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001050917661 1244622010 /nfs/dbraw/zinc/62/20/10/1244622010.db2.gz NHBJSLHSHNQQDA-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001050917661 1244622017 /nfs/dbraw/zinc/62/20/17/1244622017.db2.gz NHBJSLHSHNQQDA-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001101550532 1245955698 /nfs/dbraw/zinc/95/56/98/1245955698.db2.gz NIPDDFZUOLHVLX-UHFFFAOYSA-N 2 2 344.503 2.414 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001054155402 1247551102 /nfs/dbraw/zinc/55/11/02/1247551102.db2.gz QGRTYOGJZXBBGT-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001054155402 1247551107 /nfs/dbraw/zinc/55/11/07/1247551107.db2.gz QGRTYOGJZXBBGT-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001052594738 1247631168 /nfs/dbraw/zinc/63/11/68/1247631168.db2.gz NFBHBCUBJJKCKO-MOPGFXCFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001052594738 1247631178 /nfs/dbraw/zinc/63/11/78/1247631178.db2.gz NFBHBCUBJJKCKO-MOPGFXCFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001052594738 1247631197 /nfs/dbraw/zinc/63/11/97/1247631197.db2.gz NFBHBCUBJJKCKO-MOPGFXCFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001052594738 1247631204 /nfs/dbraw/zinc/63/12/04/1247631204.db2.gz NFBHBCUBJJKCKO-MOPGFXCFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC001052651182 1247772475 /nfs/dbraw/zinc/77/24/75/1247772475.db2.gz DZJQOAWKLQYEPG-IEBWSBKVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC001052651182 1247772484 /nfs/dbraw/zinc/77/24/84/1247772484.db2.gz DZJQOAWKLQYEPG-IEBWSBKVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001052651182 1247772495 /nfs/dbraw/zinc/77/24/95/1247772495.db2.gz DZJQOAWKLQYEPG-IEBWSBKVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001052651182 1247772506 /nfs/dbraw/zinc/77/25/06/1247772506.db2.gz DZJQOAWKLQYEPG-IEBWSBKVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071829097 1254689942 /nfs/dbraw/zinc/68/99/42/1254689942.db2.gz ZJGLRPVTIDRZIL-HUUCEWRRSA-N 2 2 332.448 2.039 20 30 EEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[C@H]1C ZINC001071829097 1254689960 /nfs/dbraw/zinc/68/99/60/1254689960.db2.gz ZJGLRPVTIDRZIL-HUUCEWRRSA-N 2 2 332.448 2.039 20 30 EEEDLP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001196350068 1284017156 /nfs/dbraw/zinc/01/71/56/1284017156.db2.gz SCYBCRWOJAPJQZ-UHFFFAOYSA-N 2 2 341.499 2.303 20 30 EEEDLP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC001196350068 1284017167 /nfs/dbraw/zinc/01/71/67/1284017167.db2.gz SCYBCRWOJAPJQZ-UHFFFAOYSA-N 2 2 341.499 2.303 20 30 EEEDLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001196350068 1284017179 /nfs/dbraw/zinc/01/71/79/1284017179.db2.gz SCYBCRWOJAPJQZ-UHFFFAOYSA-N 2 2 341.499 2.303 20 30 EEEDLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001196350068 1284017185 /nfs/dbraw/zinc/01/71/85/1284017185.db2.gz SCYBCRWOJAPJQZ-UHFFFAOYSA-N 2 2 341.499 2.303 20 30 EEEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 ZINC001198021239 1284944133 /nfs/dbraw/zinc/94/41/33/1284944133.db2.gz IBRRKRFZPXZXSA-ROUUACIJSA-N 2 2 346.450 2.146 20 30 EEEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 ZINC001198021239 1284944143 /nfs/dbraw/zinc/94/41/43/1284944143.db2.gz IBRRKRFZPXZXSA-ROUUACIJSA-N 2 2 346.450 2.146 20 30 EEEDLP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC001072081739 1295204489 /nfs/dbraw/zinc/20/44/89/1295204489.db2.gz RIXKDGLCCNJBNF-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC001072081739 1295204496 /nfs/dbraw/zinc/20/44/96/1295204496.db2.gz RIXKDGLCCNJBNF-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219270327 1297969918 /nfs/dbraw/zinc/96/99/18/1297969918.db2.gz FITORTCFYGPRNW-QGZVFWFLSA-N 2 2 331.379 2.457 20 30 EEEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942528 1299213971 /nfs/dbraw/zinc/21/39/71/1299213971.db2.gz ONDNSBOIUMQHCE-VAMGGRTRSA-N 2 2 339.483 2.235 20 30 EEEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942528 1299213983 /nfs/dbraw/zinc/21/39/83/1299213983.db2.gz ONDNSBOIUMQHCE-VAMGGRTRSA-N 2 2 339.483 2.235 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942528 1299214013 /nfs/dbraw/zinc/21/40/13/1299214013.db2.gz ONDNSBOIUMQHCE-VAMGGRTRSA-N 2 2 339.483 2.235 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784704 1303882845 /nfs/dbraw/zinc/88/28/45/1303882845.db2.gz YLFCVGKNBFYZDT-BJLQDIEVSA-N 2 2 342.487 2.464 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784704 1303882849 /nfs/dbraw/zinc/88/28/49/1303882849.db2.gz YLFCVGKNBFYZDT-BJLQDIEVSA-N 2 2 342.487 2.464 20 30 EEEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001140974041 1315000540 /nfs/dbraw/zinc/00/05/40/1315000540.db2.gz PPIWOHJDAAINQR-GOSISDBHSA-N 2 2 343.496 2.213 20 30 EEEDLP C=CCONC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000838708980 1315184634 /nfs/dbraw/zinc/18/46/34/1315184634.db2.gz LGKWYHWHVPYBBT-SJORKVTESA-N 2 2 338.496 2.083 20 30 EEEDLP C=CCONC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000838708980 1315184638 /nfs/dbraw/zinc/18/46/38/1315184638.db2.gz LGKWYHWHVPYBBT-SJORKVTESA-N 2 2 338.496 2.083 20 30 EEEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001151352138 1316511200 /nfs/dbraw/zinc/51/12/00/1316511200.db2.gz QHIZWCLTXBHXAX-QGZVFWFLSA-N 2 2 348.491 2.398 20 30 EEEDLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001157256211 1318527040 /nfs/dbraw/zinc/52/70/40/1318527040.db2.gz HMLVBRPVHRKRJY-UHFFFAOYSA-N 2 2 344.846 2.143 20 30 EEEDLP N#Cc1c(Cl)cc(Cl)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158268876 1319127646 /nfs/dbraw/zinc/12/76/46/1319127646.db2.gz NMVTZPDBVODRKJ-JTQLQIEISA-N 2 2 340.258 2.262 20 30 EEEDLP N#Cc1c(Cl)cc(Cl)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158268876 1319127658 /nfs/dbraw/zinc/12/76/58/1319127658.db2.gz NMVTZPDBVODRKJ-JTQLQIEISA-N 2 2 340.258 2.262 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC=C(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001161327942 1320459417 /nfs/dbraw/zinc/45/94/17/1320459417.db2.gz CPKJOBDUMRQVPO-UHFFFAOYSA-N 2 2 349.438 2.162 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC=C(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001161327942 1320459419 /nfs/dbraw/zinc/45/94/19/1320459419.db2.gz CPKJOBDUMRQVPO-UHFFFAOYSA-N 2 2 349.438 2.162 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959292 1320696463 /nfs/dbraw/zinc/69/64/63/1320696463.db2.gz NJZDXBBLVMVNCC-LJQANCHMSA-N 2 2 342.487 2.399 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001161959292 1320696468 /nfs/dbraw/zinc/69/64/68/1320696468.db2.gz NJZDXBBLVMVNCC-LJQANCHMSA-N 2 2 342.487 2.399 20 30 EEEDLP C[NH+](C)C1(CNc2ccc(C(F)(F)F)c(C#N)n2)CC[NH+](C)CC1 ZINC001164207469 1321317293 /nfs/dbraw/zinc/31/72/93/1321317293.db2.gz XKWQUCCFUCDLSH-UHFFFAOYSA-N 2 2 341.381 2.410 20 30 EEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203950105 1321996490 /nfs/dbraw/zinc/99/64/90/1321996490.db2.gz IEBDILMTGIGFGY-GOSISDBHSA-N 2 2 330.476 2.231 20 30 EEEDLP C[NH+](C)CC1(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CCCC1 ZINC001208186177 1324349766 /nfs/dbraw/zinc/34/97/66/1324349766.db2.gz OECWVRMZLRPZNU-UHFFFAOYSA-N 2 2 327.476 2.197 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001208737974 1324645339 /nfs/dbraw/zinc/64/53/39/1324645339.db2.gz FOIHQSZHZNETAA-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001208737974 1324645343 /nfs/dbraw/zinc/64/53/43/1324645343.db2.gz FOIHQSZHZNETAA-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001340263746 1337148395 /nfs/dbraw/zinc/14/83/95/1337148395.db2.gz HLNQEVDDJNMYKM-OAHLLOKOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001340263746 1337148397 /nfs/dbraw/zinc/14/83/97/1337148397.db2.gz HLNQEVDDJNMYKM-OAHLLOKOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001340263746 1337148400 /nfs/dbraw/zinc/14/84/00/1337148400.db2.gz HLNQEVDDJNMYKM-OAHLLOKOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001340263746 1337148402 /nfs/dbraw/zinc/14/84/02/1337148402.db2.gz HLNQEVDDJNMYKM-OAHLLOKOSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC001341613188 1337295515 /nfs/dbraw/zinc/29/55/15/1337295515.db2.gz FMTZMZANRXJNKX-KRWDZBQOSA-N 2 2 331.460 2.449 20 30 EEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001374163428 1376602947 /nfs/dbraw/zinc/60/29/47/1376602947.db2.gz NWMILSLKAQXTFG-AWEZNQCLSA-N 2 2 336.867 2.217 20 30 EEEDLP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001754326422 1406897824 /nfs/dbraw/zinc/89/78/24/1406897824.db2.gz JRXGONKXMHZPEN-ZWKOTPCHSA-N 2 2 338.455 2.322 20 30 EEEDLP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001754326422 1406897828 /nfs/dbraw/zinc/89/78/28/1406897828.db2.gz JRXGONKXMHZPEN-ZWKOTPCHSA-N 2 2 338.455 2.322 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001755205202 1407219163 /nfs/dbraw/zinc/21/91/63/1407219163.db2.gz QJTSNLAFCPBFEC-OALUTQOASA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001755205202 1407219175 /nfs/dbraw/zinc/21/91/75/1407219175.db2.gz QJTSNLAFCPBFEC-OALUTQOASA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)s1 ZINC001731609438 1405873435 /nfs/dbraw/zinc/87/34/35/1405873435.db2.gz WGDBIGUPWIOZGQ-LBPRGKRZSA-N 2 2 339.424 2.176 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001122255453 1410268463 /nfs/dbraw/zinc/26/84/63/1410268463.db2.gz WXBBRMNZZVWTDO-WZXTXQKWSA-N 2 2 342.487 2.277 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461394 760930136 /nfs/dbraw/zinc/93/01/36/760930136.db2.gz FNSJIIMIJFODGC-SFHVURJKSA-N 2 2 342.487 2.247 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461394 760930139 /nfs/dbraw/zinc/93/01/39/760930139.db2.gz FNSJIIMIJFODGC-SFHVURJKSA-N 2 2 342.487 2.247 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089661228 774076123 /nfs/dbraw/zinc/07/61/23/774076123.db2.gz UQYJIDRHSXSHFO-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089661228 774076128 /nfs/dbraw/zinc/07/61/28/774076128.db2.gz UQYJIDRHSXSHFO-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001027897339 774128351 /nfs/dbraw/zinc/12/83/51/774128351.db2.gz LEYDDASJUOCFEF-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001027897339 774128355 /nfs/dbraw/zinc/12/83/55/774128355.db2.gz LEYDDASJUOCFEF-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897339 774128357 /nfs/dbraw/zinc/12/83/57/774128357.db2.gz LEYDDASJUOCFEF-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897339 774128361 /nfs/dbraw/zinc/12/83/61/774128361.db2.gz LEYDDASJUOCFEF-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334902 790649911 /nfs/dbraw/zinc/64/99/11/790649911.db2.gz VCWTUMABCJBBNE-CVEARBPZSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334902 790649918 /nfs/dbraw/zinc/64/99/18/790649918.db2.gz VCWTUMABCJBBNE-CVEARBPZSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@]2(C)C1 ZINC000982319340 779704153 /nfs/dbraw/zinc/70/41/53/779704153.db2.gz LSAWYLQDXMGIGJ-KDURUIRLSA-N 2 2 346.475 2.096 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@]2(C)C1 ZINC000982319340 779704154 /nfs/dbraw/zinc/70/41/54/779704154.db2.gz LSAWYLQDXMGIGJ-KDURUIRLSA-N 2 2 346.475 2.096 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028257513 779712066 /nfs/dbraw/zinc/71/20/66/779712066.db2.gz BIQWIAXDDYAUAQ-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028257513 779712071 /nfs/dbraw/zinc/71/20/71/779712071.db2.gz BIQWIAXDDYAUAQ-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135773939 784401032 /nfs/dbraw/zinc/40/10/32/784401032.db2.gz CSBWKDFLWGAOGY-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799081 784464635 /nfs/dbraw/zinc/46/46/35/784464635.db2.gz RFLCWCSMUIPETC-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991450733 788821611 /nfs/dbraw/zinc/82/16/11/788821611.db2.gz YCQHCZZLKQZIDT-TXPKVOOTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991450733 788821621 /nfs/dbraw/zinc/82/16/21/788821621.db2.gz YCQHCZZLKQZIDT-TXPKVOOTSA-N 2 2 328.460 2.135 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+](C)C ZINC001109733216 805911721 /nfs/dbraw/zinc/91/17/21/805911721.db2.gz IGCPYKGJGBYWMA-XWSJACJDSA-N 2 2 340.471 2.120 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+](C)C ZINC001109733216 805911727 /nfs/dbraw/zinc/91/17/27/805911727.db2.gz IGCPYKGJGBYWMA-XWSJACJDSA-N 2 2 340.471 2.120 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991469378 789008523 /nfs/dbraw/zinc/00/85/23/789008523.db2.gz GDJBIICJDSNALV-FRQCXROJSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991469378 789008525 /nfs/dbraw/zinc/00/85/25/789008525.db2.gz GDJBIICJDSNALV-FRQCXROJSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091690096 792275712 /nfs/dbraw/zinc/27/57/12/792275712.db2.gz HGYHUSXUZNOLKR-UZLBHIALSA-N 2 2 342.487 2.118 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091690096 792275720 /nfs/dbraw/zinc/27/57/20/792275720.db2.gz HGYHUSXUZNOLKR-UZLBHIALSA-N 2 2 342.487 2.118 20 30 EEEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992388844 793913731 /nfs/dbraw/zinc/91/37/31/793913731.db2.gz DWVUJUOWHQJHOG-AZUAARDMSA-N 2 2 349.438 2.017 20 30 EEEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992388844 793913737 /nfs/dbraw/zinc/91/37/37/793913737.db2.gz DWVUJUOWHQJHOG-AZUAARDMSA-N 2 2 349.438 2.017 20 30 EEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000999637470 794713365 /nfs/dbraw/zinc/71/33/65/794713365.db2.gz LPJXYJYGWHBBDB-UHFFFAOYSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000999684158 794836898 /nfs/dbraw/zinc/83/68/98/794836898.db2.gz GUNAKIHLMCNUMF-UHFFFAOYSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@@H]21 ZINC001036841683 795423511 /nfs/dbraw/zinc/42/35/11/795423511.db2.gz BPPSKXVSALLHHZ-AEFFLSMTSA-N 2 2 338.455 2.294 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@@H]21 ZINC001036841683 795423517 /nfs/dbraw/zinc/42/35/17/795423517.db2.gz BPPSKXVSALLHHZ-AEFFLSMTSA-N 2 2 338.455 2.294 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882439 796329008 /nfs/dbraw/zinc/32/90/08/796329008.db2.gz LYFFVCFXJQVYSJ-GDBMZVCRSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882439 796329010 /nfs/dbraw/zinc/32/90/10/796329010.db2.gz LYFFVCFXJQVYSJ-GDBMZVCRSA-N 2 2 336.867 2.028 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094515308 796349148 /nfs/dbraw/zinc/34/91/48/796349148.db2.gz CCADKAJRWGNQOT-QQTQMKHKSA-N 2 2 342.487 2.461 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094515308 796349154 /nfs/dbraw/zinc/34/91/54/796349154.db2.gz CCADKAJRWGNQOT-QQTQMKHKSA-N 2 2 342.487 2.461 20 30 EEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001171922966 796810848 /nfs/dbraw/zinc/81/08/48/796810848.db2.gz CLIIUOSJPDAQTJ-MSOLQXFVSA-N 2 2 339.524 2.328 20 30 EEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001171922966 796810850 /nfs/dbraw/zinc/81/08/50/796810850.db2.gz CLIIUOSJPDAQTJ-MSOLQXFVSA-N 2 2 339.524 2.328 20 30 EEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175719070 798205093 /nfs/dbraw/zinc/20/50/93/798205093.db2.gz CWMWQWRJPINVTI-INIZCTEOSA-N 2 2 326.444 2.083 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768579 798444287 /nfs/dbraw/zinc/44/42/87/798444287.db2.gz STWPIPYBHOTGDT-POAQFYNOSA-N 2 2 327.472 2.182 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768579 798444289 /nfs/dbraw/zinc/44/42/89/798444289.db2.gz STWPIPYBHOTGDT-POAQFYNOSA-N 2 2 327.472 2.182 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176974003 798667703 /nfs/dbraw/zinc/66/77/03/798667703.db2.gz QWAKIETXZCRGSJ-SJORKVTESA-N 2 2 328.460 2.065 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176974003 798667706 /nfs/dbraw/zinc/66/77/06/798667706.db2.gz QWAKIETXZCRGSJ-SJORKVTESA-N 2 2 328.460 2.065 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086408907 802910011 /nfs/dbraw/zinc/91/00/11/802910011.db2.gz YZEOCDARPKAUNT-MGPQQGTHSA-N 2 2 336.867 2.060 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086408907 802910013 /nfs/dbraw/zinc/91/00/13/802910013.db2.gz YZEOCDARPKAUNT-MGPQQGTHSA-N 2 2 336.867 2.060 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1CC ZINC001087607180 781929983 /nfs/dbraw/zinc/92/99/83/781929983.db2.gz PKDHAFMIJSBPSU-KSZLIROESA-N 2 2 345.512 2.315 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1CC ZINC001087607180 781929993 /nfs/dbraw/zinc/92/99/93/781929993.db2.gz PKDHAFMIJSBPSU-KSZLIROESA-N 2 2 345.512 2.315 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1CC ZINC001087607180 781930003 /nfs/dbraw/zinc/93/00/03/781930003.db2.gz PKDHAFMIJSBPSU-KSZLIROESA-N 2 2 345.512 2.315 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1CC ZINC001087607180 781930012 /nfs/dbraw/zinc/93/00/12/781930012.db2.gz PKDHAFMIJSBPSU-KSZLIROESA-N 2 2 345.512 2.315 20 30 EEEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000442791864 242115001 /nfs/dbraw/zinc/11/50/01/242115001.db2.gz OMMLXXHUMBOXIK-WMZOPIPTSA-N 2 2 329.444 2.179 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cnc12 ZINC000521625129 268318423 /nfs/dbraw/zinc/31/84/23/268318423.db2.gz HIXXSGLWRNJDDS-UHFFFAOYSA-N 2 2 338.459 2.488 20 30 EEEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536372609 317994794 /nfs/dbraw/zinc/99/47/94/317994794.db2.gz ZEQBXQGGMHXVQV-UHFFFAOYSA-N 2 2 335.411 2.468 20 30 EEEDLP C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000337177221 465230177 /nfs/dbraw/zinc/23/01/77/465230177.db2.gz JHMOVFIWZGARKD-OALUTQOASA-N 2 2 348.535 2.045 20 30 EEEDLP C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000337177221 465230182 /nfs/dbraw/zinc/23/01/82/465230182.db2.gz JHMOVFIWZGARKD-OALUTQOASA-N 2 2 348.535 2.045 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC000329095982 465232688 /nfs/dbraw/zinc/23/26/88/465232688.db2.gz LACBWNVRMYYEON-BBRMVZONSA-N 2 2 325.372 2.293 20 30 EEEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329294555 465292041 /nfs/dbraw/zinc/29/20/41/465292041.db2.gz SCXHXUFWNORQRP-PMPSAXMXSA-N 2 2 331.464 2.233 20 30 EEEDLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329314613 465297067 /nfs/dbraw/zinc/29/70/67/465297067.db2.gz RUFKNNKPNUSCAV-OAHLLOKOSA-N 2 2 327.432 2.166 20 30 EEEDLP Cc1cc(CO)cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000590571521 468276167 /nfs/dbraw/zinc/27/61/67/468276167.db2.gz DPMCDZMJASGHSW-UHFFFAOYSA-N 2 2 336.439 2.466 20 30 EEEDLP Cc1cc(CO)cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000590571521 468276170 /nfs/dbraw/zinc/27/61/70/468276170.db2.gz DPMCDZMJASGHSW-UHFFFAOYSA-N 2 2 336.439 2.466 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccccc1C ZINC000087189210 462595071 /nfs/dbraw/zinc/59/50/71/462595071.db2.gz HWFBEXNUQPBRLC-CQSZACIVSA-N 2 2 328.464 2.221 20 30 EEEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000104166575 463409614 /nfs/dbraw/zinc/40/96/14/463409614.db2.gz NOBBYQDUGMEECH-CZUORRHYSA-N 2 2 338.883 2.416 20 30 EEEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000261659900 463819560 /nfs/dbraw/zinc/81/95/60/463819560.db2.gz FUVPIFLUHMMNNW-ZACQAIPSSA-N 2 2 330.476 2.301 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285687720 464659210 /nfs/dbraw/zinc/65/92/10/464659210.db2.gz OGXYMKNRRIYBNH-MRXNPFEDSA-N 2 2 334.464 2.041 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285687720 464659217 /nfs/dbraw/zinc/65/92/17/464659217.db2.gz OGXYMKNRRIYBNH-MRXNPFEDSA-N 2 2 334.464 2.041 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285687720 464659222 /nfs/dbraw/zinc/65/92/22/464659222.db2.gz OGXYMKNRRIYBNH-MRXNPFEDSA-N 2 2 334.464 2.041 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285687720 464659227 /nfs/dbraw/zinc/65/92/27/464659227.db2.gz OGXYMKNRRIYBNH-MRXNPFEDSA-N 2 2 334.464 2.041 20 30 EEEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000285740016 464677462 /nfs/dbraw/zinc/67/74/62/464677462.db2.gz YCGNTKOGKMBZEX-FPOVZHCZSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000285740016 464677465 /nfs/dbraw/zinc/67/74/65/464677465.db2.gz YCGNTKOGKMBZEX-FPOVZHCZSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740016 464677468 /nfs/dbraw/zinc/67/74/68/464677468.db2.gz YCGNTKOGKMBZEX-FPOVZHCZSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740016 464677470 /nfs/dbraw/zinc/67/74/70/464677470.db2.gz YCGNTKOGKMBZEX-FPOVZHCZSA-N 2 2 339.483 2.371 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000272620836 464681229 /nfs/dbraw/zinc/68/12/29/464681229.db2.gz YFEDXNNMTFKCSD-NEWSRXKRSA-N 2 2 338.455 2.270 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000272620836 464681232 /nfs/dbraw/zinc/68/12/32/464681232.db2.gz YFEDXNNMTFKCSD-NEWSRXKRSA-N 2 2 338.455 2.270 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272821505 464690122 /nfs/dbraw/zinc/69/01/22/464690122.db2.gz FXWHQGBEDUZDPW-WMZOPIPTSA-N 2 2 336.501 2.230 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272821505 464690128 /nfs/dbraw/zinc/69/01/28/464690128.db2.gz FXWHQGBEDUZDPW-WMZOPIPTSA-N 2 2 336.501 2.230 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247983925 464720577 /nfs/dbraw/zinc/72/05/77/464720577.db2.gz IQSLBKTXUHBIHX-YSIASYRMSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247983925 464720583 /nfs/dbraw/zinc/72/05/83/464720583.db2.gz IQSLBKTXUHBIHX-YSIASYRMSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247983925 464720589 /nfs/dbraw/zinc/72/05/89/464720589.db2.gz IQSLBKTXUHBIHX-YSIASYRMSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247983925 464720595 /nfs/dbraw/zinc/72/05/95/464720595.db2.gz IQSLBKTXUHBIHX-YSIASYRMSA-N 2 2 339.483 2.111 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(C#N)ccc3[N+](=O)[O-])C2)CC1 ZINC000372944661 466644658 /nfs/dbraw/zinc/64/46/58/466644658.db2.gz BKCIECNWQBITBI-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(C#N)ccc3[N+](=O)[O-])C2)CC1 ZINC000372944661 466644660 /nfs/dbraw/zinc/64/46/60/466644660.db2.gz BKCIECNWQBITBI-CQSZACIVSA-N 2 2 329.404 2.047 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458807549 467902948 /nfs/dbraw/zinc/90/29/48/467902948.db2.gz GAGUOXWACSSYQL-MRXNPFEDSA-N 2 2 336.524 2.399 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458807549 467902950 /nfs/dbraw/zinc/90/29/50/467902950.db2.gz GAGUOXWACSSYQL-MRXNPFEDSA-N 2 2 336.524 2.399 20 30 EEEDLP C=C(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1ccc(F)c(F)c1 ZINC000566415793 468150863 /nfs/dbraw/zinc/15/08/63/468150863.db2.gz FRXCQRLHJOCZEB-RHSMWYFYSA-N 2 2 328.403 2.111 20 30 EEEDLP C=C(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1ccc(F)c(F)c1 ZINC000566415793 468150869 /nfs/dbraw/zinc/15/08/69/468150869.db2.gz FRXCQRLHJOCZEB-RHSMWYFYSA-N 2 2 328.403 2.111 20 30 EEEDLP C=CCc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc(OC)c1O ZINC000582941484 468618012 /nfs/dbraw/zinc/61/80/12/468618012.db2.gz HWMQOYQUBTXXSL-UHFFFAOYSA-N 2 2 334.460 2.066 20 30 EEEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)CC1 ZINC000601808946 469035195 /nfs/dbraw/zinc/03/51/95/469035195.db2.gz XXTRGRQDXIIFJU-IBGZPJMESA-N 2 2 339.443 2.246 20 30 EEEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C[N@@H+]1Cc1ccccc1 ZINC000753933168 577796489 /nfs/dbraw/zinc/79/64/89/577796489.db2.gz BOMNTRDFQRKDFG-ZTFGCOKTSA-N 2 2 325.460 2.497 20 30 EEEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C[N@H+]1Cc1ccccc1 ZINC000753933168 577796490 /nfs/dbraw/zinc/79/64/90/577796490.db2.gz BOMNTRDFQRKDFG-ZTFGCOKTSA-N 2 2 325.460 2.497 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238318 676245214 /nfs/dbraw/zinc/24/52/14/676245214.db2.gz NBWWOCOQJDFUML-ZBFHGGJFSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238318 676245215 /nfs/dbraw/zinc/24/52/15/676245215.db2.gz 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C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516779 680023018 /nfs/dbraw/zinc/02/30/18/680023018.db2.gz NPKKWZDGFSXFPS-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516779 680023025 /nfs/dbraw/zinc/02/30/25/680023025.db2.gz NPKKWZDGFSXFPS-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001028605703 681361216 /nfs/dbraw/zinc/36/12/16/681361216.db2.gz DCWLHZNASSZGKU-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001028605703 681361221 /nfs/dbraw/zinc/36/12/21/681361221.db2.gz DCWLHZNASSZGKU-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001028605703 681361225 /nfs/dbraw/zinc/36/12/25/681361225.db2.gz DCWLHZNASSZGKU-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP 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C=CCCC[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230384408 1303187056 /nfs/dbraw/zinc/18/70/56/1303187056.db2.gz HJADBQUGXIKPKW-SFHVURJKSA-N 2 2 330.476 2.231 20 30 EEEDLP C[NH+](C)CC1(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)CCCC1 ZINC001278075172 1305873465 /nfs/dbraw/zinc/87/34/65/1305873465.db2.gz ZRPMAHSZHQTKJO-UZLBHIALSA-N 2 2 344.503 2.135 20 30 EEEDLP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)CCCC1 ZINC001278075172 1305873479 /nfs/dbraw/zinc/87/34/79/1305873479.db2.gz ZRPMAHSZHQTKJO-UZLBHIALSA-N 2 2 344.503 2.135 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnn(CCC)c2C)CC1 ZINC001138642171 1314638579 /nfs/dbraw/zinc/63/85/79/1314638579.db2.gz NBDJVSVOKNCLFU-UHFFFAOYSA-N 2 2 345.535 2.393 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471981 1319256251 /nfs/dbraw/zinc/25/62/51/1319256251.db2.gz QOBWYCXAVJZQKO-WMLDXEAASA-N 2 2 333.480 2.241 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471981 1319256255 /nfs/dbraw/zinc/25/62/55/1319256255.db2.gz QOBWYCXAVJZQKO-WMLDXEAASA-N 2 2 333.480 2.241 20 30 EEEDLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001159527839 1319861170 /nfs/dbraw/zinc/86/11/70/1319861170.db2.gz PALRFYRKXUUZOK-UHFFFAOYSA-N 2 2 344.846 2.143 20 30 EEEDLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001159527839 1319861176 /nfs/dbraw/zinc/86/11/76/1319861176.db2.gz PALRFYRKXUUZOK-UHFFFAOYSA-N 2 2 344.846 2.143 20 30 EEEDLP C[C@H](c1ccccc1)N(C(=O)C1([NH3+])CC[NH2+]CC1)C1=CC(=O)CCC1 ZINC001161509505 1320522325 /nfs/dbraw/zinc/52/23/25/1320522325.db2.gz QIUYBURUHQOIRM-OAHLLOKOSA-N 2 2 341.455 2.294 20 30 EEEDLP CC1([NH+]2CCOCC2)CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001165134416 1321463599 /nfs/dbraw/zinc/46/35/99/1321463599.db2.gz WQWWIRMJGCKVCF-UHFFFAOYSA-N 2 2 325.416 2.126 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205439658 1323134270 /nfs/dbraw/zinc/13/42/70/1323134270.db2.gz DZHRRPAVTDSOSC-ZWKOTPCHSA-N 2 2 342.418 2.252 20 30 EEEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556703 1323194084 /nfs/dbraw/zinc/19/40/84/1323194084.db2.gz ZETIGGGAIAJFQQ-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP N#CCCN1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931956 1324723865 /nfs/dbraw/zinc/72/38/65/1324723865.db2.gz DXFMGVIYJDBFFA-FQEVSTJZSA-N 2 2 326.488 2.430 20 30 EEEDLP N#CCCN1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931956 1324723869 /nfs/dbraw/zinc/72/38/69/1324723869.db2.gz DXFMGVIYJDBFFA-FQEVSTJZSA-N 2 2 326.488 2.430 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]Cc3cccc(C#N)c3)ccn12 ZINC001317239658 1332148388 /nfs/dbraw/zinc/14/83/88/1332148388.db2.gz CXEPERFTTNEURV-AWEZNQCLSA-N 2 2 347.422 2.423 20 30 EEEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(OCC#N)c1 ZINC001647230108 1353199591 /nfs/dbraw/zinc/19/95/91/1353199591.db2.gz CKCIAYILLJIJBX-LJQANCHMSA-N 2 2 339.439 2.171 20 30 EEEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(OCC#N)c1 ZINC001647230108 1353199594 /nfs/dbraw/zinc/19/95/94/1353199594.db2.gz CKCIAYILLJIJBX-LJQANCHMSA-N 2 2 339.439 2.171 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001371365796 1375413298 /nfs/dbraw/zinc/41/32/98/1375413298.db2.gz FRRVQELPOXWXDN-GFCCVEGCSA-N 2 2 343.269 2.009 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001375374190 1377669745 /nfs/dbraw/zinc/66/97/45/1377669745.db2.gz GBMDXPPGQOJTOX-HNNXBMFYSA-N 2 2 346.500 2.186 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001375374190 1377669749 /nfs/dbraw/zinc/66/97/49/1377669749.db2.gz GBMDXPPGQOJTOX-HNNXBMFYSA-N 2 2 346.500 2.186 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001380088224 1381046393 /nfs/dbraw/zinc/04/63/93/1381046393.db2.gz DOOZSLHWCXZRQZ-CQSZACIVSA-N 2 2 326.872 2.226 20 30 EEEDLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001403195175 1398475363 /nfs/dbraw/zinc/47/53/63/1398475363.db2.gz AZJDBSJVSZYHJG-INIZCTEOSA-N 2 2 339.443 2.172 20 30 EEEDLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001403195175 1398475367 /nfs/dbraw/zinc/47/53/67/1398475367.db2.gz AZJDBSJVSZYHJG-INIZCTEOSA-N 2 2 339.443 2.172 20 30 EEEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001755162776 1407172152 /nfs/dbraw/zinc/17/21/52/1407172152.db2.gz ZEGSQZOYGQABCC-HOCLYGCPSA-N 2 2 342.443 2.348 20 30 EEEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001755162776 1407172161 /nfs/dbraw/zinc/17/21/61/1407172161.db2.gz ZEGSQZOYGQABCC-HOCLYGCPSA-N 2 2 342.443 2.348 20 30 EEEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001755376435 1407380337 /nfs/dbraw/zinc/38/03/37/1407380337.db2.gz DCZNXVPJMCRXBP-KDOFPFPSSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001755376435 1407380343 /nfs/dbraw/zinc/38/03/43/1407380343.db2.gz DCZNXVPJMCRXBP-KDOFPFPSSA-N 2 2 345.491 2.193 20 30 EEEDLP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001755709529 1407763607 /nfs/dbraw/zinc/76/36/07/1407763607.db2.gz TYWVAGWNCAPFNT-IXDOHACOSA-N 2 2 336.439 2.188 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@@H]21 ZINC001087293167 761498392 /nfs/dbraw/zinc/49/83/92/761498392.db2.gz ZKPUTJNETRHGCL-ZTFGCOKTSA-N 2 2 336.439 2.415 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@@H]21 ZINC001087293167 761498400 /nfs/dbraw/zinc/49/84/00/761498400.db2.gz ZKPUTJNETRHGCL-ZTFGCOKTSA-N 2 2 336.439 2.415 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088111713 782925777 /nfs/dbraw/zinc/92/57/77/782925777.db2.gz POGOMCWTPWDLOT-QKPAOTATSA-N 2 2 348.878 2.056 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088111713 782925782 /nfs/dbraw/zinc/92/57/82/782925782.db2.gz POGOMCWTPWDLOT-QKPAOTATSA-N 2 2 348.878 2.056 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994774 773678256 /nfs/dbraw/zinc/67/82/56/773678256.db2.gz XZCZCNFLBVJVNF-XIRDDKMYSA-N 2 2 336.439 2.417 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994774 773678260 /nfs/dbraw/zinc/67/82/60/773678260.db2.gz XZCZCNFLBVJVNF-XIRDDKMYSA-N 2 2 336.439 2.417 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001108097624 783148363 /nfs/dbraw/zinc/14/83/63/783148363.db2.gz MRTCTVQFSJXCCA-LJQANCHMSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001108097624 783148368 /nfs/dbraw/zinc/14/83/68/783148368.db2.gz MRTCTVQFSJXCCA-LJQANCHMSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001108097624 783148370 /nfs/dbraw/zinc/14/83/70/783148370.db2.gz MRTCTVQFSJXCCA-LJQANCHMSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001108097624 783148375 /nfs/dbraw/zinc/14/83/75/783148375.db2.gz MRTCTVQFSJXCCA-LJQANCHMSA-N 2 2 337.508 2.034 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001031742520 774205789 /nfs/dbraw/zinc/20/57/89/774205789.db2.gz JAFDFWSFRPDODD-KXBFYZLASA-N 2 2 343.446 2.032 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001031742520 774205791 /nfs/dbraw/zinc/20/57/91/774205791.db2.gz JAFDFWSFRPDODD-KXBFYZLASA-N 2 2 343.446 2.032 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089696254 774436525 /nfs/dbraw/zinc/43/65/25/774436525.db2.gz WNQSPFKKZAWJME-BRWVUGGUSA-N 2 2 342.487 2.154 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089696254 774436529 /nfs/dbraw/zinc/43/65/29/774436529.db2.gz WNQSPFKKZAWJME-BRWVUGGUSA-N 2 2 342.487 2.154 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981454495 777441303 /nfs/dbraw/zinc/44/13/03/777441303.db2.gz SANKMUJYACKLKC-HOTGVXAUSA-N 2 2 339.443 2.474 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@]2(C)C1 ZINC000982313756 779685704 /nfs/dbraw/zinc/68/57/04/779685704.db2.gz SCZIGFNUZHZVOO-AHRSYUTCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@]2(C)C1 ZINC000982313756 779685712 /nfs/dbraw/zinc/68/57/12/779685712.db2.gz SCZIGFNUZHZVOO-AHRSYUTCSA-N 2 2 342.487 2.192 20 30 EEEDLP CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000846994357 790805985 /nfs/dbraw/zinc/80/59/85/790805985.db2.gz QEWOSWQTONWDTA-MRXNPFEDSA-N 2 2 343.475 2.049 20 30 EEEDLP C#CCOc1ccccc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819071935 785411999 /nfs/dbraw/zinc/41/19/99/785411999.db2.gz FOTDCGKRVIBDTH-HXUWFJFHSA-N 2 2 338.451 2.281 20 30 EEEDLP C#CCOc1ccccc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819071935 785412003 /nfs/dbraw/zinc/41/20/03/785412003.db2.gz FOTDCGKRVIBDTH-HXUWFJFHSA-N 2 2 338.451 2.281 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001005870735 788609203 /nfs/dbraw/zinc/60/92/03/788609203.db2.gz TXIAMACXQIDOEP-IBGZPJMESA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001005870735 788609207 /nfs/dbraw/zinc/60/92/07/788609207.db2.gz TXIAMACXQIDOEP-IBGZPJMESA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991469376 789009218 /nfs/dbraw/zinc/00/92/18/789009218.db2.gz GCXXKFUPBMISKN-VDZJLULYSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991469376 789009227 /nfs/dbraw/zinc/00/92/27/789009227.db2.gz GCXXKFUPBMISKN-VDZJLULYSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001006086066 789554267 /nfs/dbraw/zinc/55/42/67/789554267.db2.gz IZZQNUFTDJVTOC-UHFFFAOYSA-N 2 2 349.519 2.130 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212385589 791784944 /nfs/dbraw/zinc/78/49/44/791784944.db2.gz PQRWFCARCBHPMN-IAGOWNOFSA-N 2 2 336.480 2.128 20 30 EEEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212385589 791784947 /nfs/dbraw/zinc/78/49/47/791784947.db2.gz PQRWFCARCBHPMN-IAGOWNOFSA-N 2 2 336.480 2.128 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212385589 791784952 /nfs/dbraw/zinc/78/49/52/791784952.db2.gz PQRWFCARCBHPMN-IAGOWNOFSA-N 2 2 336.480 2.128 20 30 EEEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212385589 791784954 /nfs/dbraw/zinc/78/49/54/791784954.db2.gz PQRWFCARCBHPMN-IAGOWNOFSA-N 2 2 336.480 2.128 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998048045 791880047 /nfs/dbraw/zinc/88/00/47/791880047.db2.gz UEGAKUYFMVWZER-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998048045 791880051 /nfs/dbraw/zinc/88/00/51/791880051.db2.gz UEGAKUYFMVWZER-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147958587 792086891 /nfs/dbraw/zinc/08/68/91/792086891.db2.gz HWNCHBKTXYWUJP-INIZCTEOSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147958587 792086903 /nfs/dbraw/zinc/08/69/03/792086903.db2.gz HWNCHBKTXYWUJP-INIZCTEOSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920835 792985305 /nfs/dbraw/zinc/98/53/05/792985305.db2.gz ZQGWFXOYDZVIOT-MRXNPFEDSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086947897 793050056 /nfs/dbraw/zinc/05/00/56/793050056.db2.gz KCIPLZFQKVEJEL-IAGOWNOFSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086947897 793050066 /nfs/dbraw/zinc/05/00/66/793050066.db2.gz KCIPLZFQKVEJEL-IAGOWNOFSA-N 2 2 342.487 2.315 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001086929246 793056617 /nfs/dbraw/zinc/05/66/17/793056617.db2.gz BCNAHCLNASOOGT-DLBZAZTESA-N 2 2 342.487 2.335 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955223 793096149 /nfs/dbraw/zinc/09/61/49/793096149.db2.gz HSDLRPHTFGQVQG-KRWDZBQOSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC000992696398 795115894 /nfs/dbraw/zinc/11/58/94/795115894.db2.gz XKCFWNBKXYRRQX-RCCFBDPRSA-N 2 2 336.439 2.106 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725891 795263120 /nfs/dbraw/zinc/26/31/20/795263120.db2.gz YFTBSQGCDZHTIP-BJLQDIEVSA-N 2 2 327.472 2.325 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725891 795263122 /nfs/dbraw/zinc/26/31/22/795263122.db2.gz YFTBSQGCDZHTIP-BJLQDIEVSA-N 2 2 327.472 2.325 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001093542185 795351966 /nfs/dbraw/zinc/35/19/66/795351966.db2.gz NIIAZCXLZWEAER-KRWDZBQOSA-N 2 2 349.519 2.127 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001093542185 795351974 /nfs/dbraw/zinc/35/19/74/795351974.db2.gz NIIAZCXLZWEAER-KRWDZBQOSA-N 2 2 349.519 2.127 20 30 EEEDLP C=CCC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001093578896 795388535 /nfs/dbraw/zinc/38/85/35/795388535.db2.gz IDCWXIQQDLYCFN-INIZCTEOSA-N 2 2 346.475 2.102 20 30 EEEDLP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528300 796628920 /nfs/dbraw/zinc/62/89/20/796628920.db2.gz QXIZZHPRKFQKKH-OAHLLOKOSA-N 2 2 342.443 2.091 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605488 796657218 /nfs/dbraw/zinc/65/72/18/796657218.db2.gz OTAIDOYKLGWWAV-HOCLYGCPSA-N 2 2 330.476 2.111 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605488 796657224 /nfs/dbraw/zinc/65/72/24/796657224.db2.gz OTAIDOYKLGWWAV-HOCLYGCPSA-N 2 2 330.476 2.111 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605056 796657436 /nfs/dbraw/zinc/65/74/36/796657436.db2.gz MHFNDLOFKSTXQS-ZBFHGGJFSA-N 2 2 330.476 2.111 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605056 796657438 /nfs/dbraw/zinc/65/74/38/796657438.db2.gz MHFNDLOFKSTXQS-ZBFHGGJFSA-N 2 2 330.476 2.111 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)c1 ZINC001078734048 796898098 /nfs/dbraw/zinc/89/80/98/796898098.db2.gz PQJZTEQJVUIOKX-QZTJIDSGSA-N 2 2 349.438 2.041 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078737395 796938221 /nfs/dbraw/zinc/93/82/21/796938221.db2.gz ZKTKCNLRHLLULE-QZTJIDSGSA-N 2 2 349.438 2.041 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C12CCC2 ZINC001078771371 796963942 /nfs/dbraw/zinc/96/39/42/796963942.db2.gz SXQUCQLXIMIVLH-DLBZAZTESA-N 2 2 337.427 2.084 20 30 EEEDLP C[N@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173429206 797452752 /nfs/dbraw/zinc/45/27/52/797452752.db2.gz SRVCVFMZJPJFIM-UHFFFAOYSA-N 2 2 340.471 2.189 20 30 EEEDLP C[N@@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173429206 797452754 /nfs/dbraw/zinc/45/27/54/797452754.db2.gz SRVCVFMZJPJFIM-UHFFFAOYSA-N 2 2 340.471 2.189 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001174682774 797831307 /nfs/dbraw/zinc/83/13/07/797831307.db2.gz MXSOSTXZHACVIQ-UHFFFAOYSA-N 2 2 344.846 2.062 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001084466634 798215523 /nfs/dbraw/zinc/21/55/23/798215523.db2.gz ZYMJKVOIOTZYAS-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001084466634 798215528 /nfs/dbraw/zinc/21/55/28/798215528.db2.gz ZYMJKVOIOTZYAS-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001084466634 798215531 /nfs/dbraw/zinc/21/55/31/798215531.db2.gz ZYMJKVOIOTZYAS-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001084466634 798215535 /nfs/dbraw/zinc/21/55/35/798215535.db2.gz ZYMJKVOIOTZYAS-GPMSIDNRSA-N 2 2 342.487 2.322 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175890161 798263731 /nfs/dbraw/zinc/26/37/31/798263731.db2.gz YUIXCLOSVJUAQX-HNNXBMFYSA-N 2 2 339.443 2.289 20 30 EEEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339288 798873237 /nfs/dbraw/zinc/87/32/37/798873237.db2.gz BLJLZCNONKCDGI-UHFFFAOYSA-N 2 2 330.476 2.364 20 30 EEEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339288 798873241 /nfs/dbraw/zinc/87/32/41/798873241.db2.gz BLJLZCNONKCDGI-UHFFFAOYSA-N 2 2 330.476 2.364 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001177356690 798907195 /nfs/dbraw/zinc/90/71/95/798907195.db2.gz GJAYSRIAXUUIJP-SFHVURJKSA-N 2 2 342.487 2.077 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179706253 800063460 /nfs/dbraw/zinc/06/34/60/800063460.db2.gz XUHJPNOESNBBQM-QGZVFWFLSA-N 2 2 336.480 2.303 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)c1 ZINC001180469665 800443937 /nfs/dbraw/zinc/44/39/37/800443937.db2.gz CDMFBJQXZOKDJO-UHFFFAOYSA-N 2 2 339.443 2.221 20 30 EEEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820433 800922037 /nfs/dbraw/zinc/92/20/37/800922037.db2.gz NTFIXTPNHVCHNA-ZIFCJYIRSA-N 2 2 330.476 2.178 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183585005 801660147 /nfs/dbraw/zinc/66/01/47/801660147.db2.gz YNIGQVJSPIEFDU-RHSMWYFYSA-N 2 2 338.883 2.490 20 30 EEEDLP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098850651 801703444 /nfs/dbraw/zinc/70/34/44/801703444.db2.gz YYFUPJMRNDIOIP-IEBWSBKVSA-N 2 2 342.487 2.293 20 30 EEEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184400188 802010434 /nfs/dbraw/zinc/01/04/34/802010434.db2.gz UZFXKAZTQSGNDY-QAPCUYQASA-N 2 2 338.455 2.354 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001108255491 802532927 /nfs/dbraw/zinc/53/29/27/802532927.db2.gz DYPJDMFSSQBUTJ-IBGZPJMESA-N 2 2 348.491 2.180 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001108255491 802532933 /nfs/dbraw/zinc/53/29/33/802532933.db2.gz DYPJDMFSSQBUTJ-IBGZPJMESA-N 2 2 348.491 2.180 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001108337085 803318397 /nfs/dbraw/zinc/31/83/97/803318397.db2.gz SFYONCHNEJYUPD-UYAOXDASSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001108337085 803318402 /nfs/dbraw/zinc/31/84/02/803318402.db2.gz SFYONCHNEJYUPD-UYAOXDASSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001108337085 803318406 /nfs/dbraw/zinc/31/84/06/803318406.db2.gz SFYONCHNEJYUPD-UYAOXDASSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001108337085 803318414 /nfs/dbraw/zinc/31/84/14/803318414.db2.gz SFYONCHNEJYUPD-UYAOXDASSA-N 2 2 345.487 2.073 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001113111092 808141947 /nfs/dbraw/zinc/14/19/47/808141947.db2.gz GRSHDQTYZCXGLI-INIZCTEOSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001113489786 809065612 /nfs/dbraw/zinc/06/56/12/809065612.db2.gz NBIZVPPLBOAYNV-INIZCTEOSA-N 2 2 339.443 2.380 20 30 EEEDLP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001439554894 1092429617 /nfs/dbraw/zinc/42/96/17/1092429617.db2.gz BNZWJZYNFRDHRY-HNNXBMFYSA-N 2 2 346.500 2.042 20 30 EEEDLP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001439554894 1092429619 /nfs/dbraw/zinc/42/96/19/1092429619.db2.gz BNZWJZYNFRDHRY-HNNXBMFYSA-N 2 2 346.500 2.042 20 30 EEEDLP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)s1 ZINC001494682046 1104268169 /nfs/dbraw/zinc/26/81/69/1104268169.db2.gz WKHYZAKCIIPUFC-GJZGRUSLSA-N 2 2 346.500 2.137 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)s1 ZINC001494682046 1104268173 /nfs/dbraw/zinc/26/81/73/1104268173.db2.gz WKHYZAKCIIPUFC-GJZGRUSLSA-N 2 2 346.500 2.137 20 30 EEEDLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)s1 ZINC001494682046 1104268183 /nfs/dbraw/zinc/26/81/83/1104268183.db2.gz WKHYZAKCIIPUFC-GJZGRUSLSA-N 2 2 346.500 2.137 20 30 EEEDLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)s1 ZINC001494682046 1104268191 /nfs/dbraw/zinc/26/81/91/1104268191.db2.gz WKHYZAKCIIPUFC-GJZGRUSLSA-N 2 2 346.500 2.137 20 30 EEEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000442790974 242114771 /nfs/dbraw/zinc/11/47/71/242114771.db2.gz MWWYMOPNCIFTBY-FUHWJXTLSA-N 2 2 329.444 2.179 20 30 EEEDLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344331657 161217892 /nfs/dbraw/zinc/21/78/92/161217892.db2.gz PGVXQXCRIQZVKO-RTBURBONSA-N 2 2 340.471 2.027 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292964930 267138695 /nfs/dbraw/zinc/13/86/95/267138695.db2.gz LSJXFLHLXXLVBA-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292964930 267138696 /nfs/dbraw/zinc/13/86/96/267138696.db2.gz LSJXFLHLXXLVBA-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292964930 267138700 /nfs/dbraw/zinc/13/87/00/267138700.db2.gz LSJXFLHLXXLVBA-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292964930 267138703 /nfs/dbraw/zinc/13/87/03/267138703.db2.gz LSJXFLHLXXLVBA-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000421373084 268233496 /nfs/dbraw/zinc/23/34/96/268233496.db2.gz YZPBFKMFZXPFFO-FQEVSTJZSA-N 2 2 339.414 2.424 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000421373084 268233500 /nfs/dbraw/zinc/23/35/00/268233500.db2.gz YZPBFKMFZXPFFO-FQEVSTJZSA-N 2 2 339.414 2.424 20 30 EEEDLP N#Cc1cccc(OCCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000577496244 320259009 /nfs/dbraw/zinc/25/90/09/320259009.db2.gz HGZQGWJDBKLQGY-UHFFFAOYSA-N 2 2 343.471 2.154 20 30 EEEDLP C=C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000341991015 465283044 /nfs/dbraw/zinc/28/30/44/465283044.db2.gz FCCGFZYHZIYPHT-UHFFFAOYSA-N 2 2 327.472 2.291 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000536016469 468339149 /nfs/dbraw/zinc/33/91/49/468339149.db2.gz CNZOUHFXQSHZQG-UHFFFAOYSA-N 2 2 348.516 2.226 20 30 EEEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCN(C)CC1 ZINC000264066127 464278511 /nfs/dbraw/zinc/27/85/11/464278511.db2.gz FACHXNASGMUOGA-IBGZPJMESA-N 2 2 343.519 2.174 20 30 EEEDLP CC(C)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181561542 464506540 /nfs/dbraw/zinc/50/65/40/464506540.db2.gz OTANUJFMPOCRRZ-FQEVSTJZSA-N 2 2 345.487 2.146 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000330336157 465618487 /nfs/dbraw/zinc/61/84/87/465618487.db2.gz SELPXYJDEXDNOE-PBHICJAKSA-N 2 2 349.479 2.018 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000330336157 465618493 /nfs/dbraw/zinc/61/84/93/465618493.db2.gz SELPXYJDEXDNOE-PBHICJAKSA-N 2 2 349.479 2.018 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353574882 465987940 /nfs/dbraw/zinc/98/79/40/465987940.db2.gz NHWKOPKFZGXWJQ-LPHOPBHVSA-N 2 2 348.491 2.476 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353574882 465987946 /nfs/dbraw/zinc/98/79/46/465987946.db2.gz NHWKOPKFZGXWJQ-LPHOPBHVSA-N 2 2 348.491 2.476 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353574882 465987952 /nfs/dbraw/zinc/98/79/52/465987952.db2.gz NHWKOPKFZGXWJQ-LPHOPBHVSA-N 2 2 348.491 2.476 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353574882 465987957 /nfs/dbraw/zinc/98/79/57/465987957.db2.gz NHWKOPKFZGXWJQ-LPHOPBHVSA-N 2 2 348.491 2.476 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367018822 466074307 /nfs/dbraw/zinc/07/43/07/466074307.db2.gz CTORIJFZAMDNSG-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367018822 466074315 /nfs/dbraw/zinc/07/43/15/466074315.db2.gz CTORIJFZAMDNSG-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365276408 466764673 /nfs/dbraw/zinc/76/46/73/466764673.db2.gz RIHWJHFBOGCXDK-GOSISDBHSA-N 2 2 330.451 2.298 20 30 EEEDLP CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365276408 466764678 /nfs/dbraw/zinc/76/46/78/466764678.db2.gz RIHWJHFBOGCXDK-GOSISDBHSA-N 2 2 330.451 2.298 20 30 EEEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000591733666 468511829 /nfs/dbraw/zinc/51/18/29/468511829.db2.gz FMCAWOILUCRIDD-SFHVURJKSA-N 2 2 327.403 2.280 20 30 EEEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000591733666 468511836 /nfs/dbraw/zinc/51/18/36/468511836.db2.gz FMCAWOILUCRIDD-SFHVURJKSA-N 2 2 327.403 2.280 20 30 EEEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@]3(C#N)CC34CCCC4)c2)CC1 ZINC000601808951 469035320 /nfs/dbraw/zinc/03/53/20/469035320.db2.gz XXTRGRQDXIIFJU-LJQANCHMSA-N 2 2 339.443 2.246 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000563010417 469133755 /nfs/dbraw/zinc/13/37/55/469133755.db2.gz GKYLPTSMCMTWBV-GOSISDBHSA-N 2 2 341.455 2.477 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702350 470281766 /nfs/dbraw/zinc/28/17/66/470281766.db2.gz FSEYVUIIPMUMFC-OAQYLSRUSA-N 3 2 343.515 2.254 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702350 470281768 /nfs/dbraw/zinc/28/17/68/470281768.db2.gz FSEYVUIIPMUMFC-OAQYLSRUSA-N 3 2 343.515 2.254 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087727862 782139870 /nfs/dbraw/zinc/13/98/70/782139870.db2.gz QAZDJSGGLLLCPO-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087727862 782139874 /nfs/dbraw/zinc/13/98/74/782139874.db2.gz QAZDJSGGLLLCPO-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087727862 782139879 /nfs/dbraw/zinc/13/98/79/782139879.db2.gz QAZDJSGGLLLCPO-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087727862 782139888 /nfs/dbraw/zinc/13/98/88/782139888.db2.gz QAZDJSGGLLLCPO-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)c2ccccc2)CC1 ZINC000108707843 526925108 /nfs/dbraw/zinc/92/51/08/526925108.db2.gz UVJFNNMPWLVWGA-UHFFFAOYSA-N 2 2 327.472 2.364 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)c2ccccc2)CC1 ZINC000108707843 526925113 /nfs/dbraw/zinc/92/51/13/526925113.db2.gz UVJFNNMPWLVWGA-UHFFFAOYSA-N 2 2 327.472 2.364 20 30 EEEDLP C=CC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000111259215 526979052 /nfs/dbraw/zinc/97/90/52/526979052.db2.gz PQFMPPWPDAEDEU-UHFFFAOYSA-N 2 2 349.519 2.036 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000730097173 576714346 /nfs/dbraw/zinc/71/43/46/576714346.db2.gz FUVUCDREQGAPAD-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000730097173 576714350 /nfs/dbraw/zinc/71/43/50/576714350.db2.gz FUVUCDREQGAPAD-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000730097173 576714352 /nfs/dbraw/zinc/71/43/52/576714352.db2.gz FUVUCDREQGAPAD-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000730097173 576714354 /nfs/dbraw/zinc/71/43/54/576714354.db2.gz FUVUCDREQGAPAD-FQEVSTJZSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000730098018 576714550 /nfs/dbraw/zinc/71/45/50/576714550.db2.gz RAQBNYNPVXZTAQ-QRQLOZEOSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000730098018 576714552 /nfs/dbraw/zinc/71/45/52/576714552.db2.gz RAQBNYNPVXZTAQ-QRQLOZEOSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000730098018 576714554 /nfs/dbraw/zinc/71/45/54/576714554.db2.gz RAQBNYNPVXZTAQ-QRQLOZEOSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000730098018 576714556 /nfs/dbraw/zinc/71/45/56/576714556.db2.gz RAQBNYNPVXZTAQ-QRQLOZEOSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000733161366 577206686 /nfs/dbraw/zinc/20/66/86/577206686.db2.gz RGUKILHQVHHTFT-UHFFFAOYSA-N 2 2 325.456 2.064 20 30 EEEDLP C=C(C)C[N@H+](CC)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754000518 577798345 /nfs/dbraw/zinc/79/83/45/577798345.db2.gz OIETWOTXFULHND-IBGZPJMESA-N 2 2 347.503 2.076 20 30 EEEDLP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754000518 577798346 /nfs/dbraw/zinc/79/83/46/577798346.db2.gz OIETWOTXFULHND-IBGZPJMESA-N 2 2 347.503 2.076 20 30 EEEDLP CC1(C)OCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000757696895 577862690 /nfs/dbraw/zinc/86/26/90/577862690.db2.gz GJOHPXRYLMSBFZ-UHFFFAOYSA-N 2 2 329.444 2.264 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001020441671 674776331 /nfs/dbraw/zinc/77/63/31/674776331.db2.gz HFGXGZYUYCXQSM-SHTZXODSSA-N 2 2 330.819 2.475 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970001233 675374917 /nfs/dbraw/zinc/37/49/17/675374917.db2.gz PCXVCOPVKDHOCR-HIFRSBDPSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970001233 675374918 /nfs/dbraw/zinc/37/49/18/675374918.db2.gz PCXVCOPVKDHOCR-HIFRSBDPSA-N 2 2 330.476 2.226 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001022423914 676891817 /nfs/dbraw/zinc/89/18/17/676891817.db2.gz MKAXCRGKSSQFQL-CALCHBBNSA-N 2 2 345.406 2.257 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)s1 ZINC001024365462 679883288 /nfs/dbraw/zinc/88/32/88/679883288.db2.gz AXZCUVYVZKAQNG-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)s1 ZINC001024365462 679883289 /nfs/dbraw/zinc/88/32/89/679883289.db2.gz AXZCUVYVZKAQNG-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001024365462 679883290 /nfs/dbraw/zinc/88/32/90/679883290.db2.gz AXZCUVYVZKAQNG-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001024365462 679883291 /nfs/dbraw/zinc/88/32/91/679883291.db2.gz AXZCUVYVZKAQNG-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001029478938 685050739 /nfs/dbraw/zinc/05/07/39/685050739.db2.gz HEJUFZJAYXPHSU-OTWHNJEPSA-N 2 2 340.471 2.074 20 30 EEEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001029478938 685050746 /nfs/dbraw/zinc/05/07/46/685050746.db2.gz HEJUFZJAYXPHSU-OTWHNJEPSA-N 2 2 340.471 2.074 20 30 EEEDLP C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001485067589 1191635694 /nfs/dbraw/zinc/63/56/94/1191635694.db2.gz QMCRLXFHHKRTDZ-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001485067589 1191635695 /nfs/dbraw/zinc/63/56/95/1191635695.db2.gz QMCRLXFHHKRTDZ-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107366 1194671044 /nfs/dbraw/zinc/67/10/44/1194671044.db2.gz AWWOULAZLGNVNG-LJQANCHMSA-N 2 2 348.491 2.227 20 30 EEEDLP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107366 1194671051 /nfs/dbraw/zinc/67/10/51/1194671051.db2.gz AWWOULAZLGNVNG-LJQANCHMSA-N 2 2 348.491 2.227 20 30 EEEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470134 1196274549 /nfs/dbraw/zinc/27/45/49/1196274549.db2.gz OHDJBUSLWOLQFP-GOSISDBHSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470134 1196274551 /nfs/dbraw/zinc/27/45/51/1196274551.db2.gz OHDJBUSLWOLQFP-GOSISDBHSA-N 2 2 336.439 2.480 20 30 EEEDLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034527039 1196330913 /nfs/dbraw/zinc/33/09/13/1196330913.db2.gz CKBFOEUQAVWZGV-FQEVSTJZSA-N 2 2 339.483 2.105 20 30 EEEDLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034527039 1196330919 /nfs/dbraw/zinc/33/09/19/1196330919.db2.gz CKBFOEUQAVWZGV-FQEVSTJZSA-N 2 2 339.483 2.105 20 30 EEEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001034776195 1196701697 /nfs/dbraw/zinc/70/16/97/1196701697.db2.gz AXSIDMOJMBFBQT-SHTZXODSSA-N 2 2 325.416 2.084 20 30 EEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541140 1199836250 /nfs/dbraw/zinc/83/62/50/1199836250.db2.gz AKFHXIOPBSSFGT-PKOBYXMFSA-N 2 2 327.472 2.111 20 30 EEEDLP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541140 1199836255 /nfs/dbraw/zinc/83/62/55/1199836255.db2.gz AKFHXIOPBSSFGT-PKOBYXMFSA-N 2 2 327.472 2.111 20 30 EEEDLP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541140 1199836259 /nfs/dbraw/zinc/83/62/59/1199836259.db2.gz AKFHXIOPBSSFGT-PKOBYXMFSA-N 2 2 327.472 2.111 20 30 EEEDLP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541140 1199836263 /nfs/dbraw/zinc/83/62/63/1199836263.db2.gz AKFHXIOPBSSFGT-PKOBYXMFSA-N 2 2 327.472 2.111 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568700 1201525534 /nfs/dbraw/zinc/52/55/34/1201525534.db2.gz DANWXBSSGDYSDQ-SJLPKXTDSA-N 2 2 339.443 2.222 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000883131360 1202018112 /nfs/dbraw/zinc/01/81/12/1202018112.db2.gz XXGDHLVGDLXQMG-UHFFFAOYSA-N 2 2 349.276 2.450 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000883131360 1202018114 /nfs/dbraw/zinc/01/81/14/1202018114.db2.gz XXGDHLVGDLXQMG-UHFFFAOYSA-N 2 2 349.276 2.450 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132391 1204213402 /nfs/dbraw/zinc/21/34/02/1204213402.db2.gz FAFBHRUVOIGVLZ-HOTGVXAUSA-N 2 2 349.438 2.491 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132391 1204213403 /nfs/dbraw/zinc/21/34/03/1204213403.db2.gz FAFBHRUVOIGVLZ-HOTGVXAUSA-N 2 2 349.438 2.491 20 30 EEEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000948850750 1209416315 /nfs/dbraw/zinc/41/63/15/1209416315.db2.gz RDQPFZMGGXODID-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000948850750 1209416316 /nfs/dbraw/zinc/41/63/16/1209416316.db2.gz RDQPFZMGGXODID-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP CC(C)(C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001015497176 1225332315 /nfs/dbraw/zinc/33/23/15/1225332315.db2.gz BFUUCZZGDYUEED-IBGZPJMESA-N 2 2 339.483 2.103 20 30 EEEDLP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001015497176 1225332317 /nfs/dbraw/zinc/33/23/17/1225332317.db2.gz BFUUCZZGDYUEED-IBGZPJMESA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@@H](CNC(=[NH2+])N1CCCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000305077157 1216140527 /nfs/dbraw/zinc/14/05/27/1216140527.db2.gz QWFZWZIZXPSAIO-SFHVURJKSA-N 2 2 343.519 2.388 20 30 EEEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961196752 1217083063 /nfs/dbraw/zinc/08/30/63/1217083063.db2.gz MCFBMPNRPCADIU-MSOLQXFVSA-N 2 2 342.487 2.120 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961196752 1217083065 /nfs/dbraw/zinc/08/30/65/1217083065.db2.gz MCFBMPNRPCADIU-MSOLQXFVSA-N 2 2 342.487 2.120 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000961207564 1217089906 /nfs/dbraw/zinc/08/99/06/1217089906.db2.gz GSZBUAKLOWLWDN-MSOLQXFVSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000961207564 1217089909 /nfs/dbraw/zinc/08/99/09/1217089909.db2.gz GSZBUAKLOWLWDN-MSOLQXFVSA-N 2 2 344.503 2.489 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001007646001 1222342942 /nfs/dbraw/zinc/34/29/42/1222342942.db2.gz NLPAWGFUWMBIKP-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001007646001 1222342946 /nfs/dbraw/zinc/34/29/46/1222342946.db2.gz NLPAWGFUWMBIKP-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007646001 1222342949 /nfs/dbraw/zinc/34/29/49/1222342949.db2.gz NLPAWGFUWMBIKP-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007646001 1222342953 /nfs/dbraw/zinc/34/29/53/1222342953.db2.gz NLPAWGFUWMBIKP-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017949923 1227912080 /nfs/dbraw/zinc/91/20/80/1227912080.db2.gz QFVZMOHCIAQFES-BGYRXZFFSA-N 2 2 339.483 2.103 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017949923 1227912083 /nfs/dbraw/zinc/91/20/83/1227912083.db2.gz QFVZMOHCIAQFES-BGYRXZFFSA-N 2 2 339.483 2.103 20 30 EEEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039169400 1230393644 /nfs/dbraw/zinc/39/36/44/1230393644.db2.gz QQBHSVIFFGHKRY-RDJZCZTQSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039169400 1230393646 /nfs/dbraw/zinc/39/36/46/1230393646.db2.gz QQBHSVIFFGHKRY-RDJZCZTQSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039169400 1230393652 /nfs/dbraw/zinc/39/36/52/1230393652.db2.gz QQBHSVIFFGHKRY-RDJZCZTQSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039169400 1230393657 /nfs/dbraw/zinc/39/36/57/1230393657.db2.gz QQBHSVIFFGHKRY-RDJZCZTQSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001039435965 1230608853 /nfs/dbraw/zinc/60/88/53/1230608853.db2.gz MZMFVAWSELKFJB-XHSDSOJGSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001039435965 1230608856 /nfs/dbraw/zinc/60/88/56/1230608856.db2.gz MZMFVAWSELKFJB-XHSDSOJGSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039435965 1230608859 /nfs/dbraw/zinc/60/88/59/1230608859.db2.gz MZMFVAWSELKFJB-XHSDSOJGSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039435965 1230608862 /nfs/dbraw/zinc/60/88/62/1230608862.db2.gz MZMFVAWSELKFJB-XHSDSOJGSA-N 2 2 325.884 2.289 20 30 EEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001040545236 1231285681 /nfs/dbraw/zinc/28/56/81/1231285681.db2.gz NKHXWHOWEPHYBK-ICSRJNTNSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001040545236 1231285684 /nfs/dbraw/zinc/28/56/84/1231285684.db2.gz NKHXWHOWEPHYBK-ICSRJNTNSA-N 2 2 342.487 2.185 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001042296592 1232011763 /nfs/dbraw/zinc/01/17/63/1232011763.db2.gz CKDCBVHNPTXCEN-APWZRJJASA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001042296592 1232011767 /nfs/dbraw/zinc/01/17/67/1232011767.db2.gz CKDCBVHNPTXCEN-APWZRJJASA-N 2 2 334.423 2.042 20 30 EEEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982101 1234275041 /nfs/dbraw/zinc/27/50/41/1234275041.db2.gz NWYZTSDJFLNIGV-FQEVSTJZSA-N 2 2 342.487 2.081 20 30 EEEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982101 1234275045 /nfs/dbraw/zinc/27/50/45/1234275045.db2.gz NWYZTSDJFLNIGV-FQEVSTJZSA-N 2 2 342.487 2.081 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001049559830 1241417364 /nfs/dbraw/zinc/41/73/64/1241417364.db2.gz AJTYVUIZLXUFJI-BMGDILEWSA-N 2 2 328.460 2.074 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001049559830 1241417367 /nfs/dbraw/zinc/41/73/67/1241417367.db2.gz AJTYVUIZLXUFJI-BMGDILEWSA-N 2 2 328.460 2.074 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001049559830 1241417371 /nfs/dbraw/zinc/41/73/71/1241417371.db2.gz AJTYVUIZLXUFJI-BMGDILEWSA-N 2 2 328.460 2.074 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001049559830 1241417384 /nfs/dbraw/zinc/41/73/84/1241417384.db2.gz AJTYVUIZLXUFJI-BMGDILEWSA-N 2 2 328.460 2.074 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001049749815 1242080320 /nfs/dbraw/zinc/08/03/20/1242080320.db2.gz FSMZEBYGWJKVLW-OALUTQOASA-N 2 2 349.438 2.089 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001049749815 1242080334 /nfs/dbraw/zinc/08/03/34/1242080334.db2.gz FSMZEBYGWJKVLW-OALUTQOASA-N 2 2 349.438 2.089 20 30 EEEDLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC#Cc1ccccc1 ZINC001049934488 1242777431 /nfs/dbraw/zinc/77/74/31/1242777431.db2.gz XAGWNKGFANWLBC-UXHICEINSA-N 2 2 348.450 2.000 20 30 EEEDLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049934488 1242777438 /nfs/dbraw/zinc/77/74/38/1242777438.db2.gz XAGWNKGFANWLBC-UXHICEINSA-N 2 2 348.450 2.000 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC001050569641 1243860308 /nfs/dbraw/zinc/86/03/08/1243860308.db2.gz LBLKQBUHNUNZGI-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308353 1245640000 /nfs/dbraw/zinc/64/00/00/1245640000.db2.gz HLBOREOZUQDTKM-APWZRJJASA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308353 1245640006 /nfs/dbraw/zinc/64/00/06/1245640006.db2.gz HLBOREOZUQDTKM-APWZRJJASA-N 2 2 330.476 2.099 20 30 EEEDLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001072080946 1254918176 /nfs/dbraw/zinc/91/81/76/1254918176.db2.gz DPFBLESJESSEKP-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001072080946 1254918183 /nfs/dbraw/zinc/91/81/83/1254918183.db2.gz DPFBLESJESSEKP-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072848779 1255430574 /nfs/dbraw/zinc/43/05/74/1255430574.db2.gz KEZUXJSUJBNRTA-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072848779 1255430581 /nfs/dbraw/zinc/43/05/81/1255430581.db2.gz KEZUXJSUJBNRTA-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911966 1257857052 /nfs/dbraw/zinc/85/70/52/1257857052.db2.gz ZTTZTYWMZOFGOM-ZWOKBUDYSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911966 1257857058 /nfs/dbraw/zinc/85/70/58/1257857058.db2.gz ZTTZTYWMZOFGOM-ZWOKBUDYSA-N 2 2 342.487 2.382 20 30 EEEDLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001185960189 1278890269 /nfs/dbraw/zinc/89/02/69/1278890269.db2.gz VALNMYKAPYJZHS-IEBWSBKVSA-N 2 2 336.439 2.076 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196341415 1284008732 /nfs/dbraw/zinc/00/87/32/1284008732.db2.gz OMPCAZPRFSKNIO-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196341415 1284008738 /nfs/dbraw/zinc/00/87/38/1284008738.db2.gz OMPCAZPRFSKNIO-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC(C)(C#N)C2)cc1 ZINC001198007740 1284924098 /nfs/dbraw/zinc/92/40/98/1284924098.db2.gz OSKPXYNOKNQCHX-UHFFFAOYSA-N 2 2 328.460 2.056 20 30 EEEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC(C)(C#N)C2)cc1 ZINC001198007740 1284924101 /nfs/dbraw/zinc/92/41/01/1284924101.db2.gz OSKPXYNOKNQCHX-UHFFFAOYSA-N 2 2 328.460 2.056 20 30 EEEDLP C=CCC[NH2+][C@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccccc1OC ZINC001198696374 1285278529 /nfs/dbraw/zinc/27/85/29/1285278529.db2.gz YAYFJZAXEJYIJX-MRXNPFEDSA-N 2 2 342.443 2.374 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524244 1289652806 /nfs/dbraw/zinc/65/28/06/1289652806.db2.gz GYLVVONSARSMSJ-IAGOWNOFSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001201801932 1289759157 /nfs/dbraw/zinc/75/91/57/1289759157.db2.gz VXPXTGYUFDRCJW-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001201801932 1289759164 /nfs/dbraw/zinc/75/91/64/1289759164.db2.gz VXPXTGYUFDRCJW-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699080 1293071871 /nfs/dbraw/zinc/07/18/71/1293071871.db2.gz DGKLXGOCOBBBFY-ZJPYXAASSA-N 2 2 328.460 2.215 20 30 EEEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699080 1293071873 /nfs/dbraw/zinc/07/18/73/1293071873.db2.gz DGKLXGOCOBBBFY-ZJPYXAASSA-N 2 2 328.460 2.215 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857198 1296232288 /nfs/dbraw/zinc/23/22/88/1296232288.db2.gz OXCADQDPRSNCCX-UHFFFAOYSA-N 2 2 330.819 2.463 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857198 1296232295 /nfs/dbraw/zinc/23/22/95/1296232295.db2.gz OXCADQDPRSNCCX-UHFFFAOYSA-N 2 2 330.819 2.463 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165352 1301718772 /nfs/dbraw/zinc/71/87/72/1301718772.db2.gz LZPTXDYWWJWSPF-ARFHVFGLSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165352 1301718776 /nfs/dbraw/zinc/71/87/76/1301718776.db2.gz LZPTXDYWWJWSPF-ARFHVFGLSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CCC[N@H+](CCCNC(=O)CCc1[nH]cc[nH+]1)Cc1cccnc1 ZINC001230747841 1303430127 /nfs/dbraw/zinc/43/01/27/1303430127.db2.gz JPDIOFHNCCUFCD-UHFFFAOYSA-N 2 2 341.459 2.322 20 30 EEEDLP C=CCC[N@@H+](CCCNC(=O)CCc1[nH]cc[nH+]1)Cc1cccnc1 ZINC001230747841 1303430134 /nfs/dbraw/zinc/43/01/34/1303430134.db2.gz JPDIOFHNCCUFCD-UHFFFAOYSA-N 2 2 341.459 2.322 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090432 1304224103 /nfs/dbraw/zinc/22/41/03/1304224103.db2.gz IERPEMPBYXQAAU-CHWSQXEVSA-N 2 2 344.381 2.287 20 30 EEEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001112427537 1304544682 /nfs/dbraw/zinc/54/46/82/1304544682.db2.gz KGGAMDJOMUIPFH-JXFKEZNVSA-N 2 2 336.439 2.418 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CCCCC1 ZINC001120005776 1309277195 /nfs/dbraw/zinc/27/71/95/1309277195.db2.gz WXJRLIMBBMDFHM-UHFFFAOYSA-N 2 2 339.443 2.476 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161248599 1320433915 /nfs/dbraw/zinc/43/39/15/1320433915.db2.gz DGIHTPLCFHXIFJ-IAGOWNOFSA-N 2 2 328.460 2.238 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161248599 1320433920 /nfs/dbraw/zinc/43/39/20/1320433920.db2.gz DGIHTPLCFHXIFJ-IAGOWNOFSA-N 2 2 328.460 2.238 20 30 EEEDLP C=CCCC[NH+]1CCC(CCOC)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001151155411 1316461968 /nfs/dbraw/zinc/46/19/68/1316461968.db2.gz DLZXHNZDQJSPLK-UHFFFAOYSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CCCC[NH+]1CCC(CCOC)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001151155411 1316461974 /nfs/dbraw/zinc/46/19/74/1316461974.db2.gz DLZXHNZDQJSPLK-UHFFFAOYSA-N 2 2 348.491 2.296 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446488 1316829821 /nfs/dbraw/zinc/82/98/21/1316829821.db2.gz WWYFEGZSMQDIFX-MGPQQGTHSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446488 1316829823 /nfs/dbraw/zinc/82/98/23/1316829823.db2.gz WWYFEGZSMQDIFX-MGPQQGTHSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153446488 1316829824 /nfs/dbraw/zinc/82/98/24/1316829824.db2.gz WWYFEGZSMQDIFX-MGPQQGTHSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153446488 1316829827 /nfs/dbraw/zinc/82/98/27/1316829827.db2.gz WWYFEGZSMQDIFX-MGPQQGTHSA-N 2 2 346.313 2.062 20 30 EEEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001253188504 1317791966 /nfs/dbraw/zinc/79/19/66/1317791966.db2.gz ZXMPGCXVTDGCHF-IEBWSBKVSA-N 2 2 331.460 2.104 20 30 EEEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001253188504 1317791972 /nfs/dbraw/zinc/79/19/72/1317791972.db2.gz ZXMPGCXVTDGCHF-IEBWSBKVSA-N 2 2 331.460 2.104 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001158148743 1319045461 /nfs/dbraw/zinc/04/54/61/1319045461.db2.gz PUOXXCMDNYDFRZ-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001158148743 1319045469 /nfs/dbraw/zinc/04/54/69/1319045469.db2.gz PUOXXCMDNYDFRZ-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)NO ZINC001258140739 1319187886 /nfs/dbraw/zinc/18/78/86/1319187886.db2.gz GBLROUJXDDFDTD-YJBOKZPZSA-N 2 2 333.476 2.203 20 30 EEEDLP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158948962 1319523061 /nfs/dbraw/zinc/52/30/61/1319523061.db2.gz BJVKNMHXWXLYQP-GOSISDBHSA-N 2 2 348.491 2.179 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001342297312 1337313624 /nfs/dbraw/zinc/31/36/24/1337313624.db2.gz CJFYJPFVLGBXGK-KRWDZBQOSA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001342297312 1337313628 /nfs/dbraw/zinc/31/36/28/1337313628.db2.gz CJFYJPFVLGBXGK-KRWDZBQOSA-N 2 2 344.507 2.295 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001369063462 1374490598 /nfs/dbraw/zinc/49/05/98/1374490598.db2.gz CSPFFBMQZANRMT-MRXNPFEDSA-N 2 2 338.883 2.466 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001369063462 1374490601 /nfs/dbraw/zinc/49/06/01/1374490601.db2.gz CSPFFBMQZANRMT-MRXNPFEDSA-N 2 2 338.883 2.466 20 30 EEEDLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cc(C#N)ccc1F ZINC001390666489 1388723996 /nfs/dbraw/zinc/72/39/96/1388723996.db2.gz UAAGZWDTEBBHJR-CYBMUJFWSA-N 2 2 343.406 2.038 20 30 EEEDLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1cc(C#N)ccc1F ZINC001390666489 1388723997 /nfs/dbraw/zinc/72/39/97/1388723997.db2.gz UAAGZWDTEBBHJR-CYBMUJFWSA-N 2 2 343.406 2.038 20 30 EEEDLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001382166121 1382020796 /nfs/dbraw/zinc/02/07/96/1382020796.db2.gz VEBMNNQMHKIQMC-CQSZACIVSA-N 2 2 345.472 2.233 20 30 EEEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327496 759444629 /nfs/dbraw/zinc/44/46/29/759444629.db2.gz QEGONIHZAMREMA-KZNAEPCWSA-N 2 2 330.476 2.178 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457671 760818245 /nfs/dbraw/zinc/81/82/45/760818245.db2.gz ZKTDXPWRUFUMTI-SFHVURJKSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457671 760818249 /nfs/dbraw/zinc/81/82/49/760818249.db2.gz ZKTDXPWRUFUMTI-SFHVURJKSA-N 2 2 342.487 2.247 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318221 761617408 /nfs/dbraw/zinc/61/74/08/761617408.db2.gz SWLSCBZALWICPA-PVAVHDDUSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318221 761617416 /nfs/dbraw/zinc/61/74/16/761617416.db2.gz SWLSCBZALWICPA-PVAVHDDUSA-N 2 2 339.911 2.440 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979705596 770910332 /nfs/dbraw/zinc/91/03/32/770910332.db2.gz AHXPIGKVEHYTAI-RCCFBDPRSA-N 2 2 336.439 2.106 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979705596 770910336 /nfs/dbraw/zinc/91/03/36/770910336.db2.gz AHXPIGKVEHYTAI-RCCFBDPRSA-N 2 2 336.439 2.106 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC000980000885 773692684 /nfs/dbraw/zinc/69/26/84/773692684.db2.gz MXCKWCLTLZAHHF-SZMVWBNQSA-N 2 2 343.471 2.426 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC000980000885 773692686 /nfs/dbraw/zinc/69/26/86/773692686.db2.gz MXCKWCLTLZAHHF-SZMVWBNQSA-N 2 2 343.471 2.426 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660415 774042226 /nfs/dbraw/zinc/04/22/26/774042226.db2.gz JIEBWNSKWMRWPZ-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660415 774042236 /nfs/dbraw/zinc/04/22/36/774042236.db2.gz JIEBWNSKWMRWPZ-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087430940 775410590 /nfs/dbraw/zinc/41/05/90/775410590.db2.gz QZLURSBCKJBSMG-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087430940 775410598 /nfs/dbraw/zinc/41/05/98/775410598.db2.gz QZLURSBCKJBSMG-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087430940 775410604 /nfs/dbraw/zinc/41/06/04/775410604.db2.gz QZLURSBCKJBSMG-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087430940 775410617 /nfs/dbraw/zinc/41/06/17/775410617.db2.gz QZLURSBCKJBSMG-VAMGGRTRSA-N 2 2 339.483 2.078 20 30 EEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997649792 790534223 /nfs/dbraw/zinc/53/42/23/790534223.db2.gz SXFPCTSXOOYIBK-RDJZCZTQSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997178439 789348743 /nfs/dbraw/zinc/34/87/43/789348743.db2.gz VQWXTLPNFGPRGB-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP CN(C)c1cc[nH+]c(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000845770116 789939115 /nfs/dbraw/zinc/93/91/15/789939115.db2.gz HEOHLHFSTTUHTL-UHFFFAOYSA-N 2 2 336.443 2.491 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001147799344 791967423 /nfs/dbraw/zinc/96/74/23/791967423.db2.gz MZXIMXNSUMAYDY-SJORKVTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001147799344 791967432 /nfs/dbraw/zinc/96/74/32/791967432.db2.gz MZXIMXNSUMAYDY-SJORKVTESA-N 2 2 342.487 2.335 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998118923 791998368 /nfs/dbraw/zinc/99/83/68/791998368.db2.gz YIAIPPQSJBQNCU-JKSUJKDBSA-N 2 2 328.460 2.166 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998308155 792537032 /nfs/dbraw/zinc/53/70/32/792537032.db2.gz YIYMRLNTLQLTTF-GXTWGEPZSA-N 2 2 344.381 2.206 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992395133 793941179 /nfs/dbraw/zinc/94/11/79/793941179.db2.gz RUTBHYRYIYMNNF-QUCCMNQESA-N 2 2 349.438 2.017 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC000992395133 793941188 /nfs/dbraw/zinc/94/11/88/793941188.db2.gz RUTBHYRYIYMNNF-QUCCMNQESA-N 2 2 349.438 2.017 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778182 794963786 /nfs/dbraw/zinc/96/37/86/794963786.db2.gz OBEFCMVZLIJQKW-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778182 794963790 /nfs/dbraw/zinc/96/37/90/794963790.db2.gz OBEFCMVZLIJQKW-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000994141824 797357157 /nfs/dbraw/zinc/35/71/57/797357157.db2.gz ADWHJGYFSJOBDY-LPHOPBHVSA-N 2 2 336.439 2.478 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563196 806584688 /nfs/dbraw/zinc/58/46/88/806584688.db2.gz KSBHHCHISSKZED-LPHOPBHVSA-N 2 2 330.476 2.147 20 30 EEEDLP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881058 798259931 /nfs/dbraw/zinc/25/99/31/798259931.db2.gz IRNGPMVTQIDJGG-LBPRGKRZSA-N 2 2 343.269 2.125 20 30 EEEDLP CCCCCCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676246 798524027 /nfs/dbraw/zinc/52/40/27/798524027.db2.gz UJBGHQZFUBCFGG-GOSISDBHSA-N 2 2 339.524 2.164 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952050 800973484 /nfs/dbraw/zinc/97/34/84/800973484.db2.gz OTNHZZGNFGJNAA-FUHIMQAGSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183764550 801726035 /nfs/dbraw/zinc/72/60/35/801726035.db2.gz BFWMXTQMTOJMHA-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304530 810819028 /nfs/dbraw/zinc/81/90/28/810819028.db2.gz SIOJVFVLUQJMQH-SZOQZIPDSA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304530 810819035 /nfs/dbraw/zinc/81/90/35/810819035.db2.gz SIOJVFVLUQJMQH-SZOQZIPDSA-N 2 2 336.867 2.196 20 30 EEEDLP CC(C)C[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001130001576 811069840 /nfs/dbraw/zinc/06/98/40/811069840.db2.gz STDLTRPKZHTDSL-IBGZPJMESA-N 2 2 338.455 2.228 20 30 EEEDLP C=CCN1CC[C@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1=O ZINC000459479637 245136384 /nfs/dbraw/zinc/13/63/84/245136384.db2.gz KKOMXDINEYIMAV-IBGZPJMESA-N 2 2 336.439 2.144 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000491630238 246088917 /nfs/dbraw/zinc/08/89/17/246088917.db2.gz PAGIBMDFCRDXPF-HNNXBMFYSA-N 2 2 346.475 2.456 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000264356863 246395204 /nfs/dbraw/zinc/39/52/04/246395204.db2.gz FJKPWIHCKIUOMO-UHFFFAOYSA-N 2 2 341.459 2.482 20 30 EEEDLP COCCOC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344303949 161215891 /nfs/dbraw/zinc/21/58/91/161215891.db2.gz MMPOCWFVEWNJBD-INIZCTEOSA-N 2 2 331.460 2.164 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)CC(F)(F)F)CC2)cc1 ZINC000344331015 161218089 /nfs/dbraw/zinc/21/80/89/161218089.db2.gz ONHXNGLRZXZJON-MRXNPFEDSA-N 2 2 341.377 2.426 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000375747807 167184978 /nfs/dbraw/zinc/18/49/78/167184978.db2.gz WNXOSGPPQAZVEF-CQSZACIVSA-N 2 2 346.862 2.110 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000375747807 167184983 /nfs/dbraw/zinc/18/49/83/167184983.db2.gz WNXOSGPPQAZVEF-CQSZACIVSA-N 2 2 346.862 2.110 20 30 EEEDLP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000571137789 319727989 /nfs/dbraw/zinc/72/79/89/319727989.db2.gz PPTNOSNNVSDLQR-UHFFFAOYSA-N 2 2 335.455 2.453 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3sccc3C#N)CC2)CC1 ZINC000581423089 324250831 /nfs/dbraw/zinc/25/08/31/324250831.db2.gz IZTLALMLDURMSD-UHFFFAOYSA-N 2 2 346.500 2.252 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3sccc3C#N)CC2)CC1 ZINC000581423089 324250832 /nfs/dbraw/zinc/25/08/32/324250832.db2.gz IZTLALMLDURMSD-UHFFFAOYSA-N 2 2 346.500 2.252 20 30 EEEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079269 464281482 /nfs/dbraw/zinc/28/14/82/464281482.db2.gz ICUZPZJDXXEOSX-SJORKVTESA-N 3 2 347.507 2.195 20 30 EEEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079269 464281486 /nfs/dbraw/zinc/28/14/86/464281486.db2.gz ICUZPZJDXXEOSX-SJORKVTESA-N 3 2 347.507 2.195 20 30 EEEDLP CC[C@@H](C)NC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264130722 464286483 /nfs/dbraw/zinc/28/64/83/464286483.db2.gz XZETZDQTRQEMKE-GOSISDBHSA-N 2 2 345.535 2.287 20 30 EEEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000266124543 464766427 /nfs/dbraw/zinc/76/64/27/464766427.db2.gz JLFFMTHGIQQFSA-INIZCTEOSA-N 2 2 328.460 2.396 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nc(C(C)(C)C)no2)cc1 ZINC000267015951 464906209 /nfs/dbraw/zinc/90/62/09/464906209.db2.gz OWBUODGWQWXBBK-UHFFFAOYSA-N 2 2 331.420 2.266 20 30 EEEDLP C=C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000489484074 468141608 /nfs/dbraw/zinc/14/16/08/468141608.db2.gz RLTOSZLTDQPCJK-KRWDZBQOSA-N 2 2 328.460 2.161 20 30 EEEDLP C=C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000489484074 468141610 /nfs/dbraw/zinc/14/16/10/468141610.db2.gz RLTOSZLTDQPCJK-KRWDZBQOSA-N 2 2 328.460 2.161 20 30 EEEDLP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1)C1CC1 ZINC000569852204 468553346 /nfs/dbraw/zinc/55/33/46/468553346.db2.gz MNSSEIUMUIEEFM-IBGZPJMESA-N 2 2 328.460 2.245 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000571875008 468852320 /nfs/dbraw/zinc/85/23/20/468852320.db2.gz HIWKFMYBHMXCEX-KFKAGJAMSA-N 2 2 330.472 2.227 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000571875008 468852322 /nfs/dbraw/zinc/85/23/22/468852322.db2.gz HIWKFMYBHMXCEX-KFKAGJAMSA-N 2 2 330.472 2.227 20 30 EEEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000604528254 469486894 /nfs/dbraw/zinc/48/68/94/469486894.db2.gz FMDCSTJBBPYNGQ-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001021705412 676365912 /nfs/dbraw/zinc/36/59/12/676365912.db2.gz ZYQVKDFURZPXDC-UYAOXDASSA-N 2 2 348.450 2.432 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001021705412 676365913 /nfs/dbraw/zinc/36/59/13/676365913.db2.gz ZYQVKDFURZPXDC-UYAOXDASSA-N 2 2 348.450 2.432 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971428801 676546751 /nfs/dbraw/zinc/54/67/51/676546751.db2.gz DRUUDBAJIMELJC-ZDUSSCGKSA-N 2 2 343.456 2.008 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971428801 676546753 /nfs/dbraw/zinc/54/67/53/676546753.db2.gz DRUUDBAJIMELJC-ZDUSSCGKSA-N 2 2 343.456 2.008 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000972574238 679332351 /nfs/dbraw/zinc/33/23/51/679332351.db2.gz XOMLPVCRBVLNMX-IEBWSBKVSA-N 2 2 346.475 2.104 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000972574238 679332353 /nfs/dbraw/zinc/33/23/53/679332353.db2.gz XOMLPVCRBVLNMX-IEBWSBKVSA-N 2 2 346.475 2.104 20 30 EEEDLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC(C)C)[nH+]c12 ZINC000262403267 679498066 /nfs/dbraw/zinc/49/80/66/679498066.db2.gz VMAHXQLIVZDVBQ-UHFFFAOYSA-N 2 2 338.253 2.260 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024660009 681323401 /nfs/dbraw/zinc/32/34/01/681323401.db2.gz JZHQDNJPLLFNIG-BRWVUGGUSA-N 2 2 330.476 2.461 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024660009 681323403 /nfs/dbraw/zinc/32/34/03/681323403.db2.gz JZHQDNJPLLFNIG-BRWVUGGUSA-N 2 2 330.476 2.461 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254652 682344280 /nfs/dbraw/zinc/34/42/80/682344280.db2.gz MHTPVKUGCDEIGZ-ROUUACIJSA-N 2 2 328.460 2.142 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254652 682344283 /nfs/dbraw/zinc/34/42/83/682344283.db2.gz MHTPVKUGCDEIGZ-ROUUACIJSA-N 2 2 328.460 2.142 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297815 682411252 /nfs/dbraw/zinc/41/12/52/682411252.db2.gz QQPDPUUMPHCAQQ-RBUKOAKNSA-N 2 2 342.487 2.222 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297815 682411253 /nfs/dbraw/zinc/41/12/53/682411253.db2.gz QQPDPUUMPHCAQQ-RBUKOAKNSA-N 2 2 342.487 2.222 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025583474 683037788 /nfs/dbraw/zinc/03/77/88/683037788.db2.gz ZVZNYDVOCJVZMT-WMZOPIPTSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025583474 683037791 /nfs/dbraw/zinc/03/77/91/683037791.db2.gz ZVZNYDVOCJVZMT-WMZOPIPTSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500954 687067681 /nfs/dbraw/zinc/06/76/81/687067681.db2.gz QFSYUCOEKKTVFQ-AWEZNQCLSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500954 687067683 /nfs/dbraw/zinc/06/76/83/687067683.db2.gz QFSYUCOEKKTVFQ-AWEZNQCLSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500957 687067802 /nfs/dbraw/zinc/06/78/02/687067802.db2.gz QFSYUCOEKKTVFQ-CQSZACIVSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500957 687067806 /nfs/dbraw/zinc/06/78/06/687067806.db2.gz QFSYUCOEKKTVFQ-CQSZACIVSA-N 2 2 336.867 2.121 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001269198817 1184050761 /nfs/dbraw/zinc/05/07/61/1184050761.db2.gz CQFHEBVYWUVNLH-GOSISDBHSA-N 2 2 347.890 2.222 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001269198817 1184050766 /nfs/dbraw/zinc/05/07/66/1184050766.db2.gz CQFHEBVYWUVNLH-GOSISDBHSA-N 2 2 347.890 2.222 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001269198817 1184050773 /nfs/dbraw/zinc/05/07/73/1184050773.db2.gz CQFHEBVYWUVNLH-GOSISDBHSA-N 2 2 347.890 2.222 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001269198817 1184050781 /nfs/dbraw/zinc/05/07/81/1184050781.db2.gz CQFHEBVYWUVNLH-GOSISDBHSA-N 2 2 347.890 2.222 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544612 1188166193 /nfs/dbraw/zinc/16/61/93/1188166193.db2.gz OJFWFAYJGDPASH-JFIYKMOQSA-N 2 2 340.471 2.287 20 30 EEEDLP 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CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1)[NH+](C)C ZINC001376066606 1378274427 /nfs/dbraw/zinc/27/44/27/1378274427.db2.gz PESTZTFUODRYIM-AEFFLSMTSA-N 2 2 346.450 2.118 20 30 EEEDLP C=C(Br)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001379657105 1380801647 /nfs/dbraw/zinc/80/16/47/1380801647.db2.gz PXVSAWRLVYJFCA-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001379657105 1380801650 /nfs/dbraw/zinc/80/16/50/1380801650.db2.gz PXVSAWRLVYJFCA-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001379657105 1380801654 /nfs/dbraw/zinc/80/16/54/1380801654.db2.gz PXVSAWRLVYJFCA-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001379657105 1380801655 /nfs/dbraw/zinc/80/16/55/1380801655.db2.gz PXVSAWRLVYJFCA-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271508 757610742 /nfs/dbraw/zinc/61/07/42/757610742.db2.gz UUQTVZMFRHPUCY-HZPDHXFCSA-N 2 2 330.476 2.366 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442591 761381107 /nfs/dbraw/zinc/38/11/07/761381107.db2.gz SBEDFTBDHINZSB-JKSUJKDBSA-N 2 2 325.884 2.051 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442591 761381115 /nfs/dbraw/zinc/38/11/15/761381115.db2.gz SBEDFTBDHINZSB-JKSUJKDBSA-N 2 2 325.884 2.051 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980213320 774103497 /nfs/dbraw/zinc/10/34/97/774103497.db2.gz GPKNURPLUCISRY-RRFJBIMHSA-N 2 2 336.867 2.230 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980213320 774103500 /nfs/dbraw/zinc/10/35/00/774103500.db2.gz GPKNURPLUCISRY-RRFJBIMHSA-N 2 2 336.867 2.230 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089694970 774443040 /nfs/dbraw/zinc/44/30/40/774443040.db2.gz ZZRJMCBZDRVLGD-CVEARBPZSA-N 2 2 342.487 2.460 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089694970 774443042 /nfs/dbraw/zinc/44/30/42/774443042.db2.gz ZZRJMCBZDRVLGD-CVEARBPZSA-N 2 2 342.487 2.460 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001089839626 777533728 /nfs/dbraw/zinc/53/37/28/777533728.db2.gz VYBXPAOHGRNENA-XSLAGTTESA-N 2 2 342.487 2.098 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001089839626 777533734 /nfs/dbraw/zinc/53/37/34/777533734.db2.gz VYBXPAOHGRNENA-XSLAGTTESA-N 2 2 342.487 2.098 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981538464 777621910 /nfs/dbraw/zinc/62/19/10/777621910.db2.gz OJZPXUVIDBIIJH-HOTGVXAUSA-N 2 2 333.501 2.309 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981538464 777621913 /nfs/dbraw/zinc/62/19/13/777621913.db2.gz OJZPXUVIDBIIJH-HOTGVXAUSA-N 2 2 333.501 2.309 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982397871 779992964 /nfs/dbraw/zinc/99/29/64/779992964.db2.gz UDIKUWHUNQWOCX-BGYRXZFFSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982397871 779992970 /nfs/dbraw/zinc/99/29/70/779992970.db2.gz UDIKUWHUNQWOCX-BGYRXZFFSA-N 2 2 344.503 2.489 20 30 EEEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223178 784103306 /nfs/dbraw/zinc/10/33/06/784103306.db2.gz NWJNOTAMWZVFGQ-INIZCTEOSA-N 2 2 340.471 2.167 20 30 EEEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223178 784103313 /nfs/dbraw/zinc/10/33/13/784103313.db2.gz NWJNOTAMWZVFGQ-INIZCTEOSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035250019 784194462 /nfs/dbraw/zinc/19/44/62/784194462.db2.gz GLGBBRYMPKPCHZ-UHFFFAOYSA-N 2 2 336.867 2.328 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035250019 784194467 /nfs/dbraw/zinc/19/44/67/784194467.db2.gz GLGBBRYMPKPCHZ-UHFFFAOYSA-N 2 2 336.867 2.328 20 30 EEEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231244 784198938 /nfs/dbraw/zinc/19/89/38/784198938.db2.gz LHEINSRXDGOERH-KRWDZBQOSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231244 784198941 /nfs/dbraw/zinc/19/89/41/784198941.db2.gz LHEINSRXDGOERH-KRWDZBQOSA-N 2 2 328.460 2.172 20 30 EEEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135916181 784770905 /nfs/dbraw/zinc/77/09/05/784770905.db2.gz HACDBEWXHRVNTA-CABCVRRESA-N 2 2 327.432 2.330 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035706768 784988471 /nfs/dbraw/zinc/98/84/71/784988471.db2.gz PQUSJLNSRYELGI-INIZCTEOSA-N 2 2 337.895 2.005 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035724340 785022513 /nfs/dbraw/zinc/02/25/13/785022513.db2.gz ZBYHRMCLWLWFTC-UHFFFAOYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cc(OC)c2cc[nH]c21 ZINC001171067686 788321076 /nfs/dbraw/zinc/32/10/76/788321076.db2.gz MCMVSBBLSUOSEM-ZDUSSCGKSA-N 2 2 332.404 2.210 20 30 EEEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992031312 792394067 /nfs/dbraw/zinc/39/40/67/792394067.db2.gz NMNSRHLATLILNL-UYAOXDASSA-N 2 2 334.423 2.232 20 30 EEEDLP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992031312 792394073 /nfs/dbraw/zinc/39/40/73/792394073.db2.gz NMNSRHLATLILNL-UYAOXDASSA-N 2 2 334.423 2.232 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079204705 794454142 /nfs/dbraw/zinc/45/41/42/794454142.db2.gz HFAPDBLKMHZZBF-DLBZAZTESA-N 2 2 342.418 2.252 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080552848 796176854 /nfs/dbraw/zinc/17/68/54/796176854.db2.gz NIJLQSRRKJFUGJ-FVQBIDKESA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080552848 796176858 /nfs/dbraw/zinc/17/68/58/796176858.db2.gz NIJLQSRRKJFUGJ-FVQBIDKESA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080552848 796176863 /nfs/dbraw/zinc/17/68/63/796176863.db2.gz NIJLQSRRKJFUGJ-FVQBIDKESA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080552848 796176865 /nfs/dbraw/zinc/17/68/65/796176865.db2.gz NIJLQSRRKJFUGJ-FVQBIDKESA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595987 796653017 /nfs/dbraw/zinc/65/30/17/796653017.db2.gz IKIUJKZPMVMRRE-GJZGRUSLSA-N 2 2 338.883 2.463 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001095032107 797254637 /nfs/dbraw/zinc/25/46/37/797254637.db2.gz LUKBIYPYBYYXHM-UXLLHSPISA-N 2 2 337.427 2.036 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994160775 797342305 /nfs/dbraw/zinc/34/23/05/797342305.db2.gz OASMYXSGDLSOQE-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994160775 797342309 /nfs/dbraw/zinc/34/23/09/797342309.db2.gz OASMYXSGDLSOQE-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975677 798588215 /nfs/dbraw/zinc/58/82/15/798588215.db2.gz OGWJKULFIKHMCX-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975677 798588219 /nfs/dbraw/zinc/58/82/19/798588219.db2.gz OGWJKULFIKHMCX-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975677 798588222 /nfs/dbraw/zinc/58/82/22/798588222.db2.gz OGWJKULFIKHMCX-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975677 798588226 /nfs/dbraw/zinc/58/82/26/798588226.db2.gz OGWJKULFIKHMCX-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378510 798892998 /nfs/dbraw/zinc/89/29/98/798892998.db2.gz DSQYECYMQQMQMX-UHFFFAOYSA-N 2 2 330.476 2.295 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C)c1 ZINC001085646609 800965536 /nfs/dbraw/zinc/96/55/36/800965536.db2.gz KBKVMJGGVJQQKS-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C)c1 ZINC001085646609 800965541 /nfs/dbraw/zinc/96/55/41/800965541.db2.gz KBKVMJGGVJQQKS-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1cccc(C)c1 ZINC001085646609 800965547 /nfs/dbraw/zinc/96/55/47/800965547.db2.gz KBKVMJGGVJQQKS-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1cccc(C)c1 ZINC001085646609 800965553 /nfs/dbraw/zinc/96/55/53/800965553.db2.gz KBKVMJGGVJQQKS-PMACEKPBSA-N 2 2 339.483 2.125 20 30 EEEDLP CC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001169573401 803856909 /nfs/dbraw/zinc/85/69/09/803856909.db2.gz DWLWUYYVZFGBKI-FQEVSTJZSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001112868280 807500698 /nfs/dbraw/zinc/50/06/98/807500698.db2.gz LBUWOCMMUKKGKX-MAUKXSAKSA-N 2 2 345.491 2.289 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001112868280 807500701 /nfs/dbraw/zinc/50/07/01/807500701.db2.gz LBUWOCMMUKKGKX-MAUKXSAKSA-N 2 2 345.491 2.289 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252339 808570816 /nfs/dbraw/zinc/57/08/16/808570816.db2.gz JTLGGCFLVKMSRW-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252339 808570819 /nfs/dbraw/zinc/57/08/19/808570819.db2.gz JTLGGCFLVKMSRW-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001437728161 1090284300 /nfs/dbraw/zinc/28/43/00/1090284300.db2.gz OVKNVKRLFCSGEM-SFHVURJKSA-N 2 2 349.906 2.352 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001437728161 1090284303 /nfs/dbraw/zinc/28/43/03/1090284303.db2.gz OVKNVKRLFCSGEM-SFHVURJKSA-N 2 2 349.906 2.352 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001437728161 1090284304 /nfs/dbraw/zinc/28/43/04/1090284304.db2.gz OVKNVKRLFCSGEM-SFHVURJKSA-N 2 2 349.906 2.352 20 30 EEEDLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001493921718 1103119907 /nfs/dbraw/zinc/11/99/07/1103119907.db2.gz PRSLBTLBKNTNMW-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001493921718 1103119918 /nfs/dbraw/zinc/11/99/18/1103119918.db2.gz PRSLBTLBKNTNMW-KDURUIRLSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664979 529870280 /nfs/dbraw/zinc/87/02/80/529870280.db2.gz WVPUIAUAXWQTNA-LJQANCHMSA-N 2 2 342.487 2.191 20 30 EEEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664979 529870283 /nfs/dbraw/zinc/87/02/83/529870283.db2.gz WVPUIAUAXWQTNA-LJQANCHMSA-N 2 2 342.487 2.191 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCSCCCO)CC2)cc1 ZINC000181713002 234296725 /nfs/dbraw/zinc/29/67/25/234296725.db2.gz TWOATRJZPQNXBV-UHFFFAOYSA-N 2 2 333.501 2.228 20 30 EEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440671 205130451 /nfs/dbraw/zinc/13/04/51/205130451.db2.gz GSGNTIUHIRSWAF-HKUYNNGSSA-N 2 2 340.471 2.470 20 30 EEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440671 205130457 /nfs/dbraw/zinc/13/04/57/205130457.db2.gz GSGNTIUHIRSWAF-HKUYNNGSSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440671 205130460 /nfs/dbraw/zinc/13/04/60/205130460.db2.gz GSGNTIUHIRSWAF-HKUYNNGSSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440671 205130464 /nfs/dbraw/zinc/13/04/64/205130464.db2.gz GSGNTIUHIRSWAF-HKUYNNGSSA-N 2 2 340.471 2.470 20 30 EEEDLP CN(C)c1[nH+]cc(C[NH2+]CCSCc2ccccc2C#N)n1C ZINC000414262565 267296025 /nfs/dbraw/zinc/29/60/25/267296025.db2.gz OUUHYWSKLOGIGE-UHFFFAOYSA-N 2 2 329.473 2.381 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000299456041 268072884 /nfs/dbraw/zinc/07/28/84/268072884.db2.gz AKHKXUYANMZFIM-UHFFFAOYSA-N 3 2 335.455 2.255 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000421373085 268233141 /nfs/dbraw/zinc/23/31/41/268233141.db2.gz YZPBFKMFZXPFFO-HXUWFJFHSA-N 2 2 339.414 2.424 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000421373085 268233145 /nfs/dbraw/zinc/23/31/45/268233145.db2.gz YZPBFKMFZXPFFO-HXUWFJFHSA-N 2 2 339.414 2.424 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000329214435 465269124 /nfs/dbraw/zinc/26/91/24/465269124.db2.gz LDLGTSRYVUTHRZ-IVSAIRAKSA-N 2 2 335.496 2.346 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000329214435 465269129 /nfs/dbraw/zinc/26/91/29/465269129.db2.gz LDLGTSRYVUTHRZ-IVSAIRAKSA-N 2 2 335.496 2.346 20 30 EEEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131851598 462831114 /nfs/dbraw/zinc/83/11/14/462831114.db2.gz UCUNGZOLVDMPIH-OAHLLOKOSA-N 2 2 342.424 2.497 20 30 EEEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131851598 462831119 /nfs/dbraw/zinc/83/11/19/462831119.db2.gz UCUNGZOLVDMPIH-OAHLLOKOSA-N 2 2 342.424 2.497 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000127122395 463682987 /nfs/dbraw/zinc/68/29/87/463682987.db2.gz VLIVLNMAHMRMGP-UHFFFAOYSA-N 2 2 348.878 2.310 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000127122395 463682988 /nfs/dbraw/zinc/68/29/88/463682988.db2.gz VLIVLNMAHMRMGP-UHFFFAOYSA-N 2 2 348.878 2.310 20 30 EEEDLP CC[NH+]=C(NCc1ccn(C)c1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261972151 463915001 /nfs/dbraw/zinc/91/50/01/463915001.db2.gz NBSFEBBESUNVFW-RDJZCZTQSA-N 2 2 328.464 2.270 20 30 EEEDLP CCN(CC)C(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264093817 464282635 /nfs/dbraw/zinc/28/26/35/464282635.db2.gz LYWNMUPWXHQNMJ-UHFFFAOYSA-N 2 2 345.535 2.241 20 30 EEEDLP COc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)cc1OC ZINC000264124014 464285299 /nfs/dbraw/zinc/28/52/99/464285299.db2.gz RSMOHZRIVHQBHM-MRXNPFEDSA-N 2 2 348.491 2.353 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000298644655 465458461 /nfs/dbraw/zinc/45/84/61/465458461.db2.gz ANKULBPDNSTNKV-SJORKVTESA-N 2 2 333.480 2.269 20 30 EEEDLP CS[C@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271850032 464395082 /nfs/dbraw/zinc/39/50/82/464395082.db2.gz IMRBYGUCYMYDFK-RDTXWAMCSA-N 2 2 333.501 2.225 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245772137 464514614 /nfs/dbraw/zinc/51/46/14/464514614.db2.gz RZKCSMBISRDCFI-AEFFLSMTSA-N 2 2 329.444 2.132 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245772137 464514622 /nfs/dbraw/zinc/51/46/22/464514622.db2.gz RZKCSMBISRDCFI-AEFFLSMTSA-N 2 2 329.444 2.132 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccccc2C#N)cc1 ZINC000272913699 464695608 /nfs/dbraw/zinc/69/56/08/464695608.db2.gz OVZVCIYFKSCFRQ-UHFFFAOYSA-N 2 2 338.411 2.336 20 30 EEEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@H](C)C#N ZINC000299175195 465637576 /nfs/dbraw/zinc/63/75/76/465637576.db2.gz WPRQEPJXNUIYBP-IAGOWNOFSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@H](C)C#N ZINC000299175195 465637583 /nfs/dbraw/zinc/63/75/83/465637583.db2.gz WPRQEPJXNUIYBP-IAGOWNOFSA-N 2 2 342.487 2.247 20 30 EEEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)[nH+]1 ZINC000362635614 465899742 /nfs/dbraw/zinc/89/97/42/465899742.db2.gz CGNJTGBQGVKECG-MRXNPFEDSA-N 2 2 329.448 2.029 20 30 EEEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)[nH+]1 ZINC000362635614 465899748 /nfs/dbraw/zinc/89/97/48/465899748.db2.gz CGNJTGBQGVKECG-MRXNPFEDSA-N 2 2 329.448 2.029 20 30 EEEDLP CN(C(=O)NCCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000331120288 465942402 /nfs/dbraw/zinc/94/24/02/465942402.db2.gz ASPGHIVQKAPOGW-SJORKVTESA-N 2 2 335.496 2.083 20 30 EEEDLP CN(C(=O)NCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000331120288 465942409 /nfs/dbraw/zinc/94/24/09/465942409.db2.gz ASPGHIVQKAPOGW-SJORKVTESA-N 2 2 335.496 2.083 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422865076 466685378 /nfs/dbraw/zinc/68/53/78/466685378.db2.gz XBCMFRZAFFQGAO-AZUAARDMSA-N 3 2 327.472 2.482 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000374714392 466722519 /nfs/dbraw/zinc/72/25/19/466722519.db2.gz HAZSJIPSSVYKEC-NVXWUHKLSA-N 2 2 328.522 2.220 20 30 EEEDLP C=CCn1cccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000488743759 468100664 /nfs/dbraw/zinc/10/06/64/468100664.db2.gz AFHAAOSGLSGJEN-UHFFFAOYSA-N 2 2 344.503 2.354 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000575377536 468140701 /nfs/dbraw/zinc/14/07/01/468140701.db2.gz VFHQNBLKVYZQMU-QRQLOZEOSA-N 2 2 332.488 2.473 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000575377536 468140705 /nfs/dbraw/zinc/14/07/05/468140705.db2.gz VFHQNBLKVYZQMU-QRQLOZEOSA-N 2 2 332.488 2.473 20 30 EEEDLP N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000611551808 469277626 /nfs/dbraw/zinc/27/76/26/469277626.db2.gz UTESJFRNDWLUGY-SFHVURJKSA-N 2 2 327.407 2.295 20 30 EEEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(C#N)n2)c2ccccc2)CC1 ZINC000602500155 469340815 /nfs/dbraw/zinc/34/08/15/469340815.db2.gz NYRHSGVRFLKRAB-FQEVSTJZSA-N 2 2 335.455 2.032 20 30 EEEDLP C[C@@H](CCC#N)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000602525538 469349734 /nfs/dbraw/zinc/34/97/34/469349734.db2.gz ACZZAMWWOVIZDA-KRWDZBQOSA-N 2 2 331.460 2.427 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)CC1 ZINC000748814264 577967195 /nfs/dbraw/zinc/96/71/95/577967195.db2.gz XTXXMAUGOPJRHS-FQEVSTJZSA-N 2 2 339.483 2.381 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2c2ccccc2)CC1 ZINC000748814264 577967196 /nfs/dbraw/zinc/96/71/96/577967196.db2.gz XTXXMAUGOPJRHS-FQEVSTJZSA-N 2 2 339.483 2.381 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](c2ccccc2)C(C)C)CC1 ZINC000748816177 577967258 /nfs/dbraw/zinc/96/72/58/577967258.db2.gz GXRNRILOSXYJSX-FQEVSTJZSA-N 2 2 327.472 2.093 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](c2ccccc2)C(C)C)CC1 ZINC000748816177 577967259 /nfs/dbraw/zinc/96/72/59/577967259.db2.gz GXRNRILOSXYJSX-FQEVSTJZSA-N 2 2 327.472 2.093 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000748815652 577967292 /nfs/dbraw/zinc/96/72/92/577967292.db2.gz DMMKUHMLZOYAPE-NRFANRHFSA-N 2 2 339.483 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449205 679314555 /nfs/dbraw/zinc/31/45/55/679314555.db2.gz JRGREPPNHNUDQG-IRXDYDNUSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449205 679314557 /nfs/dbraw/zinc/31/45/57/679314557.db2.gz JRGREPPNHNUDQG-IRXDYDNUSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023553997 679374517 /nfs/dbraw/zinc/37/45/17/679374517.db2.gz DUABFHQASCBPFE-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023553997 679374519 /nfs/dbraw/zinc/37/45/19/679374519.db2.gz DUABFHQASCBPFE-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001023553997 679374522 /nfs/dbraw/zinc/37/45/22/679374522.db2.gz DUABFHQASCBPFE-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001023553997 679374525 /nfs/dbraw/zinc/37/45/25/679374525.db2.gz DUABFHQASCBPFE-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858423 679825122 /nfs/dbraw/zinc/82/51/22/679825122.db2.gz YBLAISYLGDOTIN-HOTGVXAUSA-N 2 2 346.500 2.041 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858423 679825123 /nfs/dbraw/zinc/82/51/23/679825123.db2.gz YBLAISYLGDOTIN-HOTGVXAUSA-N 2 2 346.500 2.041 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858423 679825124 /nfs/dbraw/zinc/82/51/24/679825124.db2.gz YBLAISYLGDOTIN-HOTGVXAUSA-N 2 2 346.500 2.041 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858423 679825125 /nfs/dbraw/zinc/82/51/25/679825125.db2.gz YBLAISYLGDOTIN-HOTGVXAUSA-N 2 2 346.500 2.041 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001026896653 685279016 /nfs/dbraw/zinc/27/90/16/685279016.db2.gz CXMQXRLFOBLPHD-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001026896653 685279025 /nfs/dbraw/zinc/27/90/25/685279025.db2.gz CXMQXRLFOBLPHD-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024514821 680016390 /nfs/dbraw/zinc/01/63/90/680016390.db2.gz FYQLWZODKKBPTO-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024514821 680016397 /nfs/dbraw/zinc/01/63/97/680016397.db2.gz FYQLWZODKKBPTO-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024517065 680022867 /nfs/dbraw/zinc/02/28/67/680022867.db2.gz QMBONULZAQPFCS-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024517065 680022870 /nfs/dbraw/zinc/02/28/70/680022870.db2.gz QMBONULZAQPFCS-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287980 682395147 /nfs/dbraw/zinc/39/51/47/682395147.db2.gz ILZPJVIAIHYWDX-ZWKOTPCHSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287980 682395152 /nfs/dbraw/zinc/39/51/52/682395152.db2.gz ILZPJVIAIHYWDX-ZWKOTPCHSA-N 2 2 330.476 2.384 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422594 682730857 /nfs/dbraw/zinc/73/08/57/682730857.db2.gz LDIZWZJZDXGJKO-AEFFLSMTSA-N 2 2 338.455 2.496 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422594 682730859 /nfs/dbraw/zinc/73/08/59/682730859.db2.gz LDIZWZJZDXGJKO-AEFFLSMTSA-N 2 2 338.455 2.496 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC000992724539 683305643 /nfs/dbraw/zinc/30/56/43/683305643.db2.gz DDVHIKXVLBEEOU-BRWVUGGUSA-N 2 2 330.476 2.329 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000104866381 693890463 /nfs/dbraw/zinc/89/04/63/693890463.db2.gz ZGBDLDINPCIWOL-IBGZPJMESA-N 2 2 327.472 2.237 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000987308731 689618444 /nfs/dbraw/zinc/61/84/44/689618444.db2.gz DVGJSYXNHYYVJR-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000987343542 689630449 /nfs/dbraw/zinc/63/04/49/689630449.db2.gz WPNSLNAJSVALPF-GDBMZVCRSA-N 2 2 325.416 2.036 20 30 EEEDLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC#CC[NH+](C)C)n2)C1 ZINC000905151379 694552091 /nfs/dbraw/zinc/55/20/91/694552091.db2.gz NSJMQALJOLSOIU-AWEZNQCLSA-N 2 2 349.504 2.062 20 30 EEEDLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC#CC[NH+](C)C)n2)C1 ZINC000905151379 694552094 /nfs/dbraw/zinc/55/20/94/694552094.db2.gz NSJMQALJOLSOIU-AWEZNQCLSA-N 2 2 349.504 2.062 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H]1C ZINC001088630898 1188019806 /nfs/dbraw/zinc/01/98/06/1188019806.db2.gz GSDVYUDTWMCYDK-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H]1C ZINC001088630898 1188019811 /nfs/dbraw/zinc/01/98/11/1188019811.db2.gz GSDVYUDTWMCYDK-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@@H]1C ZINC001088630898 1188019816 /nfs/dbraw/zinc/01/98/16/1188019816.db2.gz GSDVYUDTWMCYDK-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@@H]1C ZINC001088630898 1188019821 /nfs/dbraw/zinc/01/98/21/1188019821.db2.gz GSDVYUDTWMCYDK-HOJAQTOUSA-N 2 2 339.483 2.172 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005504922 1195748188 /nfs/dbraw/zinc/74/81/88/1195748188.db2.gz VHWUIADAUZNFFE-OAHLLOKOSA-N 2 2 336.867 2.436 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001014768622 1224317802 /nfs/dbraw/zinc/31/78/02/1224317802.db2.gz FAMOUJIIRJAGNQ-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC001014768622 1224317810 /nfs/dbraw/zinc/31/78/10/1224317810.db2.gz FAMOUJIIRJAGNQ-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(CC)c2)C1 ZINC001014768622 1224317818 /nfs/dbraw/zinc/31/78/18/1224317818.db2.gz FAMOUJIIRJAGNQ-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(CC)c2)C1 ZINC001014768622 1224317826 /nfs/dbraw/zinc/31/78/26/1224317826.db2.gz FAMOUJIIRJAGNQ-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005625868 1196570305 /nfs/dbraw/zinc/57/03/05/1196570305.db2.gz URKGGUBCWPTMMY-OAHLLOKOSA-N 2 2 330.476 2.322 20 30 EEEDLP 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330.476 2.243 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041397969 1231531020 /nfs/dbraw/zinc/53/10/20/1231531020.db2.gz CVJXYJIFNJTKMJ-LJQANCHMSA-N 2 2 330.476 2.427 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041397969 1231531021 /nfs/dbraw/zinc/53/10/21/1231531021.db2.gz CVJXYJIFNJTKMJ-LJQANCHMSA-N 2 2 330.476 2.427 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980039 1234270228 /nfs/dbraw/zinc/27/02/28/1234270228.db2.gz PPUALSYCBSPFTG-HXUWFJFHSA-N 2 2 342.487 2.415 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980039 1234270230 /nfs/dbraw/zinc/27/02/30/1234270230.db2.gz PPUALSYCBSPFTG-HXUWFJFHSA-N 2 2 342.487 2.415 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001050103819 1242877531 /nfs/dbraw/zinc/87/75/31/1242877531.db2.gz DDJFAQZNGHBROV-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP 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NMLHCRGRTWQREQ-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998046211 791883136 /nfs/dbraw/zinc/88/31/36/791883136.db2.gz NMLHCRGRTWQREQ-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298878 792308467 /nfs/dbraw/zinc/30/84/67/792308467.db2.gz WHZZJHHRTGCZEZ-GVDBMIGSSA-N 2 2 342.487 2.413 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298878 792308475 /nfs/dbraw/zinc/30/84/75/792308475.db2.gz WHZZJHHRTGCZEZ-GVDBMIGSSA-N 2 2 342.487 2.413 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092159811 793613798 /nfs/dbraw/zinc/61/37/98/793613798.db2.gz ISSKLCQHYIXQRS-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092159811 793613804 /nfs/dbraw/zinc/61/38/04/793613804.db2.gz ISSKLCQHYIXQRS-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967362 806306902 /nfs/dbraw/zinc/30/69/02/806306902.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 2 2 339.483 2.424 20 30 EEEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967362 806306912 /nfs/dbraw/zinc/30/69/12/806306912.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 2 2 339.483 2.424 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967362 806306920 /nfs/dbraw/zinc/30/69/20/806306920.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 2 2 339.483 2.424 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967362 806306930 /nfs/dbraw/zinc/30/69/30/806306930.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 2 2 339.483 2.424 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450583 796259102 /nfs/dbraw/zinc/25/91/02/796259102.db2.gz VGRGDXSAWDAWAN-ILZDJORESA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450583 796259106 /nfs/dbraw/zinc/25/91/06/796259106.db2.gz VGRGDXSAWDAWAN-ILZDJORESA-N 2 2 342.487 2.382 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509487 796336466 /nfs/dbraw/zinc/33/64/66/796336466.db2.gz INVQDBPFZLAFHN-WRWLIDTKSA-N 2 2 340.471 2.214 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509487 796336473 /nfs/dbraw/zinc/33/64/73/796336473.db2.gz INVQDBPFZLAFHN-WRWLIDTKSA-N 2 2 340.471 2.214 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078657166 796777930 /nfs/dbraw/zinc/77/79/30/796777930.db2.gz QFOAFKHZWIPKRD-DLBZAZTESA-N 2 2 329.444 2.226 20 30 EEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001172303342 796949641 /nfs/dbraw/zinc/94/96/41/796949641.db2.gz XAGJVXAXJNUPBF-XOKHGSTOSA-N 2 2 344.459 2.025 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442608 797095703 /nfs/dbraw/zinc/09/57/03/797095703.db2.gz RKLCMMOFPBWRGC-KZNAEPCWSA-N 2 2 348.491 2.252 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442608 797095711 /nfs/dbraw/zinc/09/57/11/797095711.db2.gz RKLCMMOFPBWRGC-KZNAEPCWSA-N 2 2 348.491 2.252 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001108039612 797126647 /nfs/dbraw/zinc/12/66/47/797126647.db2.gz DBKZSTPGRIRFHU-IBGZPJMESA-N 2 2 337.508 2.033 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001108039612 797126654 /nfs/dbraw/zinc/12/66/54/797126654.db2.gz DBKZSTPGRIRFHU-IBGZPJMESA-N 2 2 337.508 2.033 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001108039612 797126661 /nfs/dbraw/zinc/12/66/61/797126661.db2.gz DBKZSTPGRIRFHU-IBGZPJMESA-N 2 2 337.508 2.033 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 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337.427 2.174 20 30 EEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184850598 802198848 /nfs/dbraw/zinc/19/88/48/802198848.db2.gz DVOPJLPVQCQOMO-DLBZAZTESA-N 2 2 332.492 2.393 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001108334354 803309879 /nfs/dbraw/zinc/30/98/79/803309879.db2.gz IXYGXDUNRINNAT-IEBWSBKVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001108334354 803309884 /nfs/dbraw/zinc/30/98/84/803309884.db2.gz IXYGXDUNRINNAT-IEBWSBKVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001108334354 803309890 /nfs/dbraw/zinc/30/98/90/803309890.db2.gz IXYGXDUNRINNAT-IEBWSBKVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001108334354 803309896 /nfs/dbraw/zinc/30/98/96/803309896.db2.gz IXYGXDUNRINNAT-IEBWSBKVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001108731467 804415703 /nfs/dbraw/zinc/41/57/03/804415703.db2.gz SFEFPNAEKSQTFI-BBWFWOEESA-N 2 2 330.476 2.288 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460874 805512970 /nfs/dbraw/zinc/51/29/70/805512970.db2.gz CZQFCHAXQNABDZ-MVJTYMMSSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460874 805512974 /nfs/dbraw/zinc/51/29/74/805512974.db2.gz CZQFCHAXQNABDZ-MVJTYMMSSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001113392846 808879204 /nfs/dbraw/zinc/87/92/04/808879204.db2.gz YMEYYUXNMXGITC-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274767500 201270746 /nfs/dbraw/zinc/27/07/46/201270746.db2.gz LNVURRUCZPODHH-FUHWJXTLSA-N 2 2 336.501 2.087 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274767500 201270748 /nfs/dbraw/zinc/27/07/48/201270748.db2.gz LNVURRUCZPODHH-FUHWJXTLSA-N 2 2 336.501 2.087 20 30 EEEDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000247687026 160331310 /nfs/dbraw/zinc/33/13/10/160331310.db2.gz SFTIXMOALBRDOH-MNEFBYGVSA-N 2 2 349.438 2.443 20 30 EEEDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000247687026 160331311 /nfs/dbraw/zinc/33/13/11/160331311.db2.gz SFTIXMOALBRDOH-MNEFBYGVSA-N 2 2 349.438 2.443 20 30 EEEDLP CC[NH+]1CCC([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000331576598 270019030 /nfs/dbraw/zinc/01/90/30/270019030.db2.gz QQYMNLYCHZKPNA-IBGZPJMESA-N 2 2 340.471 2.470 20 30 EEEDLP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000331576598 270019031 /nfs/dbraw/zinc/01/90/31/270019031.db2.gz QQYMNLYCHZKPNA-IBGZPJMESA-N 2 2 340.471 2.470 20 30 EEEDLP Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000548622544 318398925 /nfs/dbraw/zinc/39/89/25/318398925.db2.gz KOXVDWUHBDHRPA-KRWDZBQOSA-N 2 2 332.411 2.260 20 30 EEEDLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCOCCC#N)CC2 ZINC000339175200 465126257 /nfs/dbraw/zinc/12/62/57/465126257.db2.gz PORHEZHPISNYBV-HNNXBMFYSA-N 2 2 334.489 2.360 20 30 EEEDLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCOCCC#N)CC2 ZINC000339175200 465126262 /nfs/dbraw/zinc/12/62/62/465126262.db2.gz PORHEZHPISNYBV-HNNXBMFYSA-N 2 2 334.489 2.360 20 30 EEEDLP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000328799792 465132157 /nfs/dbraw/zinc/13/21/57/465132157.db2.gz XWMKZOOZVIWIRN-MRXNPFEDSA-N 2 2 345.491 2.297 20 30 EEEDLP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000298345183 465369374 /nfs/dbraw/zinc/36/93/74/465369374.db2.gz JLHGMQUJLXGQHE-UHFFFAOYSA-N 2 2 337.427 2.185 20 30 EEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571983 463462217 /nfs/dbraw/zinc/46/22/17/463462217.db2.gz ZDAROFSRUNXCJU-IRXDYDNUSA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571983 463462222 /nfs/dbraw/zinc/46/22/22/463462222.db2.gz ZDAROFSRUNXCJU-IRXDYDNUSA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571983 463462229 /nfs/dbraw/zinc/46/22/29/463462229.db2.gz ZDAROFSRUNXCJU-IRXDYDNUSA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571983 463462234 /nfs/dbraw/zinc/46/22/34/463462234.db2.gz ZDAROFSRUNXCJU-IRXDYDNUSA-N 2 2 334.508 2.381 20 30 EEEDLP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000170904324 463738263 /nfs/dbraw/zinc/73/82/63/463738263.db2.gz UFFPVURHWQVILG-INIZCTEOSA-N 2 2 338.459 2.019 20 30 EEEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287001781 463768325 /nfs/dbraw/zinc/76/83/25/463768325.db2.gz FCIPOHIOJFLJEI-PBHICJAKSA-N 2 2 336.480 2.016 20 30 EEEDLP COC[C@@H]([NH2+]CC#CC[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000283878972 464031316 /nfs/dbraw/zinc/03/13/16/464031316.db2.gz AOXXDGBYLLQSTQ-IYBDPMFKSA-N 2 2 332.400 2.130 20 30 EEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918456 464412897 /nfs/dbraw/zinc/41/28/97/464412897.db2.gz ZLAWUFUZUUMXDR-YJBOKZPZSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918456 464412904 /nfs/dbraw/zinc/41/29/04/464412904.db2.gz ZLAWUFUZUUMXDR-YJBOKZPZSA-N 2 2 328.460 2.152 20 30 EEEDLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000330320086 465611205 /nfs/dbraw/zinc/61/12/05/465611205.db2.gz DVDJKNASOWLSMF-WBVHZDCISA-N 2 2 349.479 2.018 20 30 EEEDLP C=C(Br)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371340708 465730910 /nfs/dbraw/zinc/73/09/10/465730910.db2.gz HRLJZMPIYVILKM-UHFFFAOYSA-N 2 2 330.314 2.385 20 30 EEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000330859967 465834125 /nfs/dbraw/zinc/83/41/25/465834125.db2.gz KJDHAAKTOMXSPY-SJORKVTESA-N 2 2 334.508 2.476 20 30 EEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000330859967 465834132 /nfs/dbraw/zinc/83/41/32/465834132.db2.gz KJDHAAKTOMXSPY-SJORKVTESA-N 2 2 334.508 2.476 20 30 EEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000330859967 465834140 /nfs/dbraw/zinc/83/41/40/465834140.db2.gz KJDHAAKTOMXSPY-SJORKVTESA-N 2 2 334.508 2.476 20 30 EEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000330859967 465834146 /nfs/dbraw/zinc/83/41/46/465834146.db2.gz KJDHAAKTOMXSPY-SJORKVTESA-N 2 2 334.508 2.476 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000341116010 466596257 /nfs/dbraw/zinc/59/62/57/466596257.db2.gz DDSJUDZWAODFKJ-CRAIPNDOSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000341116010 466596261 /nfs/dbraw/zinc/59/62/61/466596261.db2.gz DDSJUDZWAODFKJ-CRAIPNDOSA-N 2 2 330.451 2.155 20 30 EEEDLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000373109830 466696314 /nfs/dbraw/zinc/69/63/14/466696314.db2.gz HHUWYLAASYWWTL-INIZCTEOSA-N 2 2 343.475 2.284 20 30 EEEDLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000373109830 466696319 /nfs/dbraw/zinc/69/63/19/466696319.db2.gz HHUWYLAASYWWTL-INIZCTEOSA-N 2 2 343.475 2.284 20 30 EEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411178074 466778024 /nfs/dbraw/zinc/77/80/24/466778024.db2.gz KKIGNQOLLXHBSV-QGZVFWFLSA-N 2 2 345.487 2.236 20 30 EEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411178074 466778031 /nfs/dbraw/zinc/77/80/31/466778031.db2.gz KKIGNQOLLXHBSV-QGZVFWFLSA-N 2 2 345.487 2.236 20 30 EEEDLP C=CCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424300989 467024718 /nfs/dbraw/zinc/02/47/18/467024718.db2.gz YYJJWYAGDACNEJ-AEFFLSMTSA-N 2 2 325.460 2.464 20 30 EEEDLP C=CCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000424300989 467024724 /nfs/dbraw/zinc/02/47/24/467024724.db2.gz YYJJWYAGDACNEJ-AEFFLSMTSA-N 2 2 325.460 2.464 20 30 EEEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000518417552 468115370 /nfs/dbraw/zinc/11/53/70/468115370.db2.gz CANCQQXDNMSAMT-GOSISDBHSA-N 2 2 336.395 2.435 20 30 EEEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000518417552 468115372 /nfs/dbraw/zinc/11/53/72/468115372.db2.gz CANCQQXDNMSAMT-GOSISDBHSA-N 2 2 336.395 2.435 20 30 EEEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000566627909 468155611 /nfs/dbraw/zinc/15/56/11/468155611.db2.gz AYYHVFSIDUAWJJ-GOSISDBHSA-N 2 2 342.487 2.358 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000614621840 468992695 /nfs/dbraw/zinc/99/26/95/468992695.db2.gz PMZFEKCTMVGXGE-HNNXBMFYSA-N 2 2 346.862 2.110 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000614621840 468992700 /nfs/dbraw/zinc/99/27/00/468992700.db2.gz PMZFEKCTMVGXGE-HNNXBMFYSA-N 2 2 346.862 2.110 20 30 EEEDLP C=C[C@@H]([NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)C(=O)OC ZINC000619701206 469666407 /nfs/dbraw/zinc/66/64/07/469666407.db2.gz APORJJVOUJGWJH-OAHLLOKOSA-N 2 2 337.489 2.235 20 30 EEEDLP C=CC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000111258108 526978798 /nfs/dbraw/zinc/97/87/98/526978798.db2.gz CUDNJPQORZDLQO-UHFFFAOYSA-N 2 2 333.501 2.290 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000160052997 529152631 /nfs/dbraw/zinc/15/26/31/529152631.db2.gz JPODWLBEEIMSSB-IBGZPJMESA-N 2 2 331.891 2.403 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000160052997 529152632 /nfs/dbraw/zinc/15/26/32/529152632.db2.gz JPODWLBEEIMSSB-IBGZPJMESA-N 2 2 331.891 2.403 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000742958161 577878314 /nfs/dbraw/zinc/87/83/14/577878314.db2.gz FRLWJWRODOMOQU-ICSRJNTNSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000742958161 577878315 /nfs/dbraw/zinc/87/83/15/577878315.db2.gz FRLWJWRODOMOQU-ICSRJNTNSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000742958161 577878316 /nfs/dbraw/zinc/87/83/16/577878316.db2.gz FRLWJWRODOMOQU-ICSRJNTNSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000742958161 577878317 /nfs/dbraw/zinc/87/83/17/577878317.db2.gz FRLWJWRODOMOQU-ICSRJNTNSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2ccc3ccccc3c2)CC1 ZINC000748814313 577967154 /nfs/dbraw/zinc/96/71/54/577967154.db2.gz ZEDPHDXDIILRCE-UHFFFAOYSA-N 2 2 349.478 2.439 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2ccc3ccccc3c2)CC1 ZINC000748814313 577967155 /nfs/dbraw/zinc/96/71/55/577967155.db2.gz ZEDPHDXDIILRCE-UHFFFAOYSA-N 2 2 349.478 2.439 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000735399069 578152023 /nfs/dbraw/zinc/15/20/23/578152023.db2.gz OTBZNACSQJHPAE-UHFFFAOYSA-N 2 2 327.436 2.331 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001020388797 674589012 /nfs/dbraw/zinc/58/90/12/674589012.db2.gz MKAXCRGKSSQFQL-QAQDUYKDSA-N 2 2 345.406 2.257 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319243 675787931 /nfs/dbraw/zinc/78/79/31/675787931.db2.gz SEACAOGCMVBXCJ-GJZGRUSLSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319243 675787933 /nfs/dbraw/zinc/78/79/33/675787933.db2.gz SEACAOGCMVBXCJ-GJZGRUSLSA-N 2 2 327.900 2.297 20 30 EEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1ccccc1Br ZINC000261647563 676364436 /nfs/dbraw/zinc/36/44/36/676364436.db2.gz GYOWNVBWZXOQOT-UHFFFAOYSA-N 2 2 339.281 2.162 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001022094780 676649264 /nfs/dbraw/zinc/64/92/64/676649264.db2.gz IGYBZZNJLMQRDW-DMRZNYOFSA-N 2 2 348.878 2.143 20 30 EEEDLP 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757254737 /nfs/dbraw/zinc/25/47/37/757254737.db2.gz VHJMEKYJYWWIJJ-MRXNPFEDSA-N 2 2 333.432 2.488 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363708 759783415 /nfs/dbraw/zinc/78/34/15/759783415.db2.gz COUMFDZSIBVSPO-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104441234 760868186 /nfs/dbraw/zinc/86/81/86/760868186.db2.gz AQONIFBKXYWURJ-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442588 761380254 /nfs/dbraw/zinc/38/02/54/761380254.db2.gz SBEDFTBDHINZSB-CVEARBPZSA-N 2 2 325.884 2.051 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442588 761380264 /nfs/dbraw/zinc/38/02/64/761380264.db2.gz SBEDFTBDHINZSB-CVEARBPZSA-N 2 2 325.884 2.051 20 30 EEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104869216 765471290 /nfs/dbraw/zinc/47/12/90/765471290.db2.gz 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ZINC001085675102 801015423 /nfs/dbraw/zinc/01/54/23/801015423.db2.gz LGXIZZARARFSAI-RBUKOAKNSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085675102 801015428 /nfs/dbraw/zinc/01/54/28/801015428.db2.gz LGXIZZARARFSAI-RBUKOAKNSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085675102 801015434 /nfs/dbraw/zinc/01/54/34/801015434.db2.gz LGXIZZARARFSAI-RBUKOAKNSA-N 2 2 340.471 2.075 20 30 EEEDLP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098850654 801703238 /nfs/dbraw/zinc/70/32/38/801703238.db2.gz YYFUPJMRNDIOIP-PKOBYXMFSA-N 2 2 342.487 2.293 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490357 802196919 /nfs/dbraw/zinc/19/69/19/802196919.db2.gz QNEGBJROCQYGRX-QGZVFWFLSA-N 2 2 336.439 2.284 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490357 802196926 /nfs/dbraw/zinc/19/69/26/802196926.db2.gz QNEGBJROCQYGRX-QGZVFWFLSA-N 2 2 336.439 2.284 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001006285150 802203115 /nfs/dbraw/zinc/20/31/15/802203115.db2.gz UWYUIVPFPPROSK-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704056 802852959 /nfs/dbraw/zinc/85/29/59/802852959.db2.gz MQMKHWJUXOMNOX-HDICACEKSA-N 2 2 330.476 2.410 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704056 802852962 /nfs/dbraw/zinc/85/29/62/802852962.db2.gz MQMKHWJUXOMNOX-HDICACEKSA-N 2 2 330.476 2.410 20 30 EEEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433209 805456738 /nfs/dbraw/zinc/45/67/38/805456738.db2.gz DGKLXGOCOBBBFY-OWSLCNJRSA-N 2 2 328.460 2.215 20 30 EEEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433209 805456741 /nfs/dbraw/zinc/45/67/41/805456741.db2.gz DGKLXGOCOBBBFY-OWSLCNJRSA-N 2 2 328.460 2.215 20 30 EEEDLP N#Cc1ccc(C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCC2)cc1 ZINC001495195562 1100874897 /nfs/dbraw/zinc/87/48/97/1100874897.db2.gz SCQKOPIWECHVEU-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000267612675 256072373 /nfs/dbraw/zinc/07/23/73/256072373.db2.gz OIDBNOUHZVKFFM-OAHLLOKOSA-N 2 2 341.440 2.259 20 30 EEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000369544674 166282485 /nfs/dbraw/zinc/28/24/85/166282485.db2.gz YRPZNBGPDKXUIX-IBGZPJMESA-N 2 2 340.471 2.125 20 30 EEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000369544674 166282488 /nfs/dbraw/zinc/28/24/88/166282488.db2.gz YRPZNBGPDKXUIX-IBGZPJMESA-N 2 2 340.471 2.125 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865685 270022684 /nfs/dbraw/zinc/02/26/84/270022684.db2.gz WJNLWZFXHAQYRA-OCCSQVGLSA-N 2 2 341.415 2.318 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865685 270022685 /nfs/dbraw/zinc/02/26/85/270022685.db2.gz WJNLWZFXHAQYRA-OCCSQVGLSA-N 2 2 341.415 2.318 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cnc12 ZINC000517044840 268318476 /nfs/dbraw/zinc/31/84/76/268318476.db2.gz KCWZRDSWYCBJBK-UHFFFAOYSA-N 2 2 346.438 2.355 20 30 EEEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)CC[C@@H]21 ZINC000328606692 465067980 /nfs/dbraw/zinc/06/79/80/465067980.db2.gz KPWZZGWKRRIVBF-XHSDSOJGSA-N 2 2 331.464 2.091 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)CC[C@@H]21 ZINC000328606692 465067973 /nfs/dbraw/zinc/06/79/73/465067973.db2.gz KPWZZGWKRRIVBF-XHSDSOJGSA-N 2 2 331.464 2.091 20 30 EEEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329246875 465279979 /nfs/dbraw/zinc/27/99/79/465279979.db2.gz AWMIGMKVHJFQLU-OWCLPIDISA-N 2 2 331.464 2.233 20 30 EEEDLP CN(C(=O)[C@]1(C#N)CC12CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590636544 468294264 /nfs/dbraw/zinc/29/42/64/468294264.db2.gz WIUHZWSQEVGIKJ-FXAWDEMLSA-N 2 2 344.503 2.087 20 30 EEEDLP CN(C(=O)[C@]1(C#N)CC12CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590636544 468294270 /nfs/dbraw/zinc/29/42/70/468294270.db2.gz WIUHZWSQEVGIKJ-FXAWDEMLSA-N 2 2 344.503 2.087 20 30 EEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264102539 464284246 /nfs/dbraw/zinc/28/42/46/464284246.db2.gz YVPVGULTBNRNBC-CYBMUJFWSA-N 2 2 332.473 2.453 20 30 EEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000264102539 464284251 /nfs/dbraw/zinc/28/42/51/464284251.db2.gz YVPVGULTBNRNBC-CYBMUJFWSA-N 2 2 332.473 2.453 20 30 EEEDLP CC(C)(CCC#N)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000174325930 464394334 /nfs/dbraw/zinc/39/43/34/464394334.db2.gz DCCLEWJXOYQSFN-UHFFFAOYSA-N 2 2 343.475 2.040 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174401939 464403362 /nfs/dbraw/zinc/40/33/62/464403362.db2.gz CAAFNSAENGHFBK-IBGZPJMESA-N 2 2 342.487 2.202 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174401939 464403365 /nfs/dbraw/zinc/40/33/65/464403365.db2.gz CAAFNSAENGHFBK-IBGZPJMESA-N 2 2 342.487 2.202 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174401939 464403366 /nfs/dbraw/zinc/40/33/66/464403366.db2.gz CAAFNSAENGHFBK-IBGZPJMESA-N 2 2 342.487 2.202 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174401939 464403367 /nfs/dbraw/zinc/40/33/67/464403367.db2.gz CAAFNSAENGHFBK-IBGZPJMESA-N 2 2 342.487 2.202 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247343034 464669080 /nfs/dbraw/zinc/66/90/80/464669080.db2.gz GSYCFOKTUMYPRZ-ZACQAIPSSA-N 2 2 343.475 2.497 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247343034 464669085 /nfs/dbraw/zinc/66/90/85/464669085.db2.gz GSYCFOKTUMYPRZ-ZACQAIPSSA-N 2 2 343.475 2.497 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000365619877 466884631 /nfs/dbraw/zinc/88/46/31/466884631.db2.gz CDAGSKXOZQSAHA-CQSZACIVSA-N 2 2 341.415 2.320 20 30 EEEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000365619877 466884635 /nfs/dbraw/zinc/88/46/35/466884635.db2.gz CDAGSKXOZQSAHA-CQSZACIVSA-N 2 2 341.415 2.320 20 30 EEEDLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424148979 466990556 /nfs/dbraw/zinc/99/05/56/466990556.db2.gz VNAQPUBYWRIKRE-KRWDZBQOSA-N 2 2 343.475 2.168 20 30 EEEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(C#N)CCCCC3)c2)CC1 ZINC000601808138 469035056 /nfs/dbraw/zinc/03/50/56/469035056.db2.gz UZEYBRSBFCVLCN-UHFFFAOYSA-N 2 2 327.432 2.246 20 30 EEEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000586783709 469067483 /nfs/dbraw/zinc/06/74/83/469067483.db2.gz XEZAJYMREDUSRX-UHFFFAOYSA-N 2 2 345.487 2.426 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000730098030 576714222 /nfs/dbraw/zinc/71/42/22/576714222.db2.gz SFEWCBQNVMKJRI-SFHVURJKSA-N 2 2 340.471 2.032 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000730098030 576714225 /nfs/dbraw/zinc/71/42/25/576714225.db2.gz SFEWCBQNVMKJRI-SFHVURJKSA-N 2 2 340.471 2.032 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000730280708 577015689 /nfs/dbraw/zinc/01/56/89/577015689.db2.gz YXJKXRXZKVKOQH-SFHVURJKSA-N 2 2 340.402 2.034 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000730280708 577015692 /nfs/dbraw/zinc/01/56/92/577015692.db2.gz YXJKXRXZKVKOQH-SFHVURJKSA-N 2 2 340.402 2.034 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000747838856 577951163 /nfs/dbraw/zinc/95/11/63/577951163.db2.gz OUYOONMUAISCDR-UHFFFAOYSA-N 2 2 328.372 2.494 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635588 676290502 /nfs/dbraw/zinc/29/05/02/676290502.db2.gz KWMKKOFKRWIDIP-CVEARBPZSA-N 2 2 336.867 2.257 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711867 676370018 /nfs/dbraw/zinc/37/00/18/676370018.db2.gz FCOPSOWXPNDROY-GDBMZVCRSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711867 676370019 /nfs/dbraw/zinc/37/00/19/676370019.db2.gz FCOPSOWXPNDROY-GDBMZVCRSA-N 2 2 336.867 2.028 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858425 679825246 /nfs/dbraw/zinc/82/52/46/679825246.db2.gz YBLAISYLGDOTIN-JKSUJKDBSA-N 2 2 346.500 2.041 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858425 679825247 /nfs/dbraw/zinc/82/52/47/679825247.db2.gz YBLAISYLGDOTIN-JKSUJKDBSA-N 2 2 346.500 2.041 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858425 679825248 /nfs/dbraw/zinc/82/52/48/679825248.db2.gz YBLAISYLGDOTIN-JKSUJKDBSA-N 2 2 346.500 2.041 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000972858425 679825250 /nfs/dbraw/zinc/82/52/50/679825250.db2.gz YBLAISYLGDOTIN-JKSUJKDBSA-N 2 2 346.500 2.041 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451983 679319447 /nfs/dbraw/zinc/31/94/47/679319447.db2.gz PYAXMTDSTOCISE-DLBZAZTESA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451983 679319449 /nfs/dbraw/zinc/31/94/49/679319449.db2.gz PYAXMTDSTOCISE-DLBZAZTESA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015375036 683524928 /nfs/dbraw/zinc/52/49/28/683524928.db2.gz AXCHOCYMKMFAQJ-INIZCTEOSA-N 2 2 335.879 2.347 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015375036 683524932 /nfs/dbraw/zinc/52/49/32/683524932.db2.gz AXCHOCYMKMFAQJ-INIZCTEOSA-N 2 2 335.879 2.347 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001026517453 684712750 /nfs/dbraw/zinc/71/27/50/684712750.db2.gz IIFWOYMXTITBPN-NFOMZHRRSA-N 2 2 336.867 2.215 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001027600782 693418744 /nfs/dbraw/zinc/41/87/44/693418744.db2.gz MBYUUYUGEXNOSE-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001027600782 693418748 /nfs/dbraw/zinc/41/87/48/693418748.db2.gz MBYUUYUGEXNOSE-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943253409 1192141782 /nfs/dbraw/zinc/14/17/82/1192141782.db2.gz IAAIVESMPQIHRM-QZTJIDSGSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943253409 1192141784 /nfs/dbraw/zinc/14/17/84/1192141784.db2.gz IAAIVESMPQIHRM-QZTJIDSGSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089880047 1192633464 /nfs/dbraw/zinc/63/34/64/1192633464.db2.gz 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C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001208737972 1324644940 /nfs/dbraw/zinc/64/49/40/1324644940.db2.gz FOIHQSZHZNETAA-MOPGFXCFSA-N 2 2 349.519 2.034 20 30 EEEDLP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001322206093 1333228150 /nfs/dbraw/zinc/22/81/50/1333228150.db2.gz ODKKUGXRSAGBLI-HNNXBMFYSA-N 2 2 347.422 2.456 20 30 EEEDLP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001322206093 1333228156 /nfs/dbraw/zinc/22/81/56/1333228156.db2.gz ODKKUGXRSAGBLI-HNNXBMFYSA-N 2 2 347.422 2.456 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071920923 1370579418 /nfs/dbraw/zinc/57/94/18/1370579418.db2.gz ZBSSQKNCJGRJRS-CVEARBPZSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071920923 1370579421 /nfs/dbraw/zinc/57/94/21/1370579421.db2.gz ZBSSQKNCJGRJRS-CVEARBPZSA-N 2 2 327.900 2.440 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001379068603 1380451633 /nfs/dbraw/zinc/45/16/33/1380451633.db2.gz YAGFMSJECDALAQ-SFHVURJKSA-N 2 2 348.466 2.174 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001379068603 1380451634 /nfs/dbraw/zinc/45/16/34/1380451634.db2.gz YAGFMSJECDALAQ-SFHVURJKSA-N 2 2 348.466 2.174 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001752514801 1406315327 /nfs/dbraw/zinc/31/53/27/1406315327.db2.gz TYMXFBMUIPWACV-DLBZAZTESA-N 2 2 330.476 2.192 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001752514801 1406315338 /nfs/dbraw/zinc/31/53/38/1406315338.db2.gz TYMXFBMUIPWACV-DLBZAZTESA-N 2 2 330.476 2.192 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001755205203 1407219625 /nfs/dbraw/zinc/21/96/25/1407219625.db2.gz QJTSNLAFCPBFEC-RBUKOAKNSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001755205203 1407219632 /nfs/dbraw/zinc/21/96/32/1407219632.db2.gz QJTSNLAFCPBFEC-RBUKOAKNSA-N 2 2 342.487 2.247 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367038 759822557 /nfs/dbraw/zinc/82/25/57/759822557.db2.gz DXSKNWRXJWGJDF-FGTMMUONSA-N 2 2 344.503 2.486 20 30 EEEDLP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001098592011 761658961 /nfs/dbraw/zinc/65/89/61/761658961.db2.gz GOHHEVRYOSRJIO-INIZCTEOSA-N 2 2 346.475 2.000 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979972186 773644778 /nfs/dbraw/zinc/64/47/78/773644778.db2.gz AGGVRSMCRGHUIM-XIRDDKMYSA-N 2 2 336.439 2.417 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979972186 773644782 /nfs/dbraw/zinc/64/47/82/773644782.db2.gz AGGVRSMCRGHUIM-XIRDDKMYSA-N 2 2 336.439 2.417 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660530 774043543 /nfs/dbraw/zinc/04/35/43/774043543.db2.gz KRMCIHYUVNQRGN-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660530 774043550 /nfs/dbraw/zinc/04/35/50/774043550.db2.gz KRMCIHYUVNQRGN-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660550 774044621 /nfs/dbraw/zinc/04/46/21/774044621.db2.gz LCXIQUSNSCGPSV-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660550 774044626 /nfs/dbraw/zinc/04/46/26/774044626.db2.gz LCXIQUSNSCGPSV-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103593 776541980 /nfs/dbraw/zinc/54/19/80/776541980.db2.gz VXERJMGXMJDFIC-HZPDHXFCSA-N 2 2 330.476 2.355 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997642024 790511568 /nfs/dbraw/zinc/51/15/68/790511568.db2.gz LQPMYEFDGXCOMA-RDJZCZTQSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235402 779487956 /nfs/dbraw/zinc/48/79/56/779487956.db2.gz WVDVAVODLIWNDX-INIZCTEOSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235402 779487961 /nfs/dbraw/zinc/48/79/61/779487961.db2.gz WVDVAVODLIWNDX-INIZCTEOSA-N 2 2 327.900 2.440 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135579103 784031949 /nfs/dbraw/zinc/03/19/49/784031949.db2.gz ISEOLLRAFJYOGD-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223201 784103563 /nfs/dbraw/zinc/10/35/63/784103563.db2.gz NWJNOTAMWZVFGQ-MRXNPFEDSA-N 2 2 340.471 2.167 20 30 EEEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223201 784103565 /nfs/dbraw/zinc/10/35/65/784103565.db2.gz NWJNOTAMWZVFGQ-MRXNPFEDSA-N 2 2 340.471 2.167 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135773940 784400747 /nfs/dbraw/zinc/40/07/47/784400747.db2.gz CSBWKDFLWGAOGY-OLZOCXBDSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC001035713837 785000584 /nfs/dbraw/zinc/00/05/84/785000584.db2.gz WZZBRONUAQAUDY-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035783021 785119053 /nfs/dbraw/zinc/11/90/53/785119053.db2.gz ZAAKWLAJVYHSMR-UHFFFAOYSA-N 2 2 325.884 2.005 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473085 787340346 /nfs/dbraw/zinc/34/03/46/787340346.db2.gz ZOQQDPVBZOHRGC-NVXWUHKLSA-N 2 2 336.867 2.305 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997188616 789387990 /nfs/dbraw/zinc/38/79/90/789387990.db2.gz SXFPCTSXOOYIBK-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000923389342 789485350 /nfs/dbraw/zinc/48/53/50/789485350.db2.gz PATRWRHCOXIAAN-NJAFHUGGSA-N 2 2 348.487 2.223 20 30 EEEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000923389342 789485356 /nfs/dbraw/zinc/48/53/56/789485356.db2.gz PATRWRHCOXIAAN-NJAFHUGGSA-N 2 2 348.487 2.223 20 30 EEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001171183289 789792355 /nfs/dbraw/zinc/79/23/55/789792355.db2.gz CJUIOUNWZVNVIM-XOKHGSTOSA-N 2 2 344.459 2.025 20 30 EEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001171192546 789859824 /nfs/dbraw/zinc/85/98/24/789859824.db2.gz OGPBHZOFCKFLNO-CZAAIQMYSA-N 2 2 334.467 2.291 20 30 EEEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997377085 789871425 /nfs/dbraw/zinc/87/14/25/789871425.db2.gz SQUDXJBRIACJCF-MRXNPFEDSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088976458 791793494 /nfs/dbraw/zinc/79/34/94/791793494.db2.gz YXWPHYNHXZKMMN-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088976458 791793497 /nfs/dbraw/zinc/79/34/97/791793497.db2.gz YXWPHYNHXZKMMN-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086952337 793086035 /nfs/dbraw/zinc/08/60/35/793086035.db2.gz GCQGLZSJXVBREC-INIZCTEOSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748629 794763327 /nfs/dbraw/zinc/76/33/27/794763327.db2.gz IZUPQFCSQQKCTC-IRXDYDNUSA-N 2 2 330.476 2.426 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748629 794763329 /nfs/dbraw/zinc/76/33/29/794763329.db2.gz IZUPQFCSQQKCTC-IRXDYDNUSA-N 2 2 330.476 2.426 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212426089 795268423 /nfs/dbraw/zinc/26/84/23/795268423.db2.gz OYJIWKNCYBQKPE-JOCBIADPSA-N 2 2 348.491 2.299 20 30 EEEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212426089 795268428 /nfs/dbraw/zinc/26/84/28/795268428.db2.gz OYJIWKNCYBQKPE-JOCBIADPSA-N 2 2 348.491 2.299 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212426089 795268432 /nfs/dbraw/zinc/26/84/32/795268432.db2.gz OYJIWKNCYBQKPE-JOCBIADPSA-N 2 2 348.491 2.299 20 30 EEEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212426089 795268439 /nfs/dbraw/zinc/26/84/39/795268439.db2.gz OYJIWKNCYBQKPE-JOCBIADPSA-N 2 2 348.491 2.299 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081154068 796665802 /nfs/dbraw/zinc/66/58/02/796665802.db2.gz UECXBQCVXOXYNP-RBUKOAKNSA-N 2 2 338.455 2.434 20 30 EEEDLP COCCC[NH+]1CCC([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001172254211 796945812 /nfs/dbraw/zinc/94/58/12/796945812.db2.gz IPQZCCGFDXQDTC-UHFFFAOYSA-N 2 2 342.487 2.181 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001113037901 807913947 /nfs/dbraw/zinc/91/39/47/807913947.db2.gz VHTZCXXGNMRNRV-HOCLYGCPSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001113037901 807913958 /nfs/dbraw/zinc/91/39/58/807913958.db2.gz VHTZCXXGNMRNRV-HOCLYGCPSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC001131665067 813091975 /nfs/dbraw/zinc/09/19/75/813091975.db2.gz DDXJNSXJKLXAKN-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC001131665067 813091980 /nfs/dbraw/zinc/09/19/80/813091980.db2.gz DDXJNSXJKLXAKN-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001131665067 813091990 /nfs/dbraw/zinc/09/19/90/813091990.db2.gz DDXJNSXJKLXAKN-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001131665067 813092001 /nfs/dbraw/zinc/09/20/01/813092001.db2.gz DDXJNSXJKLXAKN-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000329324314 539771872 /nfs/dbraw/zinc/77/18/72/539771872.db2.gz VMKADTQFQFBWLA-CYBMUJFWSA-N 2 2 331.464 2.052 20 30 EEEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC1CCCCC1 ZINC000104164613 237083416 /nfs/dbraw/zinc/08/34/16/237083416.db2.gz FBKVUAIWWXRCEP-UHFFFAOYSA-N 2 2 330.476 2.256 20 30 EEEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000491726874 246127470 /nfs/dbraw/zinc/12/74/70/246127470.db2.gz KFBNBFLEICVOII-UHFFFAOYSA-N 2 2 339.483 2.173 20 30 EEEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000491726874 246127480 /nfs/dbraw/zinc/12/74/80/246127480.db2.gz KFBNBFLEICVOII-UHFFFAOYSA-N 2 2 339.483 2.173 20 30 EEEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068310418 159018961 /nfs/dbraw/zinc/01/89/61/159018961.db2.gz OPAHELWOPQDATD-UHFFFAOYSA-N 2 2 347.422 2.410 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000369265918 166223774 /nfs/dbraw/zinc/22/37/74/166223774.db2.gz JHJPREDTVDRQNP-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000369265918 166223777 /nfs/dbraw/zinc/22/37/77/166223777.db2.gz JHJPREDTVDRQNP-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000361787587 277367343 /nfs/dbraw/zinc/36/73/43/277367343.db2.gz IXRGBESMOLEUEX-ZHALLVOQSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000361787587 277367345 /nfs/dbraw/zinc/36/73/45/277367345.db2.gz IXRGBESMOLEUEX-ZHALLVOQSA-N 2 2 329.444 2.250 20 30 EEEDLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ncc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000567479480 319383790 /nfs/dbraw/zinc/38/37/90/319383790.db2.gz MZFVPNXQYARDJU-HZPDHXFCSA-N 2 2 343.475 2.060 20 30 EEEDLP O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329015760 465204620 /nfs/dbraw/zinc/20/46/20/465204620.db2.gz QFRMRKCZQGCIQQ-UHFFFAOYSA-N 2 2 331.464 2.172 20 30 EEEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329212658 465269906 /nfs/dbraw/zinc/26/99/06/465269906.db2.gz IBVUOODEGWZEFS-ZBFHGGJFSA-N 2 2 335.496 2.490 20 30 EEEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329212658 465269910 /nfs/dbraw/zinc/26/99/10/465269910.db2.gz IBVUOODEGWZEFS-ZBFHGGJFSA-N 2 2 335.496 2.490 20 30 EEEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329488247 465350553 /nfs/dbraw/zinc/35/05/53/465350553.db2.gz YBNFGMIPVDPHQD-CRAIPNDOSA-N 2 2 339.443 2.455 20 30 EEEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329488247 465350554 /nfs/dbraw/zinc/35/05/54/465350554.db2.gz YBNFGMIPVDPHQD-CRAIPNDOSA-N 2 2 339.443 2.455 20 30 EEEDLP COCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000552311958 468322912 /nfs/dbraw/zinc/32/29/12/468322912.db2.gz JVIODESXIQAYFF-UHFFFAOYSA-N 2 2 343.471 2.308 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000159614576 463295461 /nfs/dbraw/zinc/29/54/61/463295461.db2.gz BLORZYYNSAKEAX-DLBZAZTESA-N 2 2 330.476 2.260 20 30 EEEDLP C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000143094192 463365967 /nfs/dbraw/zinc/36/59/67/463365967.db2.gz WPRQEPJXNUIYBP-IRXDYDNUSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000143094192 463365970 /nfs/dbraw/zinc/36/59/70/463365970.db2.gz WPRQEPJXNUIYBP-IRXDYDNUSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000104679189 463419062 /nfs/dbraw/zinc/41/90/62/463419062.db2.gz HUWKWDXUPAIJBE-UHFFFAOYSA-N 2 2 343.446 2.004 20 30 EEEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cn1 ZINC000579489236 468367262 /nfs/dbraw/zinc/36/72/62/468367262.db2.gz MZYGVPUCZUXNKQ-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cn1 ZINC000579489236 468367268 /nfs/dbraw/zinc/36/72/68/468367268.db2.gz MZYGVPUCZUXNKQ-UHFFFAOYSA-N 2 2 349.482 2.203 20 30 EEEDLP C=CC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000171953860 463955950 /nfs/dbraw/zinc/95/59/50/463955950.db2.gz PXQYYKBEXFKOFR-MRXNPFEDSA-N 2 2 328.460 2.017 20 30 EEEDLP C=CCCCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237042912 464256302 /nfs/dbraw/zinc/25/63/02/464256302.db2.gz UWVMDYNFEMRYCZ-SFHVURJKSA-N 2 2 326.444 2.226 20 30 EEEDLP COc1ccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)cc1OC ZINC000264152123 464288723 /nfs/dbraw/zinc/28/87/23/464288723.db2.gz ZNPBERZHSABSMK-OAHLLOKOSA-N 2 2 336.480 2.257 20 30 EEEDLP C[S@](=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000281213150 464373669 /nfs/dbraw/zinc/37/36/69/464373669.db2.gz YZYLCWUOLFXTMP-DEOSSOPVSA-N 2 2 345.512 2.413 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292964934 464379781 /nfs/dbraw/zinc/37/97/81/464379781.db2.gz LSJXFLHLXXLVBA-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292964934 464379788 /nfs/dbraw/zinc/37/97/88/464379788.db2.gz LSJXFLHLXXLVBA-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292964934 464379794 /nfs/dbraw/zinc/37/97/94/464379794.db2.gz LSJXFLHLXXLVBA-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292964934 464379799 /nfs/dbraw/zinc/37/97/99/464379799.db2.gz LSJXFLHLXXLVBA-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1C#N ZINC000177305795 464981396 /nfs/dbraw/zinc/98/13/96/464981396.db2.gz XKVUILBHLIOMQR-SJORKVTESA-N 2 2 326.444 2.445 20 30 EEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1C#N ZINC000177305795 464981400 /nfs/dbraw/zinc/98/14/00/464981400.db2.gz XKVUILBHLIOMQR-SJORKVTESA-N 2 2 326.444 2.445 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1C#N ZINC000177305795 464981403 /nfs/dbraw/zinc/98/14/03/464981403.db2.gz XKVUILBHLIOMQR-SJORKVTESA-N 2 2 326.444 2.445 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000177305795 464981404 /nfs/dbraw/zinc/98/14/04/464981404.db2.gz XKVUILBHLIOMQR-SJORKVTESA-N 2 2 326.444 2.445 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361046751 465728540 /nfs/dbraw/zinc/72/85/40/465728540.db2.gz RNNHFOFWQBSJAS-UHFFFAOYSA-N 2 2 331.464 2.137 20 30 EEEDLP Cc1cn2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2[nH+]1 ZINC000597126817 468452362 /nfs/dbraw/zinc/45/23/62/468452362.db2.gz JCSKPOHVYSTUAE-UHFFFAOYSA-N 2 2 328.420 2.342 20 30 EEEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)[nH+]1 ZINC000362635613 465900264 /nfs/dbraw/zinc/90/02/64/465900264.db2.gz CGNJTGBQGVKECG-INIZCTEOSA-N 2 2 329.448 2.029 20 30 EEEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)[nH+]1 ZINC000362635613 465900268 /nfs/dbraw/zinc/90/02/68/465900268.db2.gz CGNJTGBQGVKECG-INIZCTEOSA-N 2 2 329.448 2.029 20 30 EEEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)(C)C[NH+](C)C ZINC000331262803 466002864 /nfs/dbraw/zinc/00/28/64/466002864.db2.gz DSTQKQFHPOMTMF-HNNXBMFYSA-N 2 2 336.480 2.288 20 30 EEEDLP Cn1c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2[nH+]c1C1CC1 ZINC000581484663 468494476 /nfs/dbraw/zinc/49/44/76/468494476.db2.gz XEVGBYZMQVVNOL-HNNXBMFYSA-N 2 2 327.432 2.069 20 30 EEEDLP Cn1c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2[nH+]c1C1CC1 ZINC000581484663 468494478 /nfs/dbraw/zinc/49/44/78/468494478.db2.gz XEVGBYZMQVVNOL-HNNXBMFYSA-N 2 2 327.432 2.069 20 30 EEEDLP N#CCCCOc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000369037596 466711972 /nfs/dbraw/zinc/71/19/72/466711972.db2.gz ZASWGOXVOPHLBD-HKUYNNGSSA-N 2 2 329.444 2.322 20 30 EEEDLP Cc1cc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425226707 467089167 /nfs/dbraw/zinc/08/91/67/467089167.db2.gz ICYDTNHHJNZUSR-QGZVFWFLSA-N 2 2 335.455 2.306 20 30 EEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420332176 467361057 /nfs/dbraw/zinc/36/10/57/467361057.db2.gz RLJWYFDOAVMSEH-KRWDZBQOSA-N 2 2 345.487 2.161 20 30 EEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420332176 467361060 /nfs/dbraw/zinc/36/10/60/467361060.db2.gz RLJWYFDOAVMSEH-KRWDZBQOSA-N 2 2 345.487 2.161 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507199 468880619 /nfs/dbraw/zinc/88/06/19/468880619.db2.gz KYXPNLFKKGWSLB-AEFFLSMTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507199 468880622 /nfs/dbraw/zinc/88/06/22/468880622.db2.gz KYXPNLFKKGWSLB-AEFFLSMTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507199 468880624 /nfs/dbraw/zinc/88/06/24/468880624.db2.gz KYXPNLFKKGWSLB-AEFFLSMTSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507199 468880627 /nfs/dbraw/zinc/88/06/27/468880627.db2.gz KYXPNLFKKGWSLB-AEFFLSMTSA-N 2 2 332.492 2.135 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603910537 469445233 /nfs/dbraw/zinc/44/52/33/469445233.db2.gz SYGLQKYZGXRPBU-RCCFBDPRSA-N 2 2 340.471 2.090 20 30 EEEDLP C=CCCn1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)nn1 ZINC000657390869 471123410 /nfs/dbraw/zinc/12/34/10/471123410.db2.gz JSSBVIWGHFQRBV-UHFFFAOYSA-N 2 2 347.507 2.227 20 30 EEEDLP C=CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000748970578 577969715 /nfs/dbraw/zinc/96/97/15/577969715.db2.gz HRGOQMUVHABEEW-SFHVURJKSA-N 2 2 345.491 2.024 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021610625 676264414 /nfs/dbraw/zinc/26/44/14/676264414.db2.gz JWGJOBHCXIIBEO-DOTOQJQBSA-N 2 2 329.444 2.132 20 30 EEEDLP 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2 348.491 2.152 20 30 EEEDLP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049504 1257940478 /nfs/dbraw/zinc/94/04/78/1257940478.db2.gz UXQSILGNALJSQB-INIZCTEOSA-N 2 2 348.491 2.152 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001192631440 1282091471 /nfs/dbraw/zinc/09/14/71/1282091471.db2.gz DATACVDGTPWUBV-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001192631440 1282091480 /nfs/dbraw/zinc/09/14/80/1282091480.db2.gz DATACVDGTPWUBV-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP CC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001197708194 1284767133 /nfs/dbraw/zinc/76/71/33/1284767133.db2.gz ZSCAPVCCVUHJGP-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001197708194 1284767138 /nfs/dbraw/zinc/76/71/38/1284767138.db2.gz ZSCAPVCCVUHJGP-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197708194 1284767144 /nfs/dbraw/zinc/76/71/44/1284767144.db2.gz ZSCAPVCCVUHJGP-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001197708194 1284767149 /nfs/dbraw/zinc/76/71/49/1284767149.db2.gz ZSCAPVCCVUHJGP-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197810433 1284824240 /nfs/dbraw/zinc/82/42/40/1284824240.db2.gz VYKCELRMKXPUDC-LJQANCHMSA-N 2 2 327.472 2.237 20 30 EEEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197810433 1284824243 /nfs/dbraw/zinc/82/42/43/1284824243.db2.gz VYKCELRMKXPUDC-LJQANCHMSA-N 2 2 327.472 2.237 20 30 EEEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810433 1284824246 /nfs/dbraw/zinc/82/42/46/1284824246.db2.gz VYKCELRMKXPUDC-LJQANCHMSA-N 2 2 327.472 2.237 20 30 EEEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810433 1284824249 /nfs/dbraw/zinc/82/42/49/1284824249.db2.gz VYKCELRMKXPUDC-LJQANCHMSA-N 2 2 327.472 2.237 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556925 1299221906 /nfs/dbraw/zinc/22/19/06/1299221906.db2.gz TXPYPFZGNHEDMA-FJIDUMEYSA-N 2 2 328.460 2.018 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556925 1299221917 /nfs/dbraw/zinc/22/19/17/1299221917.db2.gz TXPYPFZGNHEDMA-FJIDUMEYSA-N 2 2 328.460 2.018 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602847 1301277514 /nfs/dbraw/zinc/27/75/14/1301277514.db2.gz GXAKATIPBUORKQ-BHIYHBOVSA-N 2 2 344.503 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602847 1301277518 /nfs/dbraw/zinc/27/75/18/1301277518.db2.gz GXAKATIPBUORKQ-BHIYHBOVSA-N 2 2 344.503 2.335 20 30 EEEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001246002024 1310206588 /nfs/dbraw/zinc/20/65/88/1310206588.db2.gz KZXLZVZUTIOVLZ-SJORKVTESA-N 2 2 328.497 2.229 20 30 EEEDLP C=CCC[C@H]([NH3+])c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247622104 1310651580 /nfs/dbraw/zinc/65/15/80/1310651580.db2.gz FYEFOEHHJMVLLL-KRWDZBQOSA-N 2 2 341.459 2.450 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000829582873 1314503372 /nfs/dbraw/zinc/50/33/72/1314503372.db2.gz SFCSURBDEUDIFO-MRXNPFEDSA-N 2 2 329.444 2.093 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000829582873 1314503377 /nfs/dbraw/zinc/50/33/77/1314503377.db2.gz SFCSURBDEUDIFO-MRXNPFEDSA-N 2 2 329.444 2.093 20 30 EEEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)nc1)C2 ZINC001140542534 1314902453 /nfs/dbraw/zinc/90/24/53/1314902453.db2.gz ASUKKBKCIZZVKX-QUCCMNQESA-N 2 2 340.471 2.134 20 30 EEEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)nc1)C2 ZINC001140542534 1314902455 /nfs/dbraw/zinc/90/24/55/1314902455.db2.gz ASUKKBKCIZZVKX-QUCCMNQESA-N 2 2 340.471 2.134 20 30 EEEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)nc1)C2 ZINC001140542534 1314902458 /nfs/dbraw/zinc/90/24/58/1314902458.db2.gz ASUKKBKCIZZVKX-QUCCMNQESA-N 2 2 340.471 2.134 20 30 EEEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)nc1)C2 ZINC001140542534 1314902459 /nfs/dbraw/zinc/90/24/59/1314902459.db2.gz ASUKKBKCIZZVKX-QUCCMNQESA-N 2 2 340.471 2.134 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203201683 1316503021 /nfs/dbraw/zinc/50/30/21/1316503021.db2.gz IYRYFQFSDVXLJX-CVEARBPZSA-N 2 2 330.476 2.336 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033847 1316940955 /nfs/dbraw/zinc/94/09/55/1316940955.db2.gz OQGRLAYCKPTXOD-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033847 1316940957 /nfs/dbraw/zinc/94/09/57/1316940957.db2.gz OQGRLAYCKPTXOD-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033847 1316940960 /nfs/dbraw/zinc/94/09/60/1316940960.db2.gz OQGRLAYCKPTXOD-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033847 1316940962 /nfs/dbraw/zinc/94/09/62/1316940962.db2.gz OQGRLAYCKPTXOD-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001252472878 1317612096 /nfs/dbraw/zinc/61/20/96/1317612096.db2.gz BSWHMSONMASBRS-GOSISDBHSA-N 2 2 336.451 2.285 20 30 EEEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001252472878 1317612104 /nfs/dbraw/zinc/61/21/04/1317612104.db2.gz BSWHMSONMASBRS-GOSISDBHSA-N 2 2 336.451 2.285 20 30 EEEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001162946222 1320993200 /nfs/dbraw/zinc/99/32/00/1320993200.db2.gz CDLRYLNGUOJHPX-UHFFFAOYSA-N 2 2 326.444 2.189 20 30 EEEDLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001163594236 1321165529 /nfs/dbraw/zinc/16/55/29/1321165529.db2.gz SKTDKCMZRQYSRF-UHFFFAOYSA-N 2 2 344.846 2.074 20 30 EEEDLP C#CCC[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001166423286 1321716642 /nfs/dbraw/zinc/71/66/42/1321716642.db2.gz XEJLJQZUJXCSSC-UHFFFAOYSA-N 2 2 336.439 2.385 20 30 EEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556033 1323192125 /nfs/dbraw/zinc/19/21/25/1323192125.db2.gz IQNRUKUIKFUHDV-OAHLLOKOSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001375130445 1377399796 /nfs/dbraw/zinc/39/97/96/1377399796.db2.gz BQWXYOIAIQJOIO-ZDUSSCGKSA-N 2 2 333.823 2.070 20 30 EEEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001375130445 1377399806 /nfs/dbraw/zinc/39/98/06/1377399806.db2.gz BQWXYOIAIQJOIO-ZDUSSCGKSA-N 2 2 333.823 2.070 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001752820965 1406443926 /nfs/dbraw/zinc/44/39/26/1406443926.db2.gz IQLVMVNZNDDKAY-ZWKOTPCHSA-N 2 2 330.476 2.464 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001752820965 1406443927 /nfs/dbraw/zinc/44/39/27/1406443927.db2.gz IQLVMVNZNDDKAY-ZWKOTPCHSA-N 2 2 330.476 2.464 20 30 EEEDLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001402142861 1397792328 /nfs/dbraw/zinc/79/23/28/1397792328.db2.gz XFEKTBAGGOBDJH-HKUYNNGSSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001402142861 1397792330 /nfs/dbraw/zinc/79/23/30/1397792330.db2.gz XFEKTBAGGOBDJH-HKUYNNGSSA-N 2 2 346.450 2.118 20 30 EEEDLP C[C@H](CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1)n1cc[nH+]c1 ZINC001423274201 1400501117 /nfs/dbraw/zinc/50/11/17/1400501117.db2.gz QZHOGIDLYYECDG-OAHLLOKOSA-N 2 2 337.427 2.144 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001755711098 1407765286 /nfs/dbraw/zinc/76/52/86/1407765286.db2.gz CWGYGXXVYGUCIJ-RYQLBKOJSA-N 2 2 330.476 2.146 20 30 EEEDLP C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC001167424898 758348255 /nfs/dbraw/zinc/34/82/55/758348255.db2.gz JRWOSRSRUBYRDD-AWEZNQCLSA-N 2 2 343.406 2.141 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363064 759779171 /nfs/dbraw/zinc/77/91/71/759779171.db2.gz XOMNPWBMDOVXIG-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104367571 759826594 /nfs/dbraw/zinc/82/65/94/759826594.db2.gz ZARPKNDFHZCFPM-KURKYZTESA-N 2 2 344.503 2.486 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784477 765628708 /nfs/dbraw/zinc/62/87/08/765628708.db2.gz LQNXVRGBRKTRDL-SCTDSRPQSA-N 2 2 328.460 2.074 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784477 765628710 /nfs/dbraw/zinc/62/87/10/765628710.db2.gz LQNXVRGBRKTRDL-SCTDSRPQSA-N 2 2 328.460 2.074 20 30 EEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001105053838 768963575 /nfs/dbraw/zinc/96/35/75/768963575.db2.gz CAJWFDUVIIQXPC-HZPDHXFCSA-N 2 2 347.528 2.366 20 30 EEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001105053838 768963578 /nfs/dbraw/zinc/96/35/78/768963578.db2.gz CAJWFDUVIIQXPC-HZPDHXFCSA-N 2 2 347.528 2.366 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652939 773856228 /nfs/dbraw/zinc/85/62/28/773856228.db2.gz LZRRRHMKJLIFHS-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652939 773856231 /nfs/dbraw/zinc/85/62/31/773856231.db2.gz LZRRRHMKJLIFHS-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652939 773856234 /nfs/dbraw/zinc/85/62/34/773856234.db2.gz LZRRRHMKJLIFHS-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652939 773856237 /nfs/dbraw/zinc/85/62/37/773856237.db2.gz LZRRRHMKJLIFHS-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089801856 775828106 /nfs/dbraw/zinc/82/81/06/775828106.db2.gz BFLMOYCTCOXPSM-HZMVEIRTSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089801856 775828115 /nfs/dbraw/zinc/82/81/15/775828115.db2.gz BFLMOYCTCOXPSM-HZMVEIRTSA-N 2 2 328.460 2.087 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981354680 777240957 /nfs/dbraw/zinc/24/09/57/777240957.db2.gz RUDKMGGUSLQOAQ-SJORKVTESA-N 2 2 337.427 2.041 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000981408117 777334800 /nfs/dbraw/zinc/33/48/00/777334800.db2.gz AKBPMVWLTHKOCE-IAGOWNOFSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292768 779578634 /nfs/dbraw/zinc/57/86/34/779578634.db2.gz XFPFOUOJGWFBAY-KDURUIRLSA-N 2 2 330.476 2.479 20 30 EEEDLP 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CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049546362 1241346050 /nfs/dbraw/zinc/34/60/50/1241346050.db2.gz PURGZKUZWMMBLZ-SJORKVTESA-N 2 2 328.460 2.015 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049546362 1241346062 /nfs/dbraw/zinc/34/60/62/1241346062.db2.gz PURGZKUZWMMBLZ-SJORKVTESA-N 2 2 328.460 2.015 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837441 1245360388 /nfs/dbraw/zinc/36/03/88/1245360388.db2.gz XRWCTRNLHGYJLM-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837441 1245360391 /nfs/dbraw/zinc/36/03/91/1245360391.db2.gz XRWCTRNLHGYJLM-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001051253277 1245443346 /nfs/dbraw/zinc/44/33/46/1245443346.db2.gz LRKMPXSJFAMCLJ-LJQANCHMSA-N 2 2 345.487 2.145 20 30 EEEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001051253277 1245443350 /nfs/dbraw/zinc/44/33/50/1245443350.db2.gz LRKMPXSJFAMCLJ-LJQANCHMSA-N 2 2 345.487 2.145 20 30 EEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001101551483 1245957265 /nfs/dbraw/zinc/95/72/65/1245957265.db2.gz NJLXISAJHPFAAM-INIZCTEOSA-N 2 2 344.503 2.486 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001101573845 1245977890 /nfs/dbraw/zinc/97/78/90/1245977890.db2.gz GJMFTRINYSXJFZ-INIZCTEOSA-N 2 2 342.487 2.317 20 30 EEEDLP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581356 1245988622 /nfs/dbraw/zinc/98/86/22/1245988622.db2.gz WHUWYPALKRVNIT-MRXNPFEDSA-N 2 2 344.503 2.466 20 30 EEEDLP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581356 1245988628 /nfs/dbraw/zinc/98/86/28/1245988628.db2.gz WHUWYPALKRVNIT-MRXNPFEDSA-N 2 2 344.503 2.466 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581069 1245989333 /nfs/dbraw/zinc/98/93/33/1245989333.db2.gz HQJXVTWHVVFIDR-HNNXBMFYSA-N 2 2 330.476 2.076 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581069 1245989342 /nfs/dbraw/zinc/98/93/42/1245989342.db2.gz HQJXVTWHVVFIDR-HNNXBMFYSA-N 2 2 330.476 2.076 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001054155598 1247550819 /nfs/dbraw/zinc/55/08/19/1247550819.db2.gz VKQMYQWTYACLSW-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001054155598 1247550828 /nfs/dbraw/zinc/55/08/28/1247550828.db2.gz VKQMYQWTYACLSW-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001098148867 1257125573 /nfs/dbraw/zinc/12/55/73/1257125573.db2.gz ZCZRHJDNEXLBPL-NUJGCVRESA-N 2 2 337.427 2.179 20 30 EEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001098148867 1257125579 /nfs/dbraw/zinc/12/55/79/1257125579.db2.gz ZCZRHJDNEXLBPL-NUJGCVRESA-N 2 2 337.427 2.179 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570066 1282566539 /nfs/dbraw/zinc/56/65/39/1282566539.db2.gz FSYMKZVZVYMHNR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570066 1282566549 /nfs/dbraw/zinc/56/65/49/1282566549.db2.gz FSYMKZVZVYMHNR-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000852098722 1291991948 /nfs/dbraw/zinc/99/19/48/1291991948.db2.gz UOTLOLXEMYORNW-FQEVSTJZSA-N 2 2 327.472 2.031 20 30 EEEDLP C#C[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000854075232 1292611006 /nfs/dbraw/zinc/61/10/06/1292611006.db2.gz ZMQDBJOFAXCXNT-BHIYHBOVSA-N 2 2 348.535 2.377 20 30 EEEDLP C#C[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000854075232 1292611017 /nfs/dbraw/zinc/61/10/17/1292611017.db2.gz ZMQDBJOFAXCXNT-BHIYHBOVSA-N 2 2 348.535 2.377 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000931344194 1297148717 /nfs/dbraw/zinc/14/87/17/1297148717.db2.gz DJWBAPXCMRZYAQ-UHFFFAOYSA-N 2 2 329.444 2.047 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099358610 1299090224 /nfs/dbraw/zinc/09/02/24/1299090224.db2.gz IZBVFVCQOZYVMH-QGZVFWFLSA-N 2 2 330.476 2.293 20 30 EEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1F ZINC001277007400 1300785065 /nfs/dbraw/zinc/78/50/65/1300785065.db2.gz OZSPZVCUZKNNQF-AYHJJNSGSA-N 2 2 330.451 2.344 20 30 EEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1F ZINC001277007400 1300785070 /nfs/dbraw/zinc/78/50/70/1300785070.db2.gz OZSPZVCUZKNNQF-AYHJJNSGSA-N 2 2 330.451 2.344 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435420 1304921507 /nfs/dbraw/zinc/92/15/07/1304921507.db2.gz HBVAQGCMOPYWOM-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435420 1304921510 /nfs/dbraw/zinc/92/15/10/1304921510.db2.gz HBVAQGCMOPYWOM-QGZVFWFLSA-N 2 2 330.476 2.261 20 30 EEEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235064694 1305102698 /nfs/dbraw/zinc/10/26/98/1305102698.db2.gz SVXDRZWKQXJJHY-OAQYLSRUSA-N 2 2 348.450 2.488 20 30 EEEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235064694 1305102701 /nfs/dbraw/zinc/10/27/01/1305102701.db2.gz SVXDRZWKQXJJHY-OAQYLSRUSA-N 2 2 348.450 2.488 20 30 EEEDLP COC(=O)[C@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1[NH3+] ZINC001246934737 1310471556 /nfs/dbraw/zinc/47/15/56/1310471556.db2.gz WDXVMERXSHGBAU-FOIPXRHGSA-N 2 2 327.428 2.017 20 30 EEEDLP COC(=O)[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1[NH3+] ZINC001246934737 1310471560 /nfs/dbraw/zinc/47/15/60/1310471560.db2.gz WDXVMERXSHGBAU-FOIPXRHGSA-N 2 2 327.428 2.017 20 30 EEEDLP CC(C)(C)OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001253476334 1317868495 /nfs/dbraw/zinc/86/84/95/1317868495.db2.gz UPYVEWHHDFUEAK-IBGZPJMESA-N 2 2 345.487 2.288 20 30 EEEDLP C=CCN1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC001256601461 1318797291 /nfs/dbraw/zinc/79/72/91/1318797291.db2.gz QDZXZOCHLSMOPN-IBGZPJMESA-N 2 2 327.472 2.418 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001158148891 1319045017 /nfs/dbraw/zinc/04/50/17/1319045017.db2.gz UKIVRBLRLWCXDV-FUHWJXTLSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001158148891 1319045024 /nfs/dbraw/zinc/04/50/24/1319045024.db2.gz UKIVRBLRLWCXDV-FUHWJXTLSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001162832442 1320970727 /nfs/dbraw/zinc/97/07/27/1320970727.db2.gz SWPDLACHBGOQCZ-QZTJIDSGSA-N 2 2 338.455 2.360 20 30 EEEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001162832442 1320970729 /nfs/dbraw/zinc/97/07/29/1320970729.db2.gz SWPDLACHBGOQCZ-QZTJIDSGSA-N 2 2 338.455 2.360 20 30 EEEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165859354 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C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001032827135 798467463 /nfs/dbraw/zinc/46/74/63/798467463.db2.gz IEARUIVFALZPPT-HBFSDRIKSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001032827135 798467464 /nfs/dbraw/zinc/46/74/64/798467464.db2.gz IEARUIVFALZPPT-HBFSDRIKSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001032827135 798467465 /nfs/dbraw/zinc/46/74/65/798467465.db2.gz IEARUIVFALZPPT-HBFSDRIKSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]cn1C ZINC001177468898 798955192 /nfs/dbraw/zinc/95/51/92/798955192.db2.gz NMIQKMYISRAKKS-UHFFFAOYSA-N 2 2 344.503 2.375 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374705 800423774 /nfs/dbraw/zinc/42/37/74/800423774.db2.gz FFSGXMOPZLSFJV-IAGOWNOFSA-N 2 2 337.427 2.041 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004458041 802122352 /nfs/dbraw/zinc/12/23/52/802122352.db2.gz NTBJBSRBMXSVAY-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004458041 802122355 /nfs/dbraw/zinc/12/23/55/802122355.db2.gz NTBJBSRBMXSVAY-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004458041 802122358 /nfs/dbraw/zinc/12/23/58/802122358.db2.gz NTBJBSRBMXSVAY-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004458041 802122360 /nfs/dbraw/zinc/12/23/60/802122360.db2.gz NTBJBSRBMXSVAY-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645806 802558565 /nfs/dbraw/zinc/55/85/65/802558565.db2.gz YPPMHPRCTBAPKW-FGTMMUONSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645806 802558571 /nfs/dbraw/zinc/55/85/71/802558571.db2.gz YPPMHPRCTBAPKW-FGTMMUONSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086595689 809097532 /nfs/dbraw/zinc/09/75/32/809097532.db2.gz OFFOBRMKYDOPBM-IPMKNSEASA-N 2 2 327.472 2.241 20 30 EEEDLP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086595689 809097539 /nfs/dbraw/zinc/09/75/39/809097539.db2.gz OFFOBRMKYDOPBM-IPMKNSEASA-N 2 2 327.472 2.241 20 30 EEEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595689 809097551 /nfs/dbraw/zinc/09/75/51/809097551.db2.gz OFFOBRMKYDOPBM-IPMKNSEASA-N 2 2 327.472 2.241 20 30 EEEDLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Cc1ccc(C#N)cc1 ZINC001437624829 1090136597 /nfs/dbraw/zinc/13/65/97/1090136597.db2.gz FHVGRKXWJMNIMX-HNNXBMFYSA-N 2 2 339.443 2.098 20 30 EEEDLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Cc1ccc(C#N)cc1 ZINC001437624829 1090136602 /nfs/dbraw/zinc/13/66/02/1090136602.db2.gz FHVGRKXWJMNIMX-HNNXBMFYSA-N 2 2 339.443 2.098 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000050024514 214040692 /nfs/dbraw/zinc/04/06/92/214040692.db2.gz MPXPLLHTNZDLCF-SFHVURJKSA-N 2 2 347.890 2.404 20 30 EEEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000329000012 539765311 /nfs/dbraw/zinc/76/53/11/539765311.db2.gz HIJHAFYXGOUSDM-INIZCTEOSA-N 2 2 347.459 2.075 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(CC(F)F)C3)CC2)cc1 ZINC000417399812 270019776 /nfs/dbraw/zinc/01/97/76/270019776.db2.gz ZZHBATCMOJSMDQ-SFHVURJKSA-N 2 2 348.441 2.452 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](O)C3CCCCC3)CC2)CC1 ZINC000328606566 465068134 /nfs/dbraw/zinc/06/81/34/465068134.db2.gz KMXWEECRDZHTAX-GOSISDBHSA-N 2 2 337.508 2.443 20 30 EEEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000157302506 463118097 /nfs/dbraw/zinc/11/80/97/463118097.db2.gz JKZGLDCATOGOEP-QGZVFWFLSA-N 2 2 332.492 2.279 20 30 EEEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000157302506 463118100 /nfs/dbraw/zinc/11/81/00/463118100.db2.gz JKZGLDCATOGOEP-QGZVFWFLSA-N 2 2 332.492 2.279 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158724987 463249360 /nfs/dbraw/zinc/24/93/60/463249360.db2.gz ZNXAHJTYEGEUDL-GVDBMIGSSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158724987 463249363 /nfs/dbraw/zinc/24/93/63/463249363.db2.gz ZNXAHJTYEGEUDL-GVDBMIGSSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158724987 463249369 /nfs/dbraw/zinc/24/93/69/463249369.db2.gz ZNXAHJTYEGEUDL-GVDBMIGSSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158724987 463249372 /nfs/dbraw/zinc/24/93/72/463249372.db2.gz ZNXAHJTYEGEUDL-GVDBMIGSSA-N 2 2 332.492 2.134 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000178089824 463843691 /nfs/dbraw/zinc/84/36/91/463843691.db2.gz BGYFZGVNPZPWQZ-INIZCTEOSA-N 2 2 345.491 2.035 20 30 EEEDLP C=CCNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000262396838 464017890 /nfs/dbraw/zinc/01/78/90/464017890.db2.gz TWQOPRGDTKQWQL-UHFFFAOYSA-N 2 2 336.237 2.038 20 30 EEEDLP CC(C)CNC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000263649218 464139120 /nfs/dbraw/zinc/13/91/20/464139120.db2.gz BIFFXEWABGVIGP-UHFFFAOYSA-N 2 2 346.475 2.082 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174401953 464404389 /nfs/dbraw/zinc/40/43/89/464404389.db2.gz CAAFNSAENGHFBK-LJQANCHMSA-N 2 2 342.487 2.202 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174401953 464404393 /nfs/dbraw/zinc/40/43/93/464404393.db2.gz CAAFNSAENGHFBK-LJQANCHMSA-N 2 2 342.487 2.202 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174401953 464404396 /nfs/dbraw/zinc/40/43/96/464404396.db2.gz CAAFNSAENGHFBK-LJQANCHMSA-N 2 2 342.487 2.202 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174401953 464404399 /nfs/dbraw/zinc/40/43/99/464404399.db2.gz CAAFNSAENGHFBK-LJQANCHMSA-N 2 2 342.487 2.202 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990871 464439298 /nfs/dbraw/zinc/43/92/98/464439298.db2.gz ZDWKXVDTKHYXOS-KDOFPFPSSA-N 2 2 346.450 2.291 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990871 464439304 /nfs/dbraw/zinc/43/93/04/464439304.db2.gz ZDWKXVDTKHYXOS-KDOFPFPSSA-N 2 2 346.450 2.291 20 30 EEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445683 464481990 /nfs/dbraw/zinc/48/19/90/464481990.db2.gz ZDAROFSRUNXCJU-SJORKVTESA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445683 464481997 /nfs/dbraw/zinc/48/19/97/464481997.db2.gz ZDAROFSRUNXCJU-SJORKVTESA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445683 464482005 /nfs/dbraw/zinc/48/20/05/464482005.db2.gz ZDAROFSRUNXCJU-SJORKVTESA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245445683 464482012 /nfs/dbraw/zinc/48/20/12/464482012.db2.gz ZDAROFSRUNXCJU-SJORKVTESA-N 2 2 334.508 2.381 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000265500891 464583374 /nfs/dbraw/zinc/58/33/74/464583374.db2.gz PEFGTJJBXZIMGC-KRWDZBQOSA-N 2 2 335.411 2.266 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984933 464670671 /nfs/dbraw/zinc/67/06/71/464670671.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984933 464670673 /nfs/dbraw/zinc/67/06/73/464670673.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@@H+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000294984933 464670681 /nfs/dbraw/zinc/67/06/81/464670681.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000294984933 464670684 /nfs/dbraw/zinc/67/06/84/464670684.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000294984933 464670688 /nfs/dbraw/zinc/67/06/88/464670688.db2.gz KWQDYKKLXZEWLP-RTBURBONSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984913 464670812 /nfs/dbraw/zinc/67/08/12/464670812.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000294984913 464670815 /nfs/dbraw/zinc/67/08/15/464670815.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000294984913 464670825 /nfs/dbraw/zinc/67/08/25/464670825.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000294984913 464670829 /nfs/dbraw/zinc/67/08/29/464670829.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000294984913 464670833 /nfs/dbraw/zinc/67/08/33/464670833.db2.gz KWQDYKKLXZEWLP-MOPGFXCFSA-N 2 2 349.906 2.256 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266916867 464870459 /nfs/dbraw/zinc/87/04/59/464870459.db2.gz KSIQVJLZMFOROV-HUUCEWRRSA-N 2 2 329.448 2.320 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266916867 464870465 /nfs/dbraw/zinc/87/04/65/464870465.db2.gz KSIQVJLZMFOROV-HUUCEWRRSA-N 2 2 329.448 2.320 20 30 EEEDLP Cn1c[nH+]cc1CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000267715680 464938754 /nfs/dbraw/zinc/93/87/54/464938754.db2.gz ADZXSONWLGYNPH-UHFFFAOYSA-N 2 2 327.432 2.243 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000329793596 465436934 /nfs/dbraw/zinc/43/69/34/465436934.db2.gz BFCCHXJVMNRGHL-ZIAGYGMSSA-N 2 2 333.480 2.298 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000329793596 465436941 /nfs/dbraw/zinc/43/69/41/465436941.db2.gz BFCCHXJVMNRGHL-ZIAGYGMSSA-N 2 2 333.480 2.298 20 30 EEEDLP C#CC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000360054248 465526706 /nfs/dbraw/zinc/52/67/06/465526706.db2.gz FKAOJVDJNXHXCW-NRFANRHFSA-N 2 2 341.499 2.137 20 30 EEEDLP C#CC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000360054248 465526709 /nfs/dbraw/zinc/52/67/09/465526709.db2.gz FKAOJVDJNXHXCW-NRFANRHFSA-N 2 2 341.499 2.137 20 30 EEEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330340371 465620138 /nfs/dbraw/zinc/62/01/38/465620138.db2.gz XVQWPEQZXYAPGR-BFYDXBDKSA-N 2 2 349.479 2.018 20 30 EEEDLP N#Cc1csc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344522802 465639041 /nfs/dbraw/zinc/63/90/41/465639041.db2.gz IBZXBKPSJBQCRU-GOSISDBHSA-N 2 2 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C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)C#N ZINC000433315870 467317782 /nfs/dbraw/zinc/31/77/82/467317782.db2.gz ZJFZPVGYZHPPMV-FUHWJXTLSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)C#N ZINC000433315870 467317784 /nfs/dbraw/zinc/31/77/84/467317784.db2.gz ZJFZPVGYZHPPMV-FUHWJXTLSA-N 2 2 342.487 2.247 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444217115 467582147 /nfs/dbraw/zinc/58/21/47/467582147.db2.gz VZMGBEMAGXIXIY-AOIWGVFYSA-N 2 2 334.508 2.237 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444217115 467582148 /nfs/dbraw/zinc/58/21/48/467582148.db2.gz VZMGBEMAGXIXIY-AOIWGVFYSA-N 2 2 334.508 2.237 20 30 EEEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnc12 ZINC000570162263 468598999 /nfs/dbraw/zinc/59/89/99/468598999.db2.gz GRFHPHXZMFWQEG-YJBOKZPZSA-N 2 2 336.443 2.050 20 30 EEEDLP 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349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023555018 679375480 /nfs/dbraw/zinc/37/54/80/679375480.db2.gz TUYRVQQWHJOEDD-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001023555018 679375482 /nfs/dbraw/zinc/37/54/82/679375482.db2.gz TUYRVQQWHJOEDD-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001023555018 679375484 /nfs/dbraw/zinc/37/54/84/679375484.db2.gz TUYRVQQWHJOEDD-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]12 ZINC001026294706 684211332 /nfs/dbraw/zinc/21/13/32/684211332.db2.gz USHVPVULNQCHEE-BRWVUGGUSA-N 2 2 330.476 2.329 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001485637702 1191865552 /nfs/dbraw/zinc/86/55/52/1191865552.db2.gz DFOUTXLHIYKCHN-MLGOLLRUSA-N 2 2 348.834 2.135 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943950747 1192707360 /nfs/dbraw/zinc/70/73/60/1192707360.db2.gz RKLWLHWWUBQOCZ-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943950747 1192707363 /nfs/dbraw/zinc/70/73/63/1192707363.db2.gz RKLWLHWWUBQOCZ-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001269138734 1183995468 /nfs/dbraw/zinc/99/54/68/1183995468.db2.gz ZNLAWQKZZSQCAP-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001269138734 1183995470 /nfs/dbraw/zinc/99/54/70/1183995470.db2.gz ZNLAWQKZZSQCAP-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001269138734 1183995472 /nfs/dbraw/zinc/99/54/72/1183995472.db2.gz ZNLAWQKZZSQCAP-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001269138734 1183995475 /nfs/dbraw/zinc/99/54/75/1183995475.db2.gz ZNLAWQKZZSQCAP-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005426246 1195419379 /nfs/dbraw/zinc/41/93/79/1195419379.db2.gz RFOHABDWHUAVJS-UHFFFAOYSA-N 2 2 330.476 2.261 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034250313 1195983592 /nfs/dbraw/zinc/98/35/92/1195983592.db2.gz RYYRHNLMLTTXSL-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034250313 1195983597 /nfs/dbraw/zinc/98/35/97/1195983597.db2.gz RYYRHNLMLTTXSL-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034250313 1195983602 /nfs/dbraw/zinc/98/36/02/1195983602.db2.gz RYYRHNLMLTTXSL-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034250313 1195983605 /nfs/dbraw/zinc/98/36/05/1195983605.db2.gz RYYRHNLMLTTXSL-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132521581 1199830742 /nfs/dbraw/zinc/83/07/42/1199830742.db2.gz FQICZFIBFQWATO-VQIMIIECSA-N 2 2 342.487 2.368 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132521581 1199830744 /nfs/dbraw/zinc/83/07/44/1199830744.db2.gz FQICZFIBFQWATO-VQIMIIECSA-N 2 2 342.487 2.368 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132521581 1199830745 /nfs/dbraw/zinc/83/07/45/1199830745.db2.gz FQICZFIBFQWATO-VQIMIIECSA-N 2 2 342.487 2.368 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132521581 1199830749 /nfs/dbraw/zinc/83/07/49/1199830749.db2.gz FQICZFIBFQWATO-VQIMIIECSA-N 2 2 342.487 2.368 20 30 EEEDLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](CCCCC#N)CC2 ZINC001274043897 1204343237 /nfs/dbraw/zinc/34/32/37/1204343237.db2.gz WDHMWSLYNCDETL-UHFFFAOYSA-N 2 2 343.475 2.319 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891878 1208763982 /nfs/dbraw/zinc/76/39/82/1208763982.db2.gz WXJHUJUNWDMBQF-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891878 1208763985 /nfs/dbraw/zinc/76/39/85/1208763985.db2.gz WXJHUJUNWDMBQF-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP COc1ccc([C@@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)cc1OC ZINC000303771064 1213904117 /nfs/dbraw/zinc/90/41/17/1213904117.db2.gz CHYRFALFIKODIS-OAHLLOKOSA-N 2 2 334.464 2.107 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000961274342 1217122283 /nfs/dbraw/zinc/12/22/83/1217122283.db2.gz RKQOQHAQCNSHNI-QZTJIDSGSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000961274342 1217122284 /nfs/dbraw/zinc/12/22/84/1217122284.db2.gz 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CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016340531 1226367138 /nfs/dbraw/zinc/36/71/38/1226367138.db2.gz XVXLHUKMOTUNDS-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1)n1cc[nH+]c1 ZINC001019447878 1229116818 /nfs/dbraw/zinc/11/68/18/1229116818.db2.gz YIRSZYNXULECQR-QAPCUYQASA-N 2 2 337.427 2.097 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001039139827 1230354699 /nfs/dbraw/zinc/35/46/99/1230354699.db2.gz KKAGNPHAABDSEB-ZWKOTPCHSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001039139827 1230354704 /nfs/dbraw/zinc/35/47/04/1230354704.db2.gz KKAGNPHAABDSEB-ZWKOTPCHSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001039409780 1230590440 /nfs/dbraw/zinc/59/04/40/1230590440.db2.gz IJNAEMHXAWCYIK-SJORKVTESA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C 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C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053059393 1245793483 /nfs/dbraw/zinc/79/34/83/1245793483.db2.gz SQYHKVLXBOSMPN-QZTJIDSGSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001101590230 1245996922 /nfs/dbraw/zinc/99/69/22/1245996922.db2.gz FPGAFKBVAKRFFH-UHFFFAOYSA-N 2 2 332.492 2.393 20 30 EEEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001054034831 1247187031 /nfs/dbraw/zinc/18/70/31/1247187031.db2.gz AKBZTFGAINFVGF-RTBURBONSA-N 2 2 327.472 2.200 20 30 EEEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001054034831 1247187035 /nfs/dbraw/zinc/18/70/35/1247187035.db2.gz AKBZTFGAINFVGF-RTBURBONSA-N 2 2 327.472 2.200 20 30 EEEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054034831 1247187039 /nfs/dbraw/zinc/18/70/39/1247187039.db2.gz AKBZTFGAINFVGF-RTBURBONSA-N 2 2 327.472 2.200 20 30 EEEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054034831 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YDPVASMBLHNBJP-UHFFFAOYSA-N 2 2 348.450 2.417 20 30 EEEDLP CC#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290875 1248024980 /nfs/dbraw/zinc/02/49/80/1248024980.db2.gz YDPVASMBLHNBJP-UHFFFAOYSA-N 2 2 348.450 2.417 20 30 EEEDLP C=CCCCC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273502088 1278595774 /nfs/dbraw/zinc/59/57/74/1278595774.db2.gz XQVPBVOWBJKOMV-IBGZPJMESA-N 2 2 344.459 2.081 20 30 EEEDLP C=CCCCC[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273502088 1278595779 /nfs/dbraw/zinc/59/57/79/1278595779.db2.gz XQVPBVOWBJKOMV-IBGZPJMESA-N 2 2 344.459 2.081 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309331 1283979700 /nfs/dbraw/zinc/97/97/00/1283979700.db2.gz BFQBLKVYJURAPS-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309331 1283979705 /nfs/dbraw/zinc/97/97/05/1283979705.db2.gz BFQBLKVYJURAPS-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196340054 1284010495 /nfs/dbraw/zinc/01/04/95/1284010495.db2.gz DNAQLCGLMXUQSG-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196340054 1284010507 /nfs/dbraw/zinc/01/05/07/1284010507.db2.gz DNAQLCGLMXUQSG-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196340054 1284010512 /nfs/dbraw/zinc/01/05/12/1284010512.db2.gz DNAQLCGLMXUQSG-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196340054 1284010522 /nfs/dbraw/zinc/01/05/22/1284010522.db2.gz DNAQLCGLMXUQSG-MRXNPFEDSA-N 2 2 330.476 2.324 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161233 1286890619 /nfs/dbraw/zinc/89/06/19/1286890619.db2.gz GOHLABBZCMSBGD-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161233 1286890643 /nfs/dbraw/zinc/89/06/43/1286890643.db2.gz GOHLABBZCMSBGD-VQIMIIECSA-N 2 2 346.475 2.000 20 30 EEEDLP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000859213186 1294350537 /nfs/dbraw/zinc/35/05/37/1294350537.db2.gz UXQHGIJKXIKQSC-LJQANCHMSA-N 2 2 336.439 2.278 20 30 EEEDLP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000859213186 1294350540 /nfs/dbraw/zinc/35/05/40/1294350540.db2.gz UXQHGIJKXIKQSC-LJQANCHMSA-N 2 2 336.439 2.278 20 30 EEEDLP N#Cc1cccc(CN2CC[C@@]3(CCC[N@@H+]3CCn3cc[nH+]c3)C2=O)c1 ZINC001276701867 1296030920 /nfs/dbraw/zinc/03/09/20/1296030920.db2.gz RPXUQGYTTLWCBY-FQEVSTJZSA-N 2 2 349.438 2.022 20 30 EEEDLP N#Cc1cccc(CN2CC[C@@]3(CCC[N@H+]3CCn3cc[nH+]c3)C2=O)c1 ZINC001276701867 1296030924 /nfs/dbraw/zinc/03/09/24/1296030924.db2.gz RPXUQGYTTLWCBY-FQEVSTJZSA-N 2 2 349.438 2.022 20 30 EEEDLP Cc1[nH]c(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000886664421 1296642818 /nfs/dbraw/zinc/64/28/18/1296642818.db2.gz LVNSRCNSZGERRT-QGZVFWFLSA-N 2 2 337.427 2.304 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942427 1299215691 /nfs/dbraw/zinc/21/56/91/1299215691.db2.gz LLAUMYQOUXHXPN-GUDVDZBRSA-N 2 2 327.472 2.398 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942427 1299215701 /nfs/dbraw/zinc/21/57/01/1299215701.db2.gz LLAUMYQOUXHXPN-GUDVDZBRSA-N 2 2 327.472 2.398 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942427 1299215732 /nfs/dbraw/zinc/21/57/32/1299215732.db2.gz LLAUMYQOUXHXPN-GUDVDZBRSA-N 2 2 327.472 2.398 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104046 1300310646 /nfs/dbraw/zinc/31/06/46/1300310646.db2.gz CIDXABIJXSFNTC-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104046 1300310661 /nfs/dbraw/zinc/31/06/61/1300310661.db2.gz CIDXABIJXSFNTC-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP Cn1c[nH+]cc1CN1c2ccccc2[C@]2(CC[N@H+](CCCC#N)C2)C1=O ZINC001276951797 1300455083 /nfs/dbraw/zinc/45/50/83/1300455083.db2.gz RWTJZTLKGRFRTE-HXUWFJFHSA-N 2 2 349.438 2.214 20 30 EEEDLP Cn1c[nH+]cc1CN1c2ccccc2[C@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001276951797 1300455088 /nfs/dbraw/zinc/45/50/88/1300455088.db2.gz RWTJZTLKGRFRTE-HXUWFJFHSA-N 2 2 349.438 2.214 20 30 EEEDLP CC[C@@H](C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)[NH+](C)C ZINC001229223190 1302682562 /nfs/dbraw/zinc/68/25/62/1302682562.db2.gz KLIPRNPSKOZOTC-SFHVURJKSA-N 2 2 346.450 2.118 20 30 EEEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001112423613 1304541619 /nfs/dbraw/zinc/54/16/19/1304541619.db2.gz ALGKWMUZWSWPPF-PXNSSMCTSA-N 2 2 342.487 2.168 20 30 EEEDLP N#Cc1ccc(N2CCC[N@H+](Cc3cccc4c[nH+]cn43)CC2)nc1 ZINC001238120084 1306233296 /nfs/dbraw/zinc/23/32/96/1306233296.db2.gz UBLYQFUMRMHGIL-UHFFFAOYSA-N 2 2 332.411 2.313 20 30 EEEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001121313997 1309978136 /nfs/dbraw/zinc/97/81/36/1309978136.db2.gz LQWAZWKWEQBFRL-UEBDJUODSA-N 2 2 342.487 2.429 20 30 EEEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001121318850 1309979688 /nfs/dbraw/zinc/97/96/88/1309979688.db2.gz PAJKQJPAQNAWCE-UEBDJUODSA-N 2 2 342.487 2.429 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001151375026 1316516298 /nfs/dbraw/zinc/51/62/98/1316516298.db2.gz UBBMLDAOHYWQRG-INIZCTEOSA-N 2 2 348.491 2.294 20 30 EEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153477212 1316833418 /nfs/dbraw/zinc/83/34/18/1316833418.db2.gz KAAPMOKECXIVQN-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153477212 1316833419 /nfs/dbraw/zinc/83/34/19/1316833419.db2.gz KAAPMOKECXIVQN-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP C=CCC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001153477212 1316833422 /nfs/dbraw/zinc/83/34/22/1316833422.db2.gz KAAPMOKECXIVQN-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP C=CCC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001153477212 1316833424 /nfs/dbraw/zinc/83/34/24/1316833424.db2.gz KAAPMOKECXIVQN-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001158148892 1319044620 /nfs/dbraw/zinc/04/46/20/1319044620.db2.gz UKIVRBLRLWCXDV-SJLPKXTDSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001158148892 1319044624 /nfs/dbraw/zinc/04/46/24/1319044624.db2.gz UKIVRBLRLWCXDV-SJLPKXTDSA-N 2 2 330.476 2.335 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001160984415 1320343620 /nfs/dbraw/zinc/34/36/20/1320343620.db2.gz OGSSLOZGHHKLSL-UHFFFAOYSA-N 2 2 333.395 2.344 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)(COC)CC1 ZINC001162507180 1320880333 /nfs/dbraw/zinc/88/03/33/1320880333.db2.gz QWOHFBWOSPJYFI-MRXNPFEDSA-N 2 2 348.491 2.152 20 30 EEEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001162955493 1320995997 /nfs/dbraw/zinc/99/59/97/1320995997.db2.gz HUBSVYBGLXPYHQ-QGZVFWFLSA-N 2 2 340.471 2.435 20 30 EEEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001162955493 1320996000 /nfs/dbraw/zinc/99/60/00/1320996000.db2.gz HUBSVYBGLXPYHQ-QGZVFWFLSA-N 2 2 340.471 2.435 20 30 EEEDLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C12CCC2 ZINC001203442922 1321882004 /nfs/dbraw/zinc/88/20/04/1321882004.db2.gz MFHJWGCSAIFDPH-OALUTQOASA-N 2 2 348.450 2.021 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203669062 1321936439 /nfs/dbraw/zinc/93/64/39/1321936439.db2.gz KQKRQVBTIVPDDF-SJORKVTESA-N 2 2 330.476 2.336 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001135133263 1368047067 /nfs/dbraw/zinc/04/70/67/1368047067.db2.gz XSSZTEQSHQBNJD-MSOLQXFVSA-N 2 2 338.455 2.198 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001488683687 1369030026 /nfs/dbraw/zinc/03/00/26/1369030026.db2.gz LBQMFVWPFQJSSA-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001488683687 1369030031 /nfs/dbraw/zinc/03/00/31/1369030031.db2.gz LBQMFVWPFQJSSA-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001488683687 1369030038 /nfs/dbraw/zinc/03/00/38/1369030038.db2.gz LBQMFVWPFQJSSA-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001488683687 1369030042 /nfs/dbraw/zinc/03/00/42/1369030042.db2.gz LBQMFVWPFQJSSA-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000799489654 1371659521 /nfs/dbraw/zinc/65/95/21/1371659521.db2.gz YICRBOMKGOBIIM-GOSISDBHSA-N 2 2 344.503 2.196 20 30 EEEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001379561934 1380759026 /nfs/dbraw/zinc/75/90/26/1380759026.db2.gz BLMCMYYHVAQYDL-HNNXBMFYSA-N 2 2 339.443 2.138 20 30 EEEDLP C[N@H+](CCNC(=O)CCC[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC001390858893 1388826783 /nfs/dbraw/zinc/82/67/83/1388826783.db2.gz QIVLDLGWORYDAK-UHFFFAOYSA-N 2 2 346.450 2.121 20 30 EEEDLP C[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC001390858893 1388826786 /nfs/dbraw/zinc/82/67/86/1388826786.db2.gz QIVLDLGWORYDAK-UHFFFAOYSA-N 2 2 346.450 2.121 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087321087 761622629 /nfs/dbraw/zinc/62/26/29/761622629.db2.gz OREAZUXQLHTQSC-KBAYOESNSA-N 2 2 330.476 2.455 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087321087 761622631 /nfs/dbraw/zinc/62/26/31/761622631.db2.gz OREAZUXQLHTQSC-KBAYOESNSA-N 2 2 330.476 2.455 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089660412 774042497 /nfs/dbraw/zinc/04/24/97/774042497.db2.gz JIEBWNSKWMRWPZ-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089660412 774042504 /nfs/dbraw/zinc/04/25/04/774042504.db2.gz JIEBWNSKWMRWPZ-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660645 774045014 /nfs/dbraw/zinc/04/50/14/774045014.db2.gz MPMHTVUMKYPCPT-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660645 774045020 /nfs/dbraw/zinc/04/50/20/774045020.db2.gz MPMHTVUMKYPCPT-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821478 776982709 /nfs/dbraw/zinc/98/27/09/776982709.db2.gz UFCHHNLRCPSIRS-LLLHUVSDSA-N 2 2 348.878 2.264 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821478 776982716 /nfs/dbraw/zinc/98/27/16/776982716.db2.gz UFCHHNLRCPSIRS-LLLHUVSDSA-N 2 2 348.878 2.264 20 30 EEEDLP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981340677 777183863 /nfs/dbraw/zinc/18/38/63/777183863.db2.gz HULTWIANRHONIF-UHFFFAOYSA-N 2 2 340.471 2.077 20 30 EEEDLP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981340677 777183866 /nfs/dbraw/zinc/18/38/66/777183866.db2.gz HULTWIANRHONIF-UHFFFAOYSA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981340677 777183869 /nfs/dbraw/zinc/18/38/69/777183869.db2.gz HULTWIANRHONIF-UHFFFAOYSA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981340677 777183872 /nfs/dbraw/zinc/18/38/72/777183872.db2.gz HULTWIANRHONIF-UHFFFAOYSA-N 2 2 340.471 2.077 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947335020 790973997 /nfs/dbraw/zinc/97/39/97/790973997.db2.gz XFNPOSWUWNXQKW-HZPDHXFCSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947335020 790974003 /nfs/dbraw/zinc/97/40/03/790974003.db2.gz XFNPOSWUWNXQKW-HZPDHXFCSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035486200 784570597 /nfs/dbraw/zinc/57/05/97/784570597.db2.gz YEBKEFAZFIZHCU-RTBURBONSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001035486200 784570604 /nfs/dbraw/zinc/57/06/04/784570604.db2.gz YEBKEFAZFIZHCU-RTBURBONSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001035486200 784570612 /nfs/dbraw/zinc/57/06/12/784570612.db2.gz YEBKEFAZFIZHCU-RTBURBONSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001035486200 784570616 /nfs/dbraw/zinc/57/06/16/784570616.db2.gz YEBKEFAZFIZHCU-RTBURBONSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035733125 785039238 /nfs/dbraw/zinc/03/92/38/785039238.db2.gz VDZLADYJYGOINB-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035733125 785039245 /nfs/dbraw/zinc/03/92/45/785039245.db2.gz VDZLADYJYGOINB-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035815737 785165777 /nfs/dbraw/zinc/16/57/77/785165777.db2.gz WEVOWESUTIPZGO-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035815737 785165784 /nfs/dbraw/zinc/16/57/84/785165784.db2.gz WEVOWESUTIPZGO-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CCOc1ccccc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819071934 785411793 /nfs/dbraw/zinc/41/17/93/785411793.db2.gz FOTDCGKRVIBDTH-FQEVSTJZSA-N 2 2 338.451 2.281 20 30 EEEDLP C#CCOc1ccccc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819071934 785411799 /nfs/dbraw/zinc/41/17/99/785411799.db2.gz FOTDCGKRVIBDTH-FQEVSTJZSA-N 2 2 338.451 2.281 20 30 EEEDLP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098820351 787264505 /nfs/dbraw/zinc/26/45/05/787264505.db2.gz IDIZYNGRUIWAJV-WMZOPIPTSA-N 2 2 342.487 2.363 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001091031804 789456057 /nfs/dbraw/zinc/45/60/57/789456057.db2.gz QKRWSVJUXWABDT-UHFFFAOYSA-N 2 2 332.835 2.493 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001107946088 789703581 /nfs/dbraw/zinc/70/35/81/789703581.db2.gz PTYTVEKAMXQYGE-FXAWDEMLSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001107946088 789703584 /nfs/dbraw/zinc/70/35/84/789703584.db2.gz PTYTVEKAMXQYGE-FXAWDEMLSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001107946088 789703592 /nfs/dbraw/zinc/70/35/92/789703592.db2.gz PTYTVEKAMXQYGE-FXAWDEMLSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001107946088 789703599 /nfs/dbraw/zinc/70/35/99/789703599.db2.gz PTYTVEKAMXQYGE-FXAWDEMLSA-N 2 2 349.519 2.034 20 30 EEEDLP C#Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)cc1 ZINC001144569527 789949396 /nfs/dbraw/zinc/94/93/96/789949396.db2.gz SYIWCJGUONXYMQ-NRFANRHFSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)cc1 ZINC001144569527 789949397 /nfs/dbraw/zinc/94/93/97/789949397.db2.gz SYIWCJGUONXYMQ-NRFANRHFSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001144569527 789949401 /nfs/dbraw/zinc/94/94/01/789949401.db2.gz SYIWCJGUONXYMQ-NRFANRHFSA-N 2 2 342.483 2.229 20 30 EEEDLP C#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001144569527 789949405 /nfs/dbraw/zinc/94/94/05/789949405.db2.gz SYIWCJGUONXYMQ-NRFANRHFSA-N 2 2 342.483 2.229 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125157 794659031 /nfs/dbraw/zinc/65/90/31/794659031.db2.gz DMIXXPSZBCRVCL-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125157 794659035 /nfs/dbraw/zinc/65/90/35/794659035.db2.gz DMIXXPSZBCRVCL-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@H]21 ZINC001036841684 795423053 /nfs/dbraw/zinc/42/30/53/795423053.db2.gz BPPSKXVSALLHHZ-FUHWJXTLSA-N 2 2 338.455 2.294 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@H]21 ZINC001036841684 795423059 /nfs/dbraw/zinc/42/30/59/795423059.db2.gz BPPSKXVSALLHHZ-FUHWJXTLSA-N 2 2 338.455 2.294 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001093598884 795439166 /nfs/dbraw/zinc/43/91/66/795439166.db2.gz JGLQLIRXQKSBAD-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001093598884 795439167 /nfs/dbraw/zinc/43/91/67/795439167.db2.gz JGLQLIRXQKSBAD-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860982 795547102 /nfs/dbraw/zinc/54/71/02/795547102.db2.gz QSKSISJCGWYCMC-UYAOXDASSA-N 2 2 348.450 2.432 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860982 795547108 /nfs/dbraw/zinc/54/71/08/795547108.db2.gz QSKSISJCGWYCMC-UYAOXDASSA-N 2 2 348.450 2.432 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028110 795881483 /nfs/dbraw/zinc/88/14/83/795881483.db2.gz CEDFBILNOQGDRS-LJQANCHMSA-N 2 2 342.443 2.350 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028110 795881492 /nfs/dbraw/zinc/88/14/92/795881492.db2.gz CEDFBILNOQGDRS-LJQANCHMSA-N 2 2 342.443 2.350 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993523473 796780087 /nfs/dbraw/zinc/78/00/87/796780087.db2.gz RJMDLZVHMWSVPU-ZBFHGGJFSA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993523473 796780091 /nfs/dbraw/zinc/78/00/91/796780091.db2.gz RJMDLZVHMWSVPU-ZBFHGGJFSA-N 2 2 334.464 2.285 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993826442 797056871 /nfs/dbraw/zinc/05/68/71/797056871.db2.gz QCQAFYWIWKHAET-GDBMZVCRSA-N 2 2 332.448 2.039 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994061871 797268969 /nfs/dbraw/zinc/26/89/69/797268969.db2.gz VNIQABHOCBGYTR-HZPDHXFCSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994061871 797268974 /nfs/dbraw/zinc/26/89/74/797268974.db2.gz VNIQABHOCBGYTR-HZPDHXFCSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181786914 800903729 /nfs/dbraw/zinc/90/37/29/800903729.db2.gz PAPUYOINOLWAOD-LSCFUAHRSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181786914 800903735 /nfs/dbraw/zinc/90/37/35/800903735.db2.gz PAPUYOINOLWAOD-LSCFUAHRSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181951510 800972561 /nfs/dbraw/zinc/97/25/61/800972561.db2.gz BIMZICMUSIVKCS-FUHIMQAGSA-N 2 2 344.503 2.486 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033199379 803064171 /nfs/dbraw/zinc/06/41/71/803064171.db2.gz RTIFBPYJMZIYBH-WOJBJXKFSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033199379 803064179 /nfs/dbraw/zinc/06/41/79/803064179.db2.gz RTIFBPYJMZIYBH-WOJBJXKFSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199379 803064185 /nfs/dbraw/zinc/06/41/85/803064185.db2.gz RTIFBPYJMZIYBH-WOJBJXKFSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199379 803064190 /nfs/dbraw/zinc/06/41/90/803064190.db2.gz RTIFBPYJMZIYBH-WOJBJXKFSA-N 2 2 339.483 2.055 20 30 EEEDLP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266070 811379028 /nfs/dbraw/zinc/37/90/28/811379028.db2.gz KKFBJWWVILAGSX-UHFFFAOYSA-N 2 2 337.358 2.093 20 30 EEEDLP C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC001499364887 1112252975 /nfs/dbraw/zinc/25/29/75/1112252975.db2.gz HTMRCRUUDBMVSH-OAHLLOKOSA-N 2 2 337.427 2.144 20 30 EEEDLP C[C@H](CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC001499365097 1112253886 /nfs/dbraw/zinc/25/38/86/1112253886.db2.gz PDEKNJVCIHHTAU-OAHLLOKOSA-N 2 2 337.427 2.144 20 30 EEEDLP C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181876136 234362728 /nfs/dbraw/zinc/36/27/28/234362728.db2.gz DSHNQPKGKDMKCL-OXQOHEQNSA-N 2 2 343.471 2.306 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271679598 201245689 /nfs/dbraw/zinc/24/56/89/201245689.db2.gz JFYRWYKGNVAAQM-AWEZNQCLSA-N 2 2 337.489 2.025 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000264331011 246361446 /nfs/dbraw/zinc/36/14/46/246361446.db2.gz KOXBACLFLZEMGQ-UHFFFAOYSA-N 2 2 348.454 2.271 20 30 EEEDLP C#CC[N@@H+](C)CCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000491394852 533098369 /nfs/dbraw/zinc/09/83/69/533098369.db2.gz OPKHYSGGSJFKOO-UHFFFAOYSA-N 2 2 338.455 2.375 20 30 EEEDLP C#CC[N@H+](C)CCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000491394852 533098360 /nfs/dbraw/zinc/09/83/60/533098360.db2.gz OPKHYSGGSJFKOO-UHFFFAOYSA-N 2 2 338.455 2.375 20 30 EEEDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000581380378 324242040 /nfs/dbraw/zinc/24/20/40/324242040.db2.gz RSTXUVZHEDHZSA-SFHVURJKSA-N 2 2 329.444 2.254 20 30 EEEDLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000581380378 324242045 /nfs/dbraw/zinc/24/20/45/324242045.db2.gz RSTXUVZHEDHZSA-SFHVURJKSA-N 2 2 329.444 2.254 20 30 EEEDLP C=CC[N@H+](Cc1cccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000119939008 462944533 /nfs/dbraw/zinc/94/45/33/462944533.db2.gz UTXJYAYVJLAAJA-UHFFFAOYSA-N 2 2 343.500 2.478 20 30 EEEDLP C=CC[N@@H+](Cc1cccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000119939008 462944534 /nfs/dbraw/zinc/94/45/34/462944534.db2.gz UTXJYAYVJLAAJA-UHFFFAOYSA-N 2 2 343.500 2.478 20 30 EEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1sc(C)nc1C ZINC000262392927 464016750 /nfs/dbraw/zinc/01/67/50/464016750.db2.gz MMXNZHDWPZLVHH-UHFFFAOYSA-N 2 2 332.477 2.158 20 30 EEEDLP COCCC[N@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286019681 464776297 /nfs/dbraw/zinc/77/62/97/464776297.db2.gz JQODVSBRHXBQGT-UHFFFAOYSA-N 2 2 330.476 2.085 20 30 EEEDLP COCCC[N@@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286019681 464776302 /nfs/dbraw/zinc/77/63/02/464776302.db2.gz JQODVSBRHXBQGT-UHFFFAOYSA-N 2 2 330.476 2.085 20 30 EEEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348325220 465551383 /nfs/dbraw/zinc/55/13/83/465551383.db2.gz QKPXIXIJZBDFGJ-BGYRXZFFSA-N 2 2 339.483 2.251 20 30 EEEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348325220 465551386 /nfs/dbraw/zinc/55/13/86/465551386.db2.gz QKPXIXIJZBDFGJ-BGYRXZFFSA-N 2 2 339.483 2.251 20 30 EEEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348325220 465551389 /nfs/dbraw/zinc/55/13/89/465551389.db2.gz QKPXIXIJZBDFGJ-BGYRXZFFSA-N 2 2 339.483 2.251 20 30 EEEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348325220 465551393 /nfs/dbraw/zinc/55/13/93/465551393.db2.gz QKPXIXIJZBDFGJ-BGYRXZFFSA-N 2 2 339.483 2.251 20 30 EEEDLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000361116336 465775297 /nfs/dbraw/zinc/77/52/97/465775297.db2.gz CFZWOINXUUOWTO-UHFFFAOYSA-N 2 2 329.444 2.108 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C#N)c1C ZINC000330756278 465793252 /nfs/dbraw/zinc/79/32/52/465793252.db2.gz ZEAQNPGSHAGIHF-ZDUSSCGKSA-N 2 2 332.448 2.369 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000373100606 466693095 /nfs/dbraw/zinc/69/30/95/466693095.db2.gz SOLJPDRBRFLVHP-CYBMUJFWSA-N 2 2 329.429 2.171 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000373100606 466693100 /nfs/dbraw/zinc/69/31/00/466693100.db2.gz SOLJPDRBRFLVHP-CYBMUJFWSA-N 2 2 329.429 2.171 20 30 EEEDLP C[NH+]1CCN([C@H](C[NH2+]C[C@H](C#N)CCC#N)c2cccs2)CC1 ZINC000551683527 468246312 /nfs/dbraw/zinc/24/63/12/468246312.db2.gz NDIKYRBUSNCWCE-JKSUJKDBSA-N 2 2 331.489 2.070 20 30 EEEDLP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000598593953 468926160 /nfs/dbraw/zinc/92/61/60/468926160.db2.gz YNCWBAXTGVAGCN-IBGZPJMESA-N 2 2 344.503 2.321 20 30 EEEDLP C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000598593953 468926166 /nfs/dbraw/zinc/92/61/66/468926166.db2.gz YNCWBAXTGVAGCN-IBGZPJMESA-N 2 2 344.503 2.321 20 30 EEEDLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(C#N)n2)c2ccccc2)CC1 ZINC000602500156 469340570 /nfs/dbraw/zinc/34/05/70/469340570.db2.gz NYRHSGVRFLKRAB-HXUWFJFHSA-N 2 2 335.455 2.032 20 30 EEEDLP N#CCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127952 577513547 /nfs/dbraw/zinc/51/35/47/577513547.db2.gz GGQAMJODDTUGTH-MOPGFXCFSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127952 577513548 /nfs/dbraw/zinc/51/35/48/577513548.db2.gz GGQAMJODDTUGTH-MOPGFXCFSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127952 577513549 /nfs/dbraw/zinc/51/35/49/577513549.db2.gz GGQAMJODDTUGTH-MOPGFXCFSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127952 577513550 /nfs/dbraw/zinc/51/35/50/577513550.db2.gz GGQAMJODDTUGTH-MOPGFXCFSA-N 2 2 340.471 2.003 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753935781 577796599 /nfs/dbraw/zinc/79/65/99/577796599.db2.gz PQVJZBUDBQRQDM-ZTFGCOKTSA-N 2 2 340.475 2.139 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753935781 577796600 /nfs/dbraw/zinc/79/66/00/577796600.db2.gz PQVJZBUDBQRQDM-ZTFGCOKTSA-N 2 2 340.475 2.139 20 30 EEEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000969115968 674588248 /nfs/dbraw/zinc/58/82/48/674588248.db2.gz ZJBXEQLXLLMAIH-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000969115968 674588249 /nfs/dbraw/zinc/58/82/49/674588249.db2.gz ZJBXEQLXLLMAIH-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000969689206 675168584 /nfs/dbraw/zinc/16/85/84/675168584.db2.gz GYMRMWGKOKHEQV-SOLBZPMBSA-N 2 2 342.487 2.167 20 30 EEEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000972440617 678745758 /nfs/dbraw/zinc/74/57/58/678745758.db2.gz HNXIPRRSPKCOPE-FQEVSTJZSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000972440617 678745760 /nfs/dbraw/zinc/74/57/60/678745760.db2.gz HNXIPRRSPKCOPE-FQEVSTJZSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000972440617 678745762 /nfs/dbraw/zinc/74/57/62/678745762.db2.gz HNXIPRRSPKCOPE-FQEVSTJZSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000972440617 678745764 /nfs/dbraw/zinc/74/57/64/678745764.db2.gz HNXIPRRSPKCOPE-FQEVSTJZSA-N 2 2 349.519 2.129 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024487495 679967901 /nfs/dbraw/zinc/96/79/01/679967901.db2.gz QEAPAYJTJOKJLW-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024487495 679967904 /nfs/dbraw/zinc/96/79/04/679967904.db2.gz QEAPAYJTJOKJLW-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024487495 679967910 /nfs/dbraw/zinc/96/79/10/679967910.db2.gz QEAPAYJTJOKJLW-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024487495 679967907 /nfs/dbraw/zinc/96/79/07/679967907.db2.gz QEAPAYJTJOKJLW-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254650 682343399 /nfs/dbraw/zinc/34/33/99/682343399.db2.gz MHTPVKUGCDEIGZ-MSOLQXFVSA-N 2 2 328.460 2.142 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254650 682343403 /nfs/dbraw/zinc/34/34/03/682343403.db2.gz MHTPVKUGCDEIGZ-MSOLQXFVSA-N 2 2 328.460 2.142 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC000992871799 683610809 /nfs/dbraw/zinc/61/08/09/683610809.db2.gz LDTSRUBDPOBZTM-RYQLBKOJSA-N 2 2 330.476 2.146 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC000992876601 683617795 /nfs/dbraw/zinc/61/77/95/683617795.db2.gz VQDLGMPXUBCOEQ-SOUVJXGZSA-N 2 2 336.867 2.230 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001029357396 684086901 /nfs/dbraw/zinc/08/69/01/684086901.db2.gz HEJUFZJAYXPHSU-CEXWTWQISA-N 2 2 340.471 2.074 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001029357396 684086902 /nfs/dbraw/zinc/08/69/02/684086902.db2.gz HEJUFZJAYXPHSU-CEXWTWQISA-N 2 2 340.471 2.074 20 30 EEEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986215800 688383185 /nfs/dbraw/zinc/38/31/85/688383185.db2.gz ULZWFSGJLYVVFL-DOMZBBRYSA-N 2 2 343.456 2.055 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001089885780 1192686226 /nfs/dbraw/zinc/68/62/26/1192686226.db2.gz AGKPSAXQDBQUFA-QAETUUGQSA-N 2 2 342.487 2.432 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001089885780 1192686229 /nfs/dbraw/zinc/68/62/29/1192686229.db2.gz AGKPSAXQDBQUFA-QAETUUGQSA-N 2 2 342.487 2.432 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950749 1192707481 /nfs/dbraw/zinc/70/74/81/1192707481.db2.gz RKLWLHWWUBQOCZ-WBVHZDCISA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950749 1192707484 /nfs/dbraw/zinc/70/74/84/1192707484.db2.gz RKLWLHWWUBQOCZ-WBVHZDCISA-N 2 2 339.443 2.284 20 30 EEEDLP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC001480863733 1176077760 /nfs/dbraw/zinc/07/77/60/1176077760.db2.gz FMDBKYBBOWQZRL-UHFFFAOYSA-N 2 2 348.516 2.432 20 30 EEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000072671830 1192871855 /nfs/dbraw/zinc/87/18/55/1192871855.db2.gz GDKHGOBKCDXZCQ-HXUWFJFHSA-N 2 2 344.503 2.483 20 30 EEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000072671830 1192871862 /nfs/dbraw/zinc/87/18/62/1192871862.db2.gz GDKHGOBKCDXZCQ-HXUWFJFHSA-N 2 2 344.503 2.483 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034219216 1195958750 /nfs/dbraw/zinc/95/87/50/1195958750.db2.gz LTMTVZGBAIMMRR-INIZCTEOSA-N 2 2 330.476 2.309 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034219216 1195958755 /nfs/dbraw/zinc/95/87/55/1195958755.db2.gz LTMTVZGBAIMMRR-INIZCTEOSA-N 2 2 330.476 2.309 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227276 1199409189 /nfs/dbraw/zinc/40/91/89/1199409189.db2.gz DPEFEJMKXQKKCL-LSDHHAIUSA-N 2 2 339.443 2.287 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132838417 1200080262 /nfs/dbraw/zinc/08/02/62/1200080262.db2.gz CHNWXKXVBYGBNQ-IAGOWNOFSA-N 2 2 344.503 2.412 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001132838418 1200080398 /nfs/dbraw/zinc/08/03/98/1200080398.db2.gz CHNWXKXVBYGBNQ-IRXDYDNUSA-N 2 2 344.503 2.412 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568699 1201525048 /nfs/dbraw/zinc/52/50/48/1201525048.db2.gz DANWXBSSGDYSDQ-FUHWJXTLSA-N 2 2 339.443 2.222 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001275525332 1205395791 /nfs/dbraw/zinc/39/57/91/1205395791.db2.gz IJKYQFZIQYBFII-KDOFPFPSSA-N 2 2 332.879 2.279 20 30 EEEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001275525332 1205395792 /nfs/dbraw/zinc/39/57/92/1205395792.db2.gz IJKYQFZIQYBFII-KDOFPFPSSA-N 2 2 332.879 2.279 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001275588536 1205433551 /nfs/dbraw/zinc/43/35/51/1205433551.db2.gz CZDXKZAFLUUSDT-FQEVSTJZSA-N 2 2 349.438 2.022 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001275588536 1205433552 /nfs/dbraw/zinc/43/35/52/1205433552.db2.gz CZDXKZAFLUUSDT-FQEVSTJZSA-N 2 2 349.438 2.022 20 30 EEEDLP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H]3CCC[N@H+]3C)n[nH]1)C2 ZINC001095442352 1205758560 /nfs/dbraw/zinc/75/85/60/1205758560.db2.gz XENATGWWJKUMLH-NONVJHHQSA-N 2 2 343.475 2.088 20 30 EEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001095442352 1205758564 /nfs/dbraw/zinc/75/85/64/1205758564.db2.gz XENATGWWJKUMLH-NONVJHHQSA-N 2 2 343.475 2.088 20 30 EEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001095442352 1205758565 /nfs/dbraw/zinc/75/85/65/1205758565.db2.gz XENATGWWJKUMLH-NONVJHHQSA-N 2 2 343.475 2.088 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947571433 1208625441 /nfs/dbraw/zinc/62/54/41/1208625441.db2.gz DYMHZINNHBZACM-WMZOPIPTSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947571433 1208625443 /nfs/dbraw/zinc/62/54/43/1208625443.db2.gz DYMHZINNHBZACM-WMZOPIPTSA-N 2 2 336.439 2.478 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114608588 1213136729 /nfs/dbraw/zinc/13/67/29/1213136729.db2.gz XQNYOYVERLYFOI-MNZLEMJZSA-N 2 2 332.492 2.370 20 30 EEEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114608588 1213136733 /nfs/dbraw/zinc/13/67/33/1213136733.db2.gz XQNYOYVERLYFOI-MNZLEMJZSA-N 2 2 332.492 2.370 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000960892178 1216964165 /nfs/dbraw/zinc/96/41/65/1216964165.db2.gz ASBFHBVIZAKKES-CQSZACIVSA-N 2 2 343.456 2.008 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000960892178 1216964168 /nfs/dbraw/zinc/96/41/68/1216964168.db2.gz ASBFHBVIZAKKES-CQSZACIVSA-N 2 2 343.456 2.008 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390605 1217170968 /nfs/dbraw/zinc/17/09/68/1217170968.db2.gz DNHDULLEALZTIW-SFHVURJKSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390605 1217170969 /nfs/dbraw/zinc/17/09/69/1217170969.db2.gz DNHDULLEALZTIW-SFHVURJKSA-N 2 2 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C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(=C)Cl)C2)C1 ZINC001054146532 1247522404 /nfs/dbraw/zinc/52/24/04/1247522404.db2.gz FXXCNYVZTSWGJN-PKOBYXMFSA-N 2 2 349.906 2.151 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152786 1247541165 /nfs/dbraw/zinc/54/11/65/1247541165.db2.gz HSPQXAALPHSUMG-LJQANCHMSA-N 2 2 330.476 2.427 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152786 1247541171 /nfs/dbraw/zinc/54/11/71/1247541171.db2.gz HSPQXAALPHSUMG-LJQANCHMSA-N 2 2 330.476 2.427 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154181 1247545975 /nfs/dbraw/zinc/54/59/75/1247545975.db2.gz QZKOHUJMQGULDC-HXUWFJFHSA-N 2 2 342.487 2.264 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154181 1247545982 /nfs/dbraw/zinc/54/59/82/1247545982.db2.gz QZKOHUJMQGULDC-HXUWFJFHSA-N 2 2 342.487 2.264 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001054155552 1247551401 /nfs/dbraw/zinc/55/14/01/1247551401.db2.gz UHVZNOYDKPQRBS-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001054155552 1247551405 /nfs/dbraw/zinc/55/14/05/1247551405.db2.gz UHVZNOYDKPQRBS-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001054155552 1247551407 /nfs/dbraw/zinc/55/14/07/1247551407.db2.gz UHVZNOYDKPQRBS-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001054155552 1247551409 /nfs/dbraw/zinc/55/14/09/1247551409.db2.gz UHVZNOYDKPQRBS-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2C1 ZINC001054281913 1248000017 /nfs/dbraw/zinc/00/00/17/1248000017.db2.gz ILEDDZHJISETBV-RTBURBONSA-N 2 2 348.450 2.179 20 30 EEEDLP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2C1 ZINC001054281913 1248000030 /nfs/dbraw/zinc/00/00/30/1248000030.db2.gz ILEDDZHJISETBV-RTBURBONSA-N 2 2 348.450 2.179 20 30 EEEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194314605 1282972382 /nfs/dbraw/zinc/97/23/82/1282972382.db2.gz LJXHQJSNJLYEQA-ZWKOTPCHSA-N 2 2 330.476 2.183 20 30 EEEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194314605 1282972383 /nfs/dbraw/zinc/97/23/83/1282972383.db2.gz LJXHQJSNJLYEQA-ZWKOTPCHSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885527 1285411510 /nfs/dbraw/zinc/41/15/10/1285411510.db2.gz KKDNSNFCXDYTSM-HNNXBMFYSA-N 2 2 339.867 2.146 20 30 EEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1C ZINC001071957049 1295036109 /nfs/dbraw/zinc/03/61/09/1295036109.db2.gz BGFAJILPHWQNTI-HUUCEWRRSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1C ZINC001071957049 1295036113 /nfs/dbraw/zinc/03/61/13/1295036113.db2.gz BGFAJILPHWQNTI-HUUCEWRRSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131653 1296561011 /nfs/dbraw/zinc/56/10/11/1296561011.db2.gz RWLMJAPMGNBBKD-UHFFFAOYSA-N 2 2 334.851 2.048 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131653 1296561020 /nfs/dbraw/zinc/56/10/20/1296561020.db2.gz RWLMJAPMGNBBKD-UHFFFAOYSA-N 2 2 334.851 2.048 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602848 1301276559 /nfs/dbraw/zinc/27/65/59/1301276559.db2.gz GXAKATIPBUORKQ-QRQLOZEOSA-N 2 2 344.503 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602848 1301276563 /nfs/dbraw/zinc/27/65/63/1301276563.db2.gz GXAKATIPBUORKQ-QRQLOZEOSA-N 2 2 344.503 2.335 20 30 EEEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019079 1301654471 /nfs/dbraw/zinc/65/44/71/1301654471.db2.gz FTWPSXVXPVZWQK-IAGOWNOFSA-N 2 2 348.491 2.146 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103156723 1302345597 /nfs/dbraw/zinc/34/55/97/1302345597.db2.gz SWYQUBKBFBKYRT-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103156723 1302345608 /nfs/dbraw/zinc/34/56/08/1302345608.db2.gz SWYQUBKBFBKYRT-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C[NH+](C)C1(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CCCC1 ZINC001230580858 1303291874 /nfs/dbraw/zinc/29/18/74/1303291874.db2.gz RRYLCLVTIDJUPQ-GOSISDBHSA-N 2 2 346.519 2.477 20 30 EEEDLP C[NH+](C)C1(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CCCC1 ZINC001230580858 1303291879 /nfs/dbraw/zinc/29/18/79/1303291879.db2.gz RRYLCLVTIDJUPQ-GOSISDBHSA-N 2 2 346.519 2.477 20 30 EEEDLP CCOCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859393 1304939636 /nfs/dbraw/zinc/93/96/36/1304939636.db2.gz YAKFKHUMFKHLKK-IBGZPJMESA-N 2 2 330.476 2.221 20 30 EEEDLP CCOCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859393 1304939637 /nfs/dbraw/zinc/93/96/37/1304939637.db2.gz YAKFKHUMFKHLKK-IBGZPJMESA-N 2 2 330.476 2.221 20 30 EEEDLP CCOCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859393 1304939639 /nfs/dbraw/zinc/93/96/39/1304939639.db2.gz YAKFKHUMFKHLKK-IBGZPJMESA-N 2 2 330.476 2.221 20 30 EEEDLP CCOCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277859393 1304939644 /nfs/dbraw/zinc/93/96/44/1304939644.db2.gz YAKFKHUMFKHLKK-IBGZPJMESA-N 2 2 330.476 2.221 20 30 EEEDLP N#CCC[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277937090 1305189202 /nfs/dbraw/zinc/18/92/02/1305189202.db2.gz YQDFXELSCVXGQW-AZUAARDMSA-N 2 2 344.503 2.089 20 30 EEEDLP N#CCC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277937090 1305189205 /nfs/dbraw/zinc/18/92/05/1305189205.db2.gz YQDFXELSCVXGQW-AZUAARDMSA-N 2 2 344.503 2.089 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352396 1305201442 /nfs/dbraw/zinc/20/14/42/1305201442.db2.gz AGEAHYCBNLRLTK-SFHVURJKSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352396 1305201446 /nfs/dbraw/zinc/20/14/46/1305201446.db2.gz AGEAHYCBNLRLTK-SFHVURJKSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)C[NH+](C)C1CCC1 ZINC001235392663 1305215779 /nfs/dbraw/zinc/21/57/79/1305215779.db2.gz KJZSMQKZFNKSHL-IBGZPJMESA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)C[NH+](C)C1CCC1 ZINC001235392663 1305215784 /nfs/dbraw/zinc/21/57/84/1305215784.db2.gz KJZSMQKZFNKSHL-IBGZPJMESA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC001235392663 1305215789 /nfs/dbraw/zinc/21/57/89/1305215789.db2.gz KJZSMQKZFNKSHL-IBGZPJMESA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001235392663 1305215793 /nfs/dbraw/zinc/21/57/93/1305215793.db2.gz KJZSMQKZFNKSHL-IBGZPJMESA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001115602841 1305485712 /nfs/dbraw/zinc/48/57/12/1305485712.db2.gz GJGREUROOMPNLO-INIZCTEOSA-N 2 2 330.476 2.430 20 30 EEEDLP N#Cc1ccccc1OC1C[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237179201 1305823569 /nfs/dbraw/zinc/82/35/69/1305823569.db2.gz HMSKDPTXAHTKRM-UHFFFAOYSA-N 2 2 348.450 2.231 20 30 EEEDLP CCCc1cc(C#N)c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc1Cl ZINC001155375656 1317569930 /nfs/dbraw/zinc/56/99/30/1317569930.db2.gz GRKOWAIYIGEHGV-INIZCTEOSA-N 2 2 347.894 2.418 20 30 EEEDLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001253188141 1317791480 /nfs/dbraw/zinc/79/14/80/1317791480.db2.gz QTHAXSFIXMICAS-QGZVFWFLSA-N 2 2 331.460 2.104 20 30 EEEDLP Cc1[nH+]c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)ccc1CC#N ZINC001158589653 1319323600 /nfs/dbraw/zinc/32/36/00/1319323600.db2.gz VVKZMUJHMBPVJQ-UHFFFAOYSA-N 3 2 327.476 2.109 20 30 EEEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163013132 1321013721 /nfs/dbraw/zinc/01/37/21/1321013721.db2.gz HKNBGFRMKKUDLC-UHFFFAOYSA-N 2 2 326.444 2.120 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207015169 1323791992 /nfs/dbraw/zinc/79/19/92/1323791992.db2.gz VGTDLNNDGNIRDQ-NVXWUHKLSA-N 2 2 330.476 2.165 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207015169 1323791995 /nfs/dbraw/zinc/79/19/95/1323791995.db2.gz VGTDLNNDGNIRDQ-NVXWUHKLSA-N 2 2 330.476 2.165 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451132 1324503709 /nfs/dbraw/zinc/50/37/09/1324503709.db2.gz ROQGXJBXGXATLT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451132 1324503712 /nfs/dbraw/zinc/50/37/12/1324503712.db2.gz ROQGXJBXGXATLT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(OC)c2)CC1 ZINC001609051524 1351824409 /nfs/dbraw/zinc/82/44/09/1351824409.db2.gz FAIMRQQFFFTXGL-UHFFFAOYSA-N 2 2 342.447 2.005 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCn1cc[nH+]c1 ZINC001135130927 1368052466 /nfs/dbraw/zinc/05/24/66/1368052466.db2.gz BNQIXXHFEUDMRM-ZIAGYGMSSA-N 2 2 345.472 2.279 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001112439285 1371442940 /nfs/dbraw/zinc/44/29/40/1371442940.db2.gz REUKTNAFYOILTC-UWVAXJGDSA-N 2 2 342.487 2.240 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001371238181 1375315488 /nfs/dbraw/zinc/31/54/88/1375315488.db2.gz DJVRMLIJUQWEPO-SNVBAGLBSA-N 2 2 337.221 2.179 20 30 EEEDLP CC(C)[C@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001391176649 1389098445 /nfs/dbraw/zinc/09/84/45/1389098445.db2.gz UOTAGXKWQIRWDX-LJQANCHMSA-N 2 2 342.487 2.225 20 30 EEEDLP CC(C)[C@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)[NH+](C)C ZINC001391176649 1389098449 /nfs/dbraw/zinc/09/84/49/1389098449.db2.gz UOTAGXKWQIRWDX-LJQANCHMSA-N 2 2 342.487 2.225 20 30 EEEDLP C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001392305194 1389964306 /nfs/dbraw/zinc/96/43/06/1389964306.db2.gz CQUFTNHGHQLPPQ-INIZCTEOSA-N 2 2 339.443 2.296 20 30 EEEDLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001392305194 1389964308 /nfs/dbraw/zinc/96/43/08/1389964308.db2.gz CQUFTNHGHQLPPQ-INIZCTEOSA-N 2 2 339.443 2.296 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001398203860 1391824698 /nfs/dbraw/zinc/82/46/98/1391824698.db2.gz FNNAQDHKWCDBQC-GJZGRUSLSA-N 2 2 338.883 2.464 20 30 EEEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001755075964 1407086760 /nfs/dbraw/zinc/08/67/60/1407086760.db2.gz QFPQCGWWRYEMEV-LJQANCHMSA-N 2 2 327.472 2.201 20 30 EEEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001755075964 1407086765 /nfs/dbraw/zinc/08/67/65/1407086765.db2.gz QFPQCGWWRYEMEV-LJQANCHMSA-N 2 2 327.472 2.201 20 30 EEEDLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)s1 ZINC001731609436 1405874090 /nfs/dbraw/zinc/87/40/90/1405874090.db2.gz WGDBIGUPWIOZGQ-GFCCVEGCSA-N 2 2 339.424 2.176 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCCC1 ZINC001115804037 1411048973 /nfs/dbraw/zinc/04/89/73/1411048973.db2.gz CDMOJYQBYSVLRW-UHFFFAOYSA-N 2 2 339.443 2.476 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104911069 765554656 /nfs/dbraw/zinc/55/46/56/765554656.db2.gz XHLTWNWPLZRJPH-BRWVUGGUSA-N 2 2 332.492 2.392 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420766 768954843 /nfs/dbraw/zinc/95/48/43/768954843.db2.gz OPFUSPJCEVXCGJ-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420766 768954847 /nfs/dbraw/zinc/95/48/47/768954847.db2.gz OPFUSPJCEVXCGJ-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC000980144372 773943326 /nfs/dbraw/zinc/94/33/26/773943326.db2.gz JTEZWACMWXWVDC-OTWHNJEPSA-N 2 2 348.450 2.336 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC000980144372 773943333 /nfs/dbraw/zinc/94/33/33/773943333.db2.gz JTEZWACMWXWVDC-OTWHNJEPSA-N 2 2 348.450 2.336 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027940078 774714265 /nfs/dbraw/zinc/71/42/65/774714265.db2.gz GGCAFRVIFLAUHX-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027940078 774714270 /nfs/dbraw/zinc/71/42/70/774714270.db2.gz GGCAFRVIFLAUHX-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027940078 774714273 /nfs/dbraw/zinc/71/42/73/774714273.db2.gz GGCAFRVIFLAUHX-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027940078 774714275 /nfs/dbraw/zinc/71/42/75/774714275.db2.gz GGCAFRVIFLAUHX-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001027971582 775436234 /nfs/dbraw/zinc/43/62/34/775436234.db2.gz HTHVDMZELVPLIC-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C#N ZINC001027971582 775436242 /nfs/dbraw/zinc/43/62/42/775436242.db2.gz HTHVDMZELVPLIC-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027971582 775436245 /nfs/dbraw/zinc/43/62/45/775436245.db2.gz HTHVDMZELVPLIC-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027971582 775436251 /nfs/dbraw/zinc/43/62/51/775436251.db2.gz HTHVDMZELVPLIC-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000981387795 777281679 /nfs/dbraw/zinc/28/16/79/777281679.db2.gz RWQPEFKFKNTVHK-KRWDZBQOSA-N 2 2 348.516 2.240 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000981387795 777281684 /nfs/dbraw/zinc/28/16/84/777281684.db2.gz RWQPEFKFKNTVHK-KRWDZBQOSA-N 2 2 348.516 2.240 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937364 779234896 /nfs/dbraw/zinc/23/48/96/779234896.db2.gz WHHSPTNIKUVKNB-IXDOHACOSA-N 2 2 332.492 2.392 20 30 EEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236783788 779864363 /nfs/dbraw/zinc/86/43/63/779864363.db2.gz UONBLMDCNUKUKM-QFBILLFUSA-N 2 2 331.460 2.424 20 30 EEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236783788 779864371 /nfs/dbraw/zinc/86/43/71/779864371.db2.gz UONBLMDCNUKUKM-QFBILLFUSA-N 2 2 331.460 2.424 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088857837 790813018 /nfs/dbraw/zinc/81/30/18/790813018.db2.gz GCEGDKPFLNDICP-GGPKGHCWSA-N 2 2 339.483 2.101 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088857837 790813032 /nfs/dbraw/zinc/81/30/32/790813032.db2.gz GCEGDKPFLNDICP-GGPKGHCWSA-N 2 2 339.483 2.101 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088857837 790813047 /nfs/dbraw/zinc/81/30/47/790813047.db2.gz GCEGDKPFLNDICP-GGPKGHCWSA-N 2 2 339.483 2.101 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088857837 790813064 /nfs/dbraw/zinc/81/30/64/790813064.db2.gz GCEGDKPFLNDICP-GGPKGHCWSA-N 2 2 339.483 2.101 20 30 EEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170841325 784224556 /nfs/dbraw/zinc/22/45/56/784224556.db2.gz HFGNZYUPOQWAMU-FGTMMUONSA-N 2 2 342.487 2.052 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035753307 785061917 /nfs/dbraw/zinc/06/19/17/785061917.db2.gz QIGZMFLILMMPGA-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 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325.884 2.336 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992119068 792779385 /nfs/dbraw/zinc/77/93/85/792779385.db2.gz PUALBRSNMKFZFE-ZOBUZTSGSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992119068 792779392 /nfs/dbraw/zinc/77/93/92/792779392.db2.gz PUALBRSNMKFZFE-ZOBUZTSGSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992119068 792779400 /nfs/dbraw/zinc/77/94/00/792779400.db2.gz PUALBRSNMKFZFE-ZOBUZTSGSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343253 795423676 /nfs/dbraw/zinc/42/36/76/795423676.db2.gz WMLCVRTVYLZDQY-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081234047 796703006 /nfs/dbraw/zinc/70/30/06/796703006.db2.gz UDHAAKKSJWSUIA-DLBZAZTESA-N 2 2 344.846 2.220 20 30 EEEDLP 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GGPFJWHRSDHYFQ-GOSISDBHSA-N 2 2 339.524 2.330 20 30 EEEDLP N#Cc1ccccc1C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470545 800443971 /nfs/dbraw/zinc/44/39/71/800443971.db2.gz PVGPYXRVXRVWRY-UHFFFAOYSA-N 2 2 339.443 2.221 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001183528820 801626768 /nfs/dbraw/zinc/62/67/68/801626768.db2.gz YLDVLUIXRDUREM-YVWKXTFCSA-N 2 2 344.503 2.335 20 30 EEEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004445822 802060143 /nfs/dbraw/zinc/06/01/43/802060143.db2.gz IIYXDANEQOYPBH-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004445822 802060147 /nfs/dbraw/zinc/06/01/47/802060147.db2.gz IIYXDANEQOYPBH-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004445822 802060152 /nfs/dbraw/zinc/06/01/52/802060152.db2.gz IIYXDANEQOYPBH-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004445822 802060157 /nfs/dbraw/zinc/06/01/57/802060157.db2.gz IIYXDANEQOYPBH-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473739 802164389 /nfs/dbraw/zinc/16/43/89/802164389.db2.gz LHEKSRGDYQFJOM-QZTJIDSGSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473739 802164394 /nfs/dbraw/zinc/16/43/94/802164394.db2.gz LHEKSRGDYQFJOM-QZTJIDSGSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004549826 802352506 /nfs/dbraw/zinc/35/25/06/802352506.db2.gz BJFGYYGCPLXSNJ-KZNAEPCWSA-N 2 2 342.487 2.413 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004549826 802352516 /nfs/dbraw/zinc/35/25/16/802352516.db2.gz BJFGYYGCPLXSNJ-KZNAEPCWSA-N 2 2 342.487 2.413 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033212549 803275599 /nfs/dbraw/zinc/27/55/99/803275599.db2.gz UYEKXPIXXPTCPU-CVEARBPZSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033212549 803275604 /nfs/dbraw/zinc/27/56/04/803275604.db2.gz UYEKXPIXXPTCPU-CVEARBPZSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033212549 803275607 /nfs/dbraw/zinc/27/56/07/803275607.db2.gz UYEKXPIXXPTCPU-CVEARBPZSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033212549 803275613 /nfs/dbraw/zinc/27/56/13/803275613.db2.gz UYEKXPIXXPTCPU-CVEARBPZSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001444386167 1098972788 /nfs/dbraw/zinc/97/27/88/1098972788.db2.gz YPCTUSVZMYEIGY-AAEUAGOBSA-N 2 2 343.269 2.085 20 30 EEEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159024520 205391781 /nfs/dbraw/zinc/39/17/81/205391781.db2.gz SXGXAHCMHAUQRT-RTBURBONSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159024520 205391785 /nfs/dbraw/zinc/39/17/85/205391785.db2.gz SXGXAHCMHAUQRT-RTBURBONSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159024520 205391789 /nfs/dbraw/zinc/39/17/89/205391789.db2.gz SXGXAHCMHAUQRT-RTBURBONSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159024520 205391790 /nfs/dbraw/zinc/39/17/90/205391790.db2.gz SXGXAHCMHAUQRT-RTBURBONSA-N 2 2 327.472 2.275 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865683 270022676 /nfs/dbraw/zinc/02/26/76/270022676.db2.gz WJNLWZFXHAQYRA-GXTWGEPZSA-N 2 2 341.415 2.318 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000533865683 270022677 /nfs/dbraw/zinc/02/26/77/270022677.db2.gz WJNLWZFXHAQYRA-GXTWGEPZSA-N 2 2 341.415 2.318 20 30 EEEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C#N ZINC000533761296 270022744 /nfs/dbraw/zinc/02/27/44/270022744.db2.gz NTLDQQNWWVUGFE-CRAIPNDOSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C#N ZINC000533761296 270022745 /nfs/dbraw/zinc/02/27/45/270022745.db2.gz NTLDQQNWWVUGFE-CRAIPNDOSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C#N ZINC000533761296 270022746 /nfs/dbraw/zinc/02/27/46/270022746.db2.gz NTLDQQNWWVUGFE-CRAIPNDOSA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000533761296 270022747 /nfs/dbraw/zinc/02/27/47/270022747.db2.gz NTLDQQNWWVUGFE-CRAIPNDOSA-N 2 2 327.428 2.261 20 30 EEEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1OC ZINC000274923156 269075199 /nfs/dbraw/zinc/07/51/99/269075199.db2.gz MSPDVGAKNMKBNL-XUVXKRRUSA-N 2 2 343.471 2.305 20 30 EEEDLP C[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450418452 274364827 /nfs/dbraw/zinc/36/48/27/274364827.db2.gz LYJLMWQWIOGTEY-CQSZACIVSA-N 2 2 343.431 2.071 20 30 EEEDLP C[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450418452 274364830 /nfs/dbraw/zinc/36/48/30/274364830.db2.gz LYJLMWQWIOGTEY-CQSZACIVSA-N 2 2 343.431 2.071 20 30 EEEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000566416679 319284047 /nfs/dbraw/zinc/28/40/47/319284047.db2.gz JGVMSKDSTOMGSE-UHFFFAOYSA-N 2 2 337.471 2.432 20 30 EEEDLP Cn1c[nH+]cc1CCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000566416679 319284049 /nfs/dbraw/zinc/28/40/49/319284049.db2.gz JGVMSKDSTOMGSE-UHFFFAOYSA-N 2 2 337.471 2.432 20 30 EEEDLP Cn1c[nH+]cc1CCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000566416679 319284051 /nfs/dbraw/zinc/28/40/51/319284051.db2.gz JGVMSKDSTOMGSE-UHFFFAOYSA-N 2 2 337.471 2.432 20 30 EEEDLP Cn1c[nH+]cc1CCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000566416679 319284053 /nfs/dbraw/zinc/28/40/53/319284053.db2.gz JGVMSKDSTOMGSE-UHFFFAOYSA-N 2 2 337.471 2.432 20 30 EEEDLP C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000337177223 465230359 /nfs/dbraw/zinc/23/03/59/465230359.db2.gz JHMOVFIWZGARKD-RTBURBONSA-N 2 2 348.535 2.045 20 30 EEEDLP C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000337177223 465230363 /nfs/dbraw/zinc/23/03/63/465230363.db2.gz JHMOVFIWZGARKD-RTBURBONSA-N 2 2 348.535 2.045 20 30 EEEDLP CC(C)CNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000060197295 462540129 /nfs/dbraw/zinc/54/01/29/462540129.db2.gz RUFHMKGNOHOTJY-UHFFFAOYSA-N 2 2 346.475 2.082 20 30 EEEDLP Cn1c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2[nH+]c1C(C)(C)C ZINC000521427464 468313237 /nfs/dbraw/zinc/31/32/37/468313237.db2.gz DODYQSFSKNHFAG-HNNXBMFYSA-N 2 2 343.475 2.489 20 30 EEEDLP Cn1c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2[nH+]c1C(C)(C)C ZINC000521427464 468313244 /nfs/dbraw/zinc/31/32/44/468313244.db2.gz DODYQSFSKNHFAG-HNNXBMFYSA-N 2 2 343.475 2.489 20 30 EEEDLP C=C(C)COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1OC ZINC000065274757 462751562 /nfs/dbraw/zinc/75/15/62/462751562.db2.gz NGNUITUMXAMMEQ-KRWDZBQOSA-N 2 2 334.460 2.196 20 30 EEEDLP C#CC[NH+]1CCC(c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)CC1 ZINC000491325582 468351086 /nfs/dbraw/zinc/35/10/86/468351086.db2.gz DUFSGFQMFMHUEZ-UHFFFAOYSA-N 2 2 335.411 2.429 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966034 463567047 /nfs/dbraw/zinc/56/70/47/463567047.db2.gz KTBLKFGYSHMTRS-ZWKOTPCHSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966034 463567052 /nfs/dbraw/zinc/56/70/52/463567052.db2.gz KTBLKFGYSHMTRS-ZWKOTPCHSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072966034 463567055 /nfs/dbraw/zinc/56/70/55/463567055.db2.gz KTBLKFGYSHMTRS-ZWKOTPCHSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072966034 463567059 /nfs/dbraw/zinc/56/70/59/463567059.db2.gz KTBLKFGYSHMTRS-ZWKOTPCHSA-N 2 2 334.508 2.335 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(N2CCOCC2)[nH+]cn1)C(C)C ZINC000172380321 464067897 /nfs/dbraw/zinc/06/78/97/464067897.db2.gz LEMVCTGRIYPODQ-QGZVFWFLSA-N 2 2 345.491 2.424 20 30 EEEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000264067820 464278012 /nfs/dbraw/zinc/27/80/12/464278012.db2.gz FHELTEQDMOWBGZ-SFHVURJKSA-N 2 2 331.508 2.302 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2cccc(C#N)c2)cc1 ZINC000272955754 464697063 /nfs/dbraw/zinc/69/70/63/464697063.db2.gz YPVCPQKBOALURE-UHFFFAOYSA-N 2 2 338.411 2.336 20 30 EEEDLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000329673949 465403459 /nfs/dbraw/zinc/40/34/59/465403459.db2.gz TULPHQIDOQYZKE-MRXNPFEDSA-N 2 2 331.464 2.410 20 30 EEEDLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000329673949 465403464 /nfs/dbraw/zinc/40/34/64/465403464.db2.gz TULPHQIDOQYZKE-MRXNPFEDSA-N 2 2 331.464 2.410 20 30 EEEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](C2CCCC2)CC1 ZINC000330202806 465566544 /nfs/dbraw/zinc/56/65/44/465566544.db2.gz ZUHUNHSFQVKLRX-HNNXBMFYSA-N 2 2 331.464 2.109 20 30 EEEDLP [O-]C(NC1CC[NH+](C2CCCC2)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202806 465566550 /nfs/dbraw/zinc/56/65/50/465566550.db2.gz ZUHUNHSFQVKLRX-HNNXBMFYSA-N 2 2 331.464 2.109 20 30 EEEDLP CC[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330223885 465574910 /nfs/dbraw/zinc/57/49/10/465574910.db2.gz ANCPYPMJIUHJDE-HNNXBMFYSA-N 2 2 347.507 2.437 20 30 EEEDLP Cc1cnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(O)c1 ZINC000330238460 465582504 /nfs/dbraw/zinc/58/25/04/465582504.db2.gz VFFKUYYJENZMQF-UHFFFAOYSA-N 2 2 346.475 2.351 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341116012 466596175 /nfs/dbraw/zinc/59/61/75/466596175.db2.gz DDSJUDZWAODFKJ-QAPCUYQASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341116012 466596180 /nfs/dbraw/zinc/59/61/80/466596180.db2.gz DDSJUDZWAODFKJ-QAPCUYQASA-N 2 2 330.451 2.155 20 30 EEEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000549764384 468196094 /nfs/dbraw/zinc/19/60/94/468196094.db2.gz QIMNEGJKSYRLQL-UHFFFAOYSA-N 2 2 345.410 2.439 20 30 EEEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000594441036 468589607 /nfs/dbraw/zinc/58/96/07/468589607.db2.gz LKNFDKWZJQMIOL-INIZCTEOSA-N 2 2 329.448 2.099 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509977 468882531 /nfs/dbraw/zinc/88/25/31/468882531.db2.gz IHBCIITXQPJELH-INIZCTEOSA-N 2 2 328.460 2.001 20 30 EEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000657453005 471142177 /nfs/dbraw/zinc/14/21/77/471142177.db2.gz NBYSDYQSWWTMGV-SFHVURJKSA-N 2 2 325.460 2.466 20 30 EEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000657453005 471142181 /nfs/dbraw/zinc/14/21/81/471142181.db2.gz NBYSDYQSWWTMGV-SFHVURJKSA-N 2 2 325.460 2.466 20 30 EEEDLP C=CC[NH+]1CCC(Nc2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000663568969 471431313 /nfs/dbraw/zinc/43/13/13/471431313.db2.gz BZHCWKAREXGLFD-UHFFFAOYSA-N 2 2 329.452 2.226 20 30 EEEDLP CC[NH+]=C(NCCc1nccs1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160082208 528808078 /nfs/dbraw/zinc/80/80/78/528808078.db2.gz ICTLLFPKDNBVOV-HUUCEWRRSA-N 2 2 346.504 2.431 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969911377 675301032 /nfs/dbraw/zinc/30/10/32/675301032.db2.gz SOTTYPSOEAMYLH-SJORKVTESA-N 2 2 349.438 2.092 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023555016 679375552 /nfs/dbraw/zinc/37/55/52/679375552.db2.gz TUYRVQQWHJOEDD-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023555016 679375553 /nfs/dbraw/zinc/37/55/53/679375553.db2.gz 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C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050141403 1242967631 /nfs/dbraw/zinc/96/76/31/1242967631.db2.gz SYFSQLIWBDFOHC-VNQPRFMTSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050141403 1242967637 /nfs/dbraw/zinc/96/76/37/1242967637.db2.gz SYFSQLIWBDFOHC-VNQPRFMTSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050141403 1242967643 /nfs/dbraw/zinc/96/76/43/1242967643.db2.gz SYFSQLIWBDFOHC-VNQPRFMTSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001097373982 1244066076 /nfs/dbraw/zinc/06/60/76/1244066076.db2.gz ZYEQBAHLQFUGJL-HZMVEIRTSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001097373982 1244066085 /nfs/dbraw/zinc/06/60/85/1244066085.db2.gz ZYEQBAHLQFUGJL-HZMVEIRTSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024291 1245698302 /nfs/dbraw/zinc/69/83/02/1245698302.db2.gz OLOQWLVDTCZNQT-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024291 1245698309 /nfs/dbraw/zinc/69/83/09/1245698309.db2.gz OLOQWLVDTCZNQT-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092676 1245882695 /nfs/dbraw/zinc/88/26/95/1245882695.db2.gz IOXYPIJPWWLHKA-RBUKOAKNSA-N 2 2 342.487 2.390 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092676 1245882704 /nfs/dbraw/zinc/88/27/04/1245882704.db2.gz IOXYPIJPWWLHKA-RBUKOAKNSA-N 2 2 342.487 2.390 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001052398252 1247189015 /nfs/dbraw/zinc/18/90/15/1247189015.db2.gz OTASXVCOGLEUCX-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001052398252 1247189024 /nfs/dbraw/zinc/18/90/24/1247189024.db2.gz OTASXVCOGLEUCX-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)CC1 ZINC001052398252 1247189027 /nfs/dbraw/zinc/18/90/27/1247189027.db2.gz OTASXVCOGLEUCX-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)CC1 ZINC001052398252 1247189033 /nfs/dbraw/zinc/18/90/33/1247189033.db2.gz OTASXVCOGLEUCX-CRAIPNDOSA-N 2 2 345.491 2.337 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599187 1247644841 /nfs/dbraw/zinc/64/48/41/1247644841.db2.gz SWCXUKCHTXQBOA-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599187 1247644845 /nfs/dbraw/zinc/64/48/45/1247644845.db2.gz SWCXUKCHTXQBOA-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205708 1247713074 /nfs/dbraw/zinc/71/30/74/1247713074.db2.gz WABZBPDQVQWIQX-HKUYNNGSSA-N 2 2 328.460 2.172 20 30 EEEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205708 1247713076 /nfs/dbraw/zinc/71/30/76/1247713076.db2.gz WABZBPDQVQWIQX-HKUYNNGSSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001054221995 1247759393 /nfs/dbraw/zinc/75/93/93/1247759393.db2.gz PGAWTOBHLQQTDI-OAQYLSRUSA-N 2 2 348.450 2.434 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001054221995 1247759401 /nfs/dbraw/zinc/75/94/01/1247759401.db2.gz PGAWTOBHLQQTDI-OAQYLSRUSA-N 2 2 348.450 2.434 20 30 EEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547448 1254318574 /nfs/dbraw/zinc/31/85/74/1254318574.db2.gz UQKPFDWVNVDJOM-GDBMZVCRSA-N 2 2 333.501 2.416 20 30 EEEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547448 1254318585 /nfs/dbraw/zinc/31/85/85/1254318585.db2.gz UQKPFDWVNVDJOM-GDBMZVCRSA-N 2 2 333.501 2.416 20 30 EEEDLP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC#Cc1ccccc1 ZINC001072081036 1254917702 /nfs/dbraw/zinc/91/77/02/1254917702.db2.gz FXIWBZQYUMAECE-ICSRJNTNSA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC#Cc1ccccc1 ZINC001072081036 1254917708 /nfs/dbraw/zinc/91/77/08/1254917708.db2.gz FXIWBZQYUMAECE-ICSRJNTNSA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001072080945 1254919765 /nfs/dbraw/zinc/91/97/65/1254919765.db2.gz DPFBLESJESSEKP-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001072080945 1254919769 /nfs/dbraw/zinc/91/97/69/1254919769.db2.gz DPFBLESJESSEKP-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001192631439 1282091640 /nfs/dbraw/zinc/09/16/40/1282091640.db2.gz DATACVDGTPWUBV-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001192631439 1282091642 /nfs/dbraw/zinc/09/16/42/1282091642.db2.gz DATACVDGTPWUBV-GOSISDBHSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCCC[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1OC ZINC001198945577 1285464491 /nfs/dbraw/zinc/46/44/91/1285464491.db2.gz NHSWIZDXLPFEPV-INIZCTEOSA-N 2 2 342.443 2.374 20 30 EEEDLP C#CCCOC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000859078540 1294311081 /nfs/dbraw/zinc/31/10/81/1294311081.db2.gz BJRXVOHZHDDGAR-ROUUACIJSA-N 2 2 335.492 2.415 20 30 EEEDLP C#CCCOC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000859078540 1294311087 /nfs/dbraw/zinc/31/10/87/1294311087.db2.gz BJRXVOHZHDDGAR-ROUUACIJSA-N 2 2 335.492 2.415 20 30 EEEDLP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222124941 1299368499 /nfs/dbraw/zinc/36/84/99/1299368499.db2.gz ANZCNUCKRBBBJX-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222124941 1299368510 /nfs/dbraw/zinc/36/85/10/1299368510.db2.gz ANZCNUCKRBBBJX-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001101552911 1299686169 /nfs/dbraw/zinc/68/61/69/1299686169.db2.gz UARYURWNXYHYGX-INIZCTEOSA-N 2 2 344.503 2.486 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222936773 1299925756 /nfs/dbraw/zinc/92/57/56/1299925756.db2.gz PEZDHUGKOGKZKO-QRVBRYPASA-N 2 2 342.487 2.416 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222936773 1299925760 /nfs/dbraw/zinc/92/57/60/1299925760.db2.gz PEZDHUGKOGKZKO-QRVBRYPASA-N 2 2 342.487 2.416 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013598 1299953039 /nfs/dbraw/zinc/95/30/39/1299953039.db2.gz OZBRJKXOPPGLIP-AOIWGVFYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001223013598 1299953042 /nfs/dbraw/zinc/95/30/42/1299953042.db2.gz OZBRJKXOPPGLIP-AOIWGVFYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCOCC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001227373040 1301802135 /nfs/dbraw/zinc/80/21/35/1301802135.db2.gz URGYLUVBCAWTKF-UHFFFAOYSA-N 2 2 342.443 2.040 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001228075094 1302088676 /nfs/dbraw/zinc/08/86/76/1302088676.db2.gz NOQHHWBIBOOIGZ-HOTGVXAUSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792654 1303893988 /nfs/dbraw/zinc/89/39/88/1303893988.db2.gz JAHKSCCOYXUUHH-ZWOKBUDYSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792654 1303893992 /nfs/dbraw/zinc/89/39/92/1303893992.db2.gz JAHKSCCOYXUUHH-ZWOKBUDYSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663563 1316335394 /nfs/dbraw/zinc/33/53/94/1316335394.db2.gz LSWRZTRPUSKKRF-QGZVFWFLSA-N 2 2 348.491 2.214 20 30 EEEDLP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663563 1316335398 /nfs/dbraw/zinc/33/53/98/1316335398.db2.gz LSWRZTRPUSKKRF-QGZVFWFLSA-N 2 2 348.491 2.214 20 30 EEEDLP C=CCC[C@H](O)C[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001252616753 1317646727 /nfs/dbraw/zinc/64/67/27/1317646727.db2.gz SWIOHENEXVOHPT-AWEZNQCLSA-N 2 2 329.535 2.355 20 30 EEEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001157915537 1318929062 /nfs/dbraw/zinc/92/90/62/1318929062.db2.gz ADLCIFQBRCBCAL-UHFFFAOYSA-N 2 2 328.807 2.354 20 30 EEEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001157981351 1318958485 /nfs/dbraw/zinc/95/84/85/1318958485.db2.gz GUYNGKHHTUFNCC-GOSISDBHSA-N 2 2 342.487 2.098 20 30 EEEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001157981351 1318958489 /nfs/dbraw/zinc/95/84/89/1318958489.db2.gz GUYNGKHHTUFNCC-GOSISDBHSA-N 2 2 342.487 2.098 20 30 EEEDLP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001162790308 1320958977 /nfs/dbraw/zinc/95/89/77/1320958977.db2.gz GEWYNHCFOBPEOX-UHFFFAOYSA-N 2 2 338.455 2.027 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001164596338 1321428916 /nfs/dbraw/zinc/42/89/16/1321428916.db2.gz FBMKWGWALMXCOE-QGZVFWFLSA-N 2 2 345.491 2.242 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001164596338 1321428917 /nfs/dbraw/zinc/42/89/17/1321428917.db2.gz FBMKWGWALMXCOE-QGZVFWFLSA-N 2 2 345.491 2.242 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165848985 1321597545 /nfs/dbraw/zinc/59/75/45/1321597545.db2.gz NVQAJKUMKPBSDS-CQSZACIVSA-N 2 2 336.867 2.074 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001339775403 1337071277 /nfs/dbraw/zinc/07/12/77/1337071277.db2.gz WCQYLWLFLULRIS-MRXNPFEDSA-N 2 2 332.496 2.009 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001339775403 1337071280 /nfs/dbraw/zinc/07/12/80/1337071280.db2.gz WCQYLWLFLULRIS-MRXNPFEDSA-N 2 2 332.496 2.009 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)CC[NH+]1CCCCC1 ZINC001340492798 1337195575 /nfs/dbraw/zinc/19/55/75/1337195575.db2.gz ZSLFOOKNZZIGEN-MRXNPFEDSA-N 2 2 332.496 2.153 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)CC[NH+]1CCCCC1 ZINC001340492798 1337195578 /nfs/dbraw/zinc/19/55/78/1337195578.db2.gz ZSLFOOKNZZIGEN-MRXNPFEDSA-N 2 2 332.496 2.153 20 30 EEEDLP C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341451214 1337292014 /nfs/dbraw/zinc/29/20/14/1337292014.db2.gz APSCJUBHZPQTLW-FUHWJXTLSA-N 2 2 334.508 2.295 20 30 EEEDLP C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341451214 1337292016 /nfs/dbraw/zinc/29/20/16/1337292016.db2.gz APSCJUBHZPQTLW-FUHWJXTLSA-N 2 2 334.508 2.295 20 30 EEEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC001341613190 1337295389 /nfs/dbraw/zinc/29/53/89/1337295389.db2.gz FMTZMZANRXJNKX-QGZVFWFLSA-N 2 2 331.460 2.449 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)C2=O)cc1 ZINC001580067210 1344462238 /nfs/dbraw/zinc/46/22/38/1344462238.db2.gz KPDGEHRAXQBGGO-WDSOQIARSA-N 2 2 338.455 2.128 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)C2=O)cc1 ZINC001580067210 1344462240 /nfs/dbraw/zinc/46/22/40/1344462240.db2.gz KPDGEHRAXQBGGO-WDSOQIARSA-N 2 2 338.455 2.128 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=C)Cl)C2)CC1 ZINC001072098566 1370606664 /nfs/dbraw/zinc/60/66/64/1370606664.db2.gz CANNWJYQQZBINJ-WBVHZDCISA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)Cl)C2)CC1 ZINC001072098566 1370606674 /nfs/dbraw/zinc/60/66/74/1370606674.db2.gz CANNWJYQQZBINJ-WBVHZDCISA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=C)Cl)C2)CC1 ZINC001072098563 1370607711 /nfs/dbraw/zinc/60/77/11/1370607711.db2.gz CANNWJYQQZBINJ-DOTOQJQBSA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=C)Cl)C2)CC1 ZINC001072098563 1370607715 /nfs/dbraw/zinc/60/77/15/1370607715.db2.gz CANNWJYQQZBINJ-DOTOQJQBSA-N 2 2 337.895 2.053 20 30 EEEDLP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001366662869 1373994977 /nfs/dbraw/zinc/99/49/77/1373994977.db2.gz FBULQMQQTRWJNG-AEFFLSMTSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001366662869 1373994980 /nfs/dbraw/zinc/99/49/80/1373994980.db2.gz FBULQMQQTRWJNG-AEFFLSMTSA-N 2 2 346.450 2.118 20 30 EEEDLP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001378075370 1379686094 /nfs/dbraw/zinc/68/60/94/1379686094.db2.gz YFCODLXLVGBHSV-SFHVURJKSA-N 2 2 342.487 2.227 20 30 EEEDLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001378075370 1379686098 /nfs/dbraw/zinc/68/60/98/1379686098.db2.gz YFCODLXLVGBHSV-SFHVURJKSA-N 2 2 342.487 2.227 20 30 EEEDLP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001378075370 1379686103 /nfs/dbraw/zinc/68/61/03/1379686103.db2.gz YFCODLXLVGBHSV-SFHVURJKSA-N 2 2 342.487 2.227 20 30 EEEDLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001378075370 1379686110 /nfs/dbraw/zinc/68/61/10/1379686110.db2.gz YFCODLXLVGBHSV-SFHVURJKSA-N 2 2 342.487 2.227 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001754920722 1406997363 /nfs/dbraw/zinc/99/73/63/1406997363.db2.gz HIMYUJDRPUGADC-HUUCEWRRSA-N 2 2 336.867 2.026 20 30 EEEDLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccccc1C#N ZINC001422566338 1400027798 /nfs/dbraw/zinc/02/77/98/1400027798.db2.gz BJWIVYRQKQAZAF-QGZVFWFLSA-N 2 2 342.487 2.227 20 30 EEEDLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1C#N ZINC001422566338 1400027806 /nfs/dbraw/zinc/02/78/06/1400027806.db2.gz BJWIVYRQKQAZAF-QGZVFWFLSA-N 2 2 342.487 2.227 20 30 EEEDLP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001755130527 1407139517 /nfs/dbraw/zinc/13/95/17/1407139517.db2.gz JAZFAEBDZUMOGY-INIZCTEOSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001425922645 1401802944 /nfs/dbraw/zinc/80/29/44/1401802944.db2.gz FBSLPEMQUATVNW-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001425922645 1401802948 /nfs/dbraw/zinc/80/29/48/1401802948.db2.gz FBSLPEMQUATVNW-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001574851171 1403526393 /nfs/dbraw/zinc/52/63/93/1403526393.db2.gz AVSPBWUFVYZWTA-GJZGRUSLSA-N 2 2 332.835 2.290 20 30 EEEDLP C=CC[NH2+]CC1(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001167455812 759608674 /nfs/dbraw/zinc/60/86/74/759608674.db2.gz COLWGIGLFLDHSN-UHFFFAOYSA-N 2 2 326.444 2.247 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367560 759826947 /nfs/dbraw/zinc/82/69/47/759826947.db2.gz YPNDQHALYZDTLX-ZACQAIPSSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442590 761380797 /nfs/dbraw/zinc/38/07/97/761380797.db2.gz SBEDFTBDHINZSB-HZPDHXFCSA-N 2 2 325.884 2.051 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442590 761380806 /nfs/dbraw/zinc/38/08/06/761380806.db2.gz SBEDFTBDHINZSB-HZPDHXFCSA-N 2 2 325.884 2.051 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]cn1C ZINC001087312874 761590830 /nfs/dbraw/zinc/59/08/30/761590830.db2.gz LNAFDCYHVISUBK-BPQIPLTHSA-N 2 2 330.476 2.144 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]cn1C ZINC001087312874 761590837 /nfs/dbraw/zinc/59/08/37/761590837.db2.gz LNAFDCYHVISUBK-BPQIPLTHSA-N 2 2 330.476 2.144 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1 ZINC001087319973 761620665 /nfs/dbraw/zinc/62/06/65/761620665.db2.gz XBXLCCKFRUTTHE-VNQPRFMTSA-N 2 2 336.867 2.241 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1 ZINC001087319973 761620668 /nfs/dbraw/zinc/62/06/68/761620668.db2.gz XBXLCCKFRUTTHE-VNQPRFMTSA-N 2 2 336.867 2.241 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1 ZINC001087321086 761622485 /nfs/dbraw/zinc/62/24/85/761622485.db2.gz OREAZUXQLHTQSC-BPQIPLTHSA-N 2 2 330.476 2.455 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1 ZINC001087321086 761622491 /nfs/dbraw/zinc/62/24/91/761622491.db2.gz OREAZUXQLHTQSC-BPQIPLTHSA-N 2 2 330.476 2.455 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089658931 774056600 /nfs/dbraw/zinc/05/66/00/774056600.db2.gz PSZYJFRWIRZSDD-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089658931 774056608 /nfs/dbraw/zinc/05/66/08/774056608.db2.gz PSZYJFRWIRZSDD-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000981354733 777241856 /nfs/dbraw/zinc/24/18/56/777241856.db2.gz SGHHBJHIAHWJMA-SJORKVTESA-N 2 2 337.427 2.041 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981437405 777408907 /nfs/dbraw/zinc/40/89/07/777408907.db2.gz SKQUCGZXTCUECR-CABCVRRESA-N 2 2 325.416 2.084 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028094382 777428591 /nfs/dbraw/zinc/42/85/91/777428591.db2.gz YOFZESXMOVVJOU-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028094382 777428597 /nfs/dbraw/zinc/42/85/97/777428597.db2.gz YOFZESXMOVVJOU-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028094382 777428602 /nfs/dbraw/zinc/42/86/02/777428602.db2.gz YOFZESXMOVVJOU-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028094382 777428606 /nfs/dbraw/zinc/42/86/06/777428606.db2.gz YOFZESXMOVVJOU-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851057 778380406 /nfs/dbraw/zinc/38/04/06/778380406.db2.gz BTVPENKELBKYMR-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851057 778380411 /nfs/dbraw/zinc/38/04/11/778380411.db2.gz BTVPENKELBKYMR-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001088337939 783557766 /nfs/dbraw/zinc/55/77/66/783557766.db2.gz RDEAUOSQPDPKNG-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135576083 784025006 /nfs/dbraw/zinc/02/50/06/784025006.db2.gz QHDATARZFMRUDD-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001136030851 785011323 /nfs/dbraw/zinc/01/13/23/785011323.db2.gz CVMRZGHGYNARNO-KGLIPLIRSA-N 2 2 339.443 2.205 20 30 EEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000817918207 785070393 /nfs/dbraw/zinc/07/03/93/785070393.db2.gz JXSHLEWAZWTNPB-NZSAHSFTSA-N 2 2 329.444 2.224 20 30 EEEDLP C=C[C@H]1C[C@@]1(Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCC ZINC001170928411 785564077 /nfs/dbraw/zinc/56/40/77/785564077.db2.gz PQGWDCOHOFUUAN-FCEWJHQRSA-N 2 2 329.444 2.139 20 30 EEEDLP C=C[C@H]1C[C@@]1(Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCC ZINC001170928411 785564080 /nfs/dbraw/zinc/56/40/80/785564080.db2.gz PQGWDCOHOFUUAN-FCEWJHQRSA-N 2 2 329.444 2.139 20 30 EEEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000997244572 789499678 /nfs/dbraw/zinc/49/96/78/789499678.db2.gz PBFASDVNLNKQSX-MRXNPFEDSA-N 2 2 336.439 2.336 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000997371961 789901328 /nfs/dbraw/zinc/90/13/28/789901328.db2.gz DDCZSKSCZQMJOS-OAHLLOKOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086952478 793087916 /nfs/dbraw/zinc/08/79/16/793087916.db2.gz JUWGCYANWLQIPS-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093382249 795123146 /nfs/dbraw/zinc/12/31/46/795123146.db2.gz ZXHRJRAJLNSNKK-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093382249 795123149 /nfs/dbraw/zinc/12/31/49/795123149.db2.gz ZXHRJRAJLNSNKK-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860739 795546839 /nfs/dbraw/zinc/54/68/39/795546839.db2.gz NNRWLSNNNXOAKW-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036860739 795546843 /nfs/dbraw/zinc/54/68/43/795546843.db2.gz NNRWLSNNNXOAKW-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP CCN1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC001172023391 796849356 /nfs/dbraw/zinc/84/93/56/796849356.db2.gz NVVJWFQXRLXKPV-IBGZPJMESA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H](CCCC#N)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001172498551 797009715 /nfs/dbraw/zinc/00/97/15/797009715.db2.gz MHZJXXOYSCCKKP-MRXNPFEDSA-N 2 2 330.480 2.204 20 30 EEEDLP C[C@H](CCCC#N)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001172498551 797009720 /nfs/dbraw/zinc/00/97/20/797009720.db2.gz MHZJXXOYSCCKKP-MRXNPFEDSA-N 2 2 330.480 2.204 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994408011 797959672 /nfs/dbraw/zinc/95/96/72/797959672.db2.gz MKQZSYVXWJKNES-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994408011 797959674 /nfs/dbraw/zinc/95/96/74/797959674.db2.gz MKQZSYVXWJKNES-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357072 798164794 /nfs/dbraw/zinc/16/47/94/798164794.db2.gz GGYRMXYMKWQRHN-QKPAOTATSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357072 798164798 /nfs/dbraw/zinc/16/47/98/798164798.db2.gz GGYRMXYMKWQRHN-QKPAOTATSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357072 798164801 /nfs/dbraw/zinc/16/48/01/798164801.db2.gz GGYRMXYMKWQRHN-QKPAOTATSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357072 798164803 /nfs/dbraw/zinc/16/48/03/798164803.db2.gz GGYRMXYMKWQRHN-QKPAOTATSA-N 2 2 325.884 2.002 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC001031435026 798402793 /nfs/dbraw/zinc/40/27/93/798402793.db2.gz NLCJDUYXQWHADJ-QGZVFWFLSA-N 2 2 339.483 2.202 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001176828562 798589436 /nfs/dbraw/zinc/58/94/36/798589436.db2.gz COHNCQCEQFFJRD-AWEZNQCLSA-N 2 2 345.472 2.281 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085028967 798621583 /nfs/dbraw/zinc/62/15/83/798621583.db2.gz BMTJYVFUYFDKJC-VYDXJSESSA-N 2 2 328.460 2.329 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085028967 798621588 /nfs/dbraw/zinc/62/15/88/798621588.db2.gz BMTJYVFUYFDKJC-VYDXJSESSA-N 2 2 328.460 2.329 20 30 EEEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001002849472 798715130 /nfs/dbraw/zinc/71/51/30/798715130.db2.gz UBLBRAUSLTWRJA-SJLPKXTDSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001179134934 799794246 /nfs/dbraw/zinc/79/42/46/799794246.db2.gz XLFYEVHPNIGPKT-SFHVURJKSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001179134934 799794248 /nfs/dbraw/zinc/79/42/48/799794248.db2.gz XLFYEVHPNIGPKT-SFHVURJKSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC001179714805 800066795 /nfs/dbraw/zinc/06/67/95/800066795.db2.gz MIBMGVIKAAVPIL-RDJZCZTQSA-N 2 2 326.444 2.340 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004580319 802414131 /nfs/dbraw/zinc/41/41/31/802414131.db2.gz QYBWAJYKBGZJKA-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004580319 802414134 /nfs/dbraw/zinc/41/41/34/802414134.db2.gz QYBWAJYKBGZJKA-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004580319 802414141 /nfs/dbraw/zinc/41/41/41/802414141.db2.gz QYBWAJYKBGZJKA-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004580319 802414142 /nfs/dbraw/zinc/41/41/42/802414142.db2.gz QYBWAJYKBGZJKA-VQIMIIECSA-N 2 2 342.487 2.315 20 30 EEEDLP C=CC(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)=[NH+]COC ZINC001169510716 803802574 /nfs/dbraw/zinc/80/25/74/803802574.db2.gz GOSYVQOQYDOCRU-FUHWJXTLSA-N 2 2 345.443 2.224 20 30 EEEDLP C=CCCC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001113355676 808795106 /nfs/dbraw/zinc/79/51/06/808795106.db2.gz IKSUVSJFUSZDTK-UHFFFAOYSA-N 2 2 329.488 2.271 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086619687 810637924 /nfs/dbraw/zinc/63/79/24/810637924.db2.gz CHGVTYLCEVWZQG-RBUKOAKNSA-N 2 2 338.455 2.123 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086619687 810637929 /nfs/dbraw/zinc/63/79/29/810637929.db2.gz CHGVTYLCEVWZQG-RBUKOAKNSA-N 2 2 338.455 2.123 20 30 EEEDLP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001440270473 1093382693 /nfs/dbraw/zinc/38/26/93/1093382693.db2.gz WGUZUHPYQAKFPK-HNNXBMFYSA-N 2 2 348.516 2.384 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001440270473 1093382700 /nfs/dbraw/zinc/38/27/00/1093382700.db2.gz WGUZUHPYQAKFPK-HNNXBMFYSA-N 2 2 348.516 2.384 20 30 EEEDLP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001440270473 1093382709 /nfs/dbraw/zinc/38/27/09/1093382709.db2.gz WGUZUHPYQAKFPK-HNNXBMFYSA-N 2 2 348.516 2.384 20 30 EEEDLP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001440270473 1093382718 /nfs/dbraw/zinc/38/27/18/1093382718.db2.gz WGUZUHPYQAKFPK-HNNXBMFYSA-N 2 2 348.516 2.384 20 30 EEEDLP N#Cc1cccc(CC[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000566125544 319248579 /nfs/dbraw/zinc/24/85/79/319248579.db2.gz TXAPFIRUWKCDJZ-OAQYLSRUSA-N 2 2 335.451 2.110 20 30 EEEDLP N#Cc1cccc(CC[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000566125544 319248581 /nfs/dbraw/zinc/24/85/81/319248581.db2.gz TXAPFIRUWKCDJZ-OAQYLSRUSA-N 2 2 335.451 2.110 20 30 EEEDLP Cc1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nnn1C(C)C ZINC000328747036 465117464 /nfs/dbraw/zinc/11/74/64/465117464.db2.gz AUZYFQCOMLIAEH-UHFFFAOYSA-N 2 2 348.495 2.031 20 30 EEEDLP C[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328748307 465117859 /nfs/dbraw/zinc/11/78/59/465117859.db2.gz BFPDDXPUJJWJJP-BZUAXINKSA-N 2 2 333.480 2.244 20 30 EEEDLP C[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000328748307 465117864 /nfs/dbraw/zinc/11/78/64/465117864.db2.gz BFPDDXPUJJWJJP-BZUAXINKSA-N 2 2 333.480 2.244 20 30 EEEDLP C[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000328783952 465127929 /nfs/dbraw/zinc/12/79/29/465127929.db2.gz GPCXREDYMBOISV-HZPDHXFCSA-N 2 2 333.480 2.244 20 30 EEEDLP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000329051543 465217389 /nfs/dbraw/zinc/21/73/89/465217389.db2.gz HFHUYRDHTHXASQ-HNNXBMFYSA-N 2 2 331.464 2.235 20 30 EEEDLP Cc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361234 462698011 /nfs/dbraw/zinc/69/80/11/462698011.db2.gz YPYUDALXXUBZPI-UHFFFAOYSA-N 2 2 327.432 2.039 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156403011 463019214 /nfs/dbraw/zinc/01/92/14/463019214.db2.gz VEELVFMALQKKHX-KDOFPFPSSA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156403011 463019220 /nfs/dbraw/zinc/01/92/20/463019220.db2.gz VEELVFMALQKKHX-KDOFPFPSSA-N 2 2 336.395 2.434 20 30 EEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000123812333 463370781 /nfs/dbraw/zinc/37/07/81/463370781.db2.gz DHIDDWDAMZAVRF-MRXNPFEDSA-N 2 2 343.475 2.017 20 30 EEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCSC(C)(C)C1 ZINC000125692696 463569601 /nfs/dbraw/zinc/56/96/01/463569601.db2.gz IXHBZHPHDRWBQW-UHFFFAOYSA-N 2 2 344.488 2.170 20 30 EEEDLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152386130 463683256 /nfs/dbraw/zinc/68/32/56/463683256.db2.gz NDVWLNJATVKTQW-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152386130 463683260 /nfs/dbraw/zinc/68/32/60/463683260.db2.gz NDVWLNJATVKTQW-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152386130 463683264 /nfs/dbraw/zinc/68/32/64/463683264.db2.gz NDVWLNJATVKTQW-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152386130 463683267 /nfs/dbraw/zinc/68/32/67/463683267.db2.gz NDVWLNJATVKTQW-CYBMUJFWSA-N 2 2 334.851 2.424 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000170905672 463738690 /nfs/dbraw/zinc/73/86/90/463738690.db2.gz ZUVFIYRBLYLSNG-KRWDZBQOSA-N 2 2 326.444 2.402 20 30 EEEDLP N#CCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000542883392 468389815 /nfs/dbraw/zinc/38/98/15/468389815.db2.gz KHKRERFCJKTZRP-UHFFFAOYSA-N 2 2 346.500 2.018 20 30 EEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068178 464279642 /nfs/dbraw/zinc/27/96/42/464279642.db2.gz BZVPPYSDEMCPJI-JKSUJKDBSA-N 3 2 335.496 2.051 20 30 EEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068178 464279645 /nfs/dbraw/zinc/27/96/45/464279645.db2.gz BZVPPYSDEMCPJI-JKSUJKDBSA-N 3 2 335.496 2.051 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000294544648 464531280 /nfs/dbraw/zinc/53/12/80/464531280.db2.gz AUNPVZGNWPFQFL-ZDUSSCGKSA-N 2 2 344.427 2.289 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000294544648 464531287 /nfs/dbraw/zinc/53/12/87/464531287.db2.gz AUNPVZGNWPFQFL-ZDUSSCGKSA-N 2 2 344.427 2.289 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272348262 464574348 /nfs/dbraw/zinc/57/43/48/464574348.db2.gz QLMDBHRJRMPOCA-UHFFFAOYSA-N 2 2 325.416 2.038 20 30 EEEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1 ZINC000285520406 464595367 /nfs/dbraw/zinc/59/53/67/464595367.db2.gz BEBPTLCLKWDHKW-KRWDZBQOSA-N 2 2 342.487 2.085 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247881265 464712579 /nfs/dbraw/zinc/71/25/79/464712579.db2.gz BTSCCQZWHURWGO-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247881265 464712581 /nfs/dbraw/zinc/71/25/81/464712581.db2.gz BTSCCQZWHURWGO-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247881265 464712585 /nfs/dbraw/zinc/71/25/85/464712585.db2.gz BTSCCQZWHURWGO-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247881265 464712588 /nfs/dbraw/zinc/71/25/88/464712588.db2.gz BTSCCQZWHURWGO-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP C=CCOc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000352693068 465548902 /nfs/dbraw/zinc/54/89/02/465548902.db2.gz JFUSHOXZZWBEKA-MRXNPFEDSA-N 2 2 335.879 2.384 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000344512051 465629662 /nfs/dbraw/zinc/62/96/62/465629662.db2.gz JYNKFKVHAUKISX-FQEVSTJZSA-N 2 2 339.414 2.424 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000344512051 465629669 /nfs/dbraw/zinc/62/96/69/465629669.db2.gz JYNKFKVHAUKISX-FQEVSTJZSA-N 2 2 339.414 2.424 20 30 EEEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353406879 465862091 /nfs/dbraw/zinc/86/20/91/465862091.db2.gz BDHGFBNFBWYDOF-OALUTQOASA-N 2 2 340.471 2.078 20 30 EEEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353406879 465862097 /nfs/dbraw/zinc/86/20/97/465862097.db2.gz BDHGFBNFBWYDOF-OALUTQOASA-N 2 2 340.471 2.078 20 30 EEEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353406881 465862623 /nfs/dbraw/zinc/86/26/23/465862623.db2.gz BDHGFBNFBWYDOF-RBUKOAKNSA-N 2 2 340.471 2.078 20 30 EEEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353406881 465862631 /nfs/dbraw/zinc/86/26/31/465862631.db2.gz BDHGFBNFBWYDOF-RBUKOAKNSA-N 2 2 340.471 2.078 20 30 EEEDLP N#Cc1ccc(N2CCC([NH2+]Cc3cccc4[nH+]ccn43)CC2)nc1 ZINC000367479232 466368178 /nfs/dbraw/zinc/36/81/78/466368178.db2.gz SUMOMMYAXZSXHU-UHFFFAOYSA-N 2 2 332.411 2.360 20 30 EEEDLP C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149828 466778406 /nfs/dbraw/zinc/77/84/06/466778406.db2.gz PXQKWTZWJCSUDP-FXAWDEMLSA-N 2 2 329.463 2.135 20 30 EEEDLP C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149828 466778407 /nfs/dbraw/zinc/77/84/07/466778407.db2.gz PXQKWTZWJCSUDP-FXAWDEMLSA-N 2 2 329.463 2.135 20 30 EEEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)C1=O ZINC000452119563 467330866 /nfs/dbraw/zinc/33/08/66/467330866.db2.gz QKBATEUVSGVIMS-AWEZNQCLSA-N 2 2 333.398 2.122 20 30 EEEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)C1=O ZINC000452119563 467330869 /nfs/dbraw/zinc/33/08/69/467330869.db2.gz QKBATEUVSGVIMS-AWEZNQCLSA-N 2 2 333.398 2.122 20 30 EEEDLP CO[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449463722 467649147 /nfs/dbraw/zinc/64/91/47/467649147.db2.gz XKHLDICMRQWVAO-AZUAARDMSA-N 2 2 343.471 2.164 20 30 EEEDLP C=CC[N@H+](CCc1ccco1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497134367 467851098 /nfs/dbraw/zinc/85/10/98/467851098.db2.gz RAQXXUARNPKWLL-LJQANCHMSA-N 2 2 345.443 2.184 20 30 EEEDLP C=CC[N@@H+](CCc1ccco1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497134367 467851100 /nfs/dbraw/zinc/85/11/00/467851100.db2.gz RAQXXUARNPKWLL-LJQANCHMSA-N 2 2 345.443 2.184 20 30 EEEDLP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000570156064 468596527 /nfs/dbraw/zinc/59/65/27/468596527.db2.gz WHDAUMLZJXIWFC-IEBWSBKVSA-N 2 2 325.460 2.008 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cnc12 ZINC000559867289 468758678 /nfs/dbraw/zinc/75/86/78/468758678.db2.gz GEUYZBPZGMDNFB-UHFFFAOYSA-N 2 2 338.459 2.345 20 30 EEEDLP C=CC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000111257518 526979075 /nfs/dbraw/zinc/97/90/75/526979075.db2.gz JLJFMKNSQDDUCK-UHFFFAOYSA-N 2 2 328.460 2.018 20 30 EEEDLP C[C@H](NC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000771557817 577217820 /nfs/dbraw/zinc/21/78/20/577217820.db2.gz NOPHNVCLEPNOCS-AWEZNQCLSA-N 2 2 345.516 2.035 20 30 EEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000733997547 577269264 /nfs/dbraw/zinc/26/92/64/577269264.db2.gz ZHYRJWTWXSFBAV-ZBFHGGJFSA-N 2 2 349.438 2.107 20 30 EEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000733997547 577269265 /nfs/dbraw/zinc/26/92/65/577269265.db2.gz ZHYRJWTWXSFBAV-ZBFHGGJFSA-N 2 2 349.438 2.107 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000748820828 577967546 /nfs/dbraw/zinc/96/75/46/577967546.db2.gz CKCKBGSXBHRKGU-HXUWFJFHSA-N 2 2 339.483 2.218 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000748820828 577967547 /nfs/dbraw/zinc/96/75/47/577967547.db2.gz CKCKBGSXBHRKGU-HXUWFJFHSA-N 2 2 339.483 2.218 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339132 678568427 /nfs/dbraw/zinc/56/84/27/678568427.db2.gz LOJKVTLZTNPZDB-PBHICJAKSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339132 678568432 /nfs/dbraw/zinc/56/84/32/678568432.db2.gz LOJKVTLZTNPZDB-PBHICJAKSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972339132 678568434 /nfs/dbraw/zinc/56/84/34/678568434.db2.gz LOJKVTLZTNPZDB-PBHICJAKSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972339132 678568438 /nfs/dbraw/zinc/56/84/38/678568438.db2.gz LOJKVTLZTNPZDB-PBHICJAKSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742716 685386003 /nfs/dbraw/zinc/38/60/03/685386003.db2.gz NXPKTNOWNNTMMP-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742716 685386008 /nfs/dbraw/zinc/38/60/08/685386008.db2.gz NXPKTNOWNNTMMP-CVEARBPZSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943876345 1192646076 /nfs/dbraw/zinc/64/60/76/1192646076.db2.gz JAIXLYLJKUNBRJ-VQIMIIECSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943876345 1192646078 /nfs/dbraw/zinc/64/60/78/1192646078.db2.gz JAIXLYLJKUNBRJ-VQIMIIECSA-N 2 2 336.439 2.336 20 30 EEEDLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cccc(C#N)c1 ZINC001482150997 1183468861 /nfs/dbraw/zinc/46/88/61/1183468861.db2.gz XSJDTGKZPGLKPY-LSDHHAIUSA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1cccc(C#N)c1 ZINC001482150997 1183468865 /nfs/dbraw/zinc/46/88/65/1183468865.db2.gz XSJDTGKZPGLKPY-LSDHHAIUSA-N 2 2 339.443 2.002 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001088352501 1186650410 /nfs/dbraw/zinc/65/04/10/1186650410.db2.gz CLCCUIDDUXQYSG-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001088352501 1186650411 /nfs/dbraw/zinc/65/04/11/1186650411.db2.gz CLCCUIDDUXQYSG-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001088412336 1186823822 /nfs/dbraw/zinc/82/38/22/1186823822.db2.gz DTSHSNBSFYWAFJ-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088666762 1188074616 /nfs/dbraw/zinc/07/46/16/1188074616.db2.gz QLUSUHPZIDPHCB-XOKHGSTOSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088666762 1188074620 /nfs/dbraw/zinc/07/46/20/1188074620.db2.gz QLUSUHPZIDPHCB-XOKHGSTOSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088666762 1188074625 /nfs/dbraw/zinc/07/46/25/1188074625.db2.gz QLUSUHPZIDPHCB-XOKHGSTOSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088666762 1188074629 /nfs/dbraw/zinc/07/46/29/1188074629.db2.gz QLUSUHPZIDPHCB-XOKHGSTOSA-N 2 2 346.500 2.183 20 30 EEEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213654 1195952479 /nfs/dbraw/zinc/95/24/79/1195952479.db2.gz WMAOYRDHHWRXRX-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213654 1195952482 /nfs/dbraw/zinc/95/24/82/1195952482.db2.gz WMAOYRDHHWRXRX-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394279 1196184318 /nfs/dbraw/zinc/18/43/18/1196184318.db2.gz KTTKMUWVTCISFP-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034394279 1196184319 /nfs/dbraw/zinc/18/43/19/1196184319.db2.gz KTTKMUWVTCISFP-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034394279 1196184321 /nfs/dbraw/zinc/18/43/21/1196184321.db2.gz KTTKMUWVTCISFP-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034394279 1196184323 /nfs/dbraw/zinc/18/43/23/1196184323.db2.gz KTTKMUWVTCISFP-HNNXBMFYSA-N 2 2 327.900 2.442 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)s1 ZINC001034924048 1196899162 /nfs/dbraw/zinc/89/91/62/1196899162.db2.gz JGNFTFKBAVLBGC-CYBMUJFWSA-N 2 2 343.456 2.056 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001114486285 1197930116 /nfs/dbraw/zinc/93/01/16/1197930116.db2.gz UHLCCPOXGNSFRI-IMBTUZDBSA-N 2 2 342.487 2.238 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001114486285 1197930120 /nfs/dbraw/zinc/93/01/20/1197930120.db2.gz UHLCCPOXGNSFRI-IMBTUZDBSA-N 2 2 342.487 2.238 20 30 EEEDLP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001411220865 1198931166 /nfs/dbraw/zinc/93/11/66/1198931166.db2.gz ZNGHTSYKFIYIDF-MRXNPFEDSA-N 2 2 339.443 2.145 20 30 EEEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823459 1200071980 /nfs/dbraw/zinc/07/19/80/1200071980.db2.gz GKKCAQDYHLDEJX-QAPCUYQASA-N 2 2 338.455 2.354 20 30 EEEDLP C[C@](C#N)(NC(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000880568425 1201524801 /nfs/dbraw/zinc/52/48/01/1201524801.db2.gz ZDFYXGHWCPDDCZ-IEBWSBKVSA-N 2 2 337.427 2.022 20 30 EEEDLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)[C@@H]2C1 ZINC001275005281 1205230003 /nfs/dbraw/zinc/23/00/03/1205230003.db2.gz BRWUEZLKEYBIBI-MAUKXSAKSA-N 2 2 332.879 2.279 20 30 EEEDLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)[C@@H]2C1 ZINC001275005281 1205230004 /nfs/dbraw/zinc/23/00/04/1205230004.db2.gz BRWUEZLKEYBIBI-MAUKXSAKSA-N 2 2 332.879 2.279 20 30 EEEDLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(F)ccc(C#N)c1F ZINC001275811482 1205545158 /nfs/dbraw/zinc/54/51/58/1205545158.db2.gz PWZOVHUHPYTZHR-IRXDYDNUSA-N 2 2 334.414 2.047 20 30 EEEDLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(F)ccc(C#N)c1F ZINC001275811482 1205545160 /nfs/dbraw/zinc/54/51/60/1205545160.db2.gz PWZOVHUHPYTZHR-IRXDYDNUSA-N 2 2 334.414 2.047 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000948705645 1209312485 /nfs/dbraw/zinc/31/24/85/1209312485.db2.gz ITKFANPRFOSWKE-MJGOQNOKSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000948705645 1209312489 /nfs/dbraw/zinc/31/24/89/1209312489.db2.gz ITKFANPRFOSWKE-MJGOQNOKSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000948705645 1209312491 /nfs/dbraw/zinc/31/24/91/1209312491.db2.gz ITKFANPRFOSWKE-MJGOQNOKSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000948705645 1209312495 /nfs/dbraw/zinc/31/24/95/1209312495.db2.gz ITKFANPRFOSWKE-MJGOQNOKSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000948933134 1209460369 /nfs/dbraw/zinc/46/03/69/1209460369.db2.gz VYJFHKQEFGKWAE-RTBURBONSA-N 2 2 327.472 2.372 20 30 EEEDLP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000948933134 1209460371 /nfs/dbraw/zinc/46/03/71/1209460371.db2.gz VYJFHKQEFGKWAE-RTBURBONSA-N 2 2 327.472 2.372 20 30 EEEDLP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948933134 1209460372 /nfs/dbraw/zinc/46/03/72/1209460372.db2.gz VYJFHKQEFGKWAE-RTBURBONSA-N 2 2 327.472 2.372 20 30 EEEDLP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948933134 1209460374 /nfs/dbraw/zinc/46/03/74/1209460374.db2.gz VYJFHKQEFGKWAE-RTBURBONSA-N 2 2 327.472 2.372 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC2(C1)CCCCC2 ZINC000088253056 1212260432 /nfs/dbraw/zinc/26/04/32/1212260432.db2.gz CVNSOUCEBNRHER-UHFFFAOYSA-N 2 2 332.496 2.218 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733585 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C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053091342 1245879583 /nfs/dbraw/zinc/87/95/83/1245879583.db2.gz MVVKUUQWHMSFJX-QZTJIDSGSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001054040894 1247198870 /nfs/dbraw/zinc/19/88/70/1247198870.db2.gz GEKHDTNUXKDQFZ-PMACEKPBSA-N 2 2 339.483 2.036 20 30 EEEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001054040894 1247198878 /nfs/dbraw/zinc/19/88/78/1247198878.db2.gz GEKHDTNUXKDQFZ-PMACEKPBSA-N 2 2 339.483 2.036 20 30 EEEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001054040894 1247198885 /nfs/dbraw/zinc/19/88/85/1247198885.db2.gz GEKHDTNUXKDQFZ-PMACEKPBSA-N 2 2 339.483 2.036 20 30 EEEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001054040894 1247198891 /nfs/dbraw/zinc/19/88/91/1247198891.db2.gz GEKHDTNUXKDQFZ-PMACEKPBSA-N 2 2 339.483 2.036 20 30 EEEDLP C=CCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273502090 1278596242 /nfs/dbraw/zinc/59/62/42/1278596242.db2.gz XQVPBVOWBJKOMV-LJQANCHMSA-N 2 2 344.459 2.081 20 30 EEEDLP C=CCCCC[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273502090 1278596249 /nfs/dbraw/zinc/59/62/49/1278596249.db2.gz XQVPBVOWBJKOMV-LJQANCHMSA-N 2 2 344.459 2.081 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201336349 1289517988 /nfs/dbraw/zinc/51/79/88/1289517988.db2.gz MMLJLKQZTJJYJV-HZPDHXFCSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001071982928 1295068364 /nfs/dbraw/zinc/06/83/64/1295068364.db2.gz TVZRMKRSOQXCEJ-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001071982928 1295068375 /nfs/dbraw/zinc/06/83/75/1295068375.db2.gz TVZRMKRSOQXCEJ-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001211228766 1295768383 /nfs/dbraw/zinc/76/83/83/1295768383.db2.gz IVAMYTWZYBOJBL-MRXNPFEDSA-N 2 2 333.501 2.263 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001211228766 1295768387 /nfs/dbraw/zinc/76/83/87/1295768387.db2.gz IVAMYTWZYBOJBL-MRXNPFEDSA-N 2 2 333.501 2.263 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001229223248 1302682714 /nfs/dbraw/zinc/68/27/14/1302682714.db2.gz MMTTZNQESWAVQK-UHFFFAOYSA-N 2 2 349.906 2.494 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001229223248 1302682726 /nfs/dbraw/zinc/68/27/26/1302682726.db2.gz MMTTZNQESWAVQK-UHFFFAOYSA-N 2 2 349.906 2.494 20 30 EEEDLP C[C@H](CO)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998885 1305642153 /nfs/dbraw/zinc/64/21/53/1305642153.db2.gz SLDGEYANBDEMDX-PXNSSMCTSA-N 2 2 344.503 2.203 20 30 EEEDLP C[C@H](CO)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998885 1305642158 /nfs/dbraw/zinc/64/21/58/1305642158.db2.gz SLDGEYANBDEMDX-PXNSSMCTSA-N 2 2 344.503 2.203 20 30 EEEDLP C[C@H](CO)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998885 1305642164 /nfs/dbraw/zinc/64/21/64/1305642164.db2.gz SLDGEYANBDEMDX-PXNSSMCTSA-N 2 2 344.503 2.203 20 30 EEEDLP C[C@H](CO)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277998885 1305642169 /nfs/dbraw/zinc/64/21/69/1305642169.db2.gz SLDGEYANBDEMDX-PXNSSMCTSA-N 2 2 344.503 2.203 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154893927 1317372175 /nfs/dbraw/zinc/37/21/75/1317372175.db2.gz BSMYJLAURHZKCC-CYBMUJFWSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154893927 1317372183 /nfs/dbraw/zinc/37/21/83/1317372183.db2.gz BSMYJLAURHZKCC-CYBMUJFWSA-N 2 2 346.313 2.063 20 30 EEEDLP CCCCCCCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001249645218 1317139852 /nfs/dbraw/zinc/13/98/52/1317139852.db2.gz DQWKWRGYLRWDMA-UHFFFAOYSA-N 2 2 328.570 2.447 20 30 EEEDLP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C#C[Si](C)(C)C)c1 ZINC001157915209 1318928366 /nfs/dbraw/zinc/92/83/66/1318928366.db2.gz LJCYSJBGIQYZCF-UHFFFAOYSA-N 2 2 329.524 2.213 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525099 1320185358 /nfs/dbraw/zinc/18/53/58/1320185358.db2.gz ZDQDZHYPLPAVRC-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525099 1320185359 /nfs/dbraw/zinc/18/53/59/1320185359.db2.gz ZDQDZHYPLPAVRC-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529113 1320186463 /nfs/dbraw/zinc/18/64/63/1320186463.db2.gz BBWFZSWCQULDDF-KRWDZBQOSA-N 2 2 328.460 2.160 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529113 1320186465 /nfs/dbraw/zinc/18/64/65/1320186465.db2.gz BBWFZSWCQULDDF-KRWDZBQOSA-N 2 2 328.460 2.160 20 30 EEEDLP C=CC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001161678970 1320584911 /nfs/dbraw/zinc/58/49/11/1320584911.db2.gz QVLOCYBKIQRJIC-UHFFFAOYSA-N 2 2 337.427 2.205 20 30 EEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001161678970 1320584916 /nfs/dbraw/zinc/58/49/16/1320584916.db2.gz QVLOCYBKIQRJIC-UHFFFAOYSA-N 2 2 337.427 2.205 20 30 EEEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(-c2ccncc2)ccc1C#N ZINC001163129337 1321045039 /nfs/dbraw/zinc/04/50/39/1321045039.db2.gz UTOLCQZKMQOEDK-UHFFFAOYSA-N 2 2 337.431 2.293 20 30 EEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205536781 1323182914 /nfs/dbraw/zinc/18/29/14/1323182914.db2.gz BTXYRQBTOIEJRB-HNNXBMFYSA-N 2 2 336.867 2.026 20 30 EEEDLP N#Cc1ccc(CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208924192 1324720499 /nfs/dbraw/zinc/72/04/99/1324720499.db2.gz YEIMFOWMBNUIAJ-UHFFFAOYSA-N 2 2 335.455 2.409 20 30 EEEDLP N#Cc1ccc(CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208924192 1324720504 /nfs/dbraw/zinc/72/05/04/1324720504.db2.gz YEIMFOWMBNUIAJ-UHFFFAOYSA-N 2 2 335.455 2.409 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001112438461 1371442664 /nfs/dbraw/zinc/44/26/64/1371442664.db2.gz FUDPPGMRCXQVLB-ZWOKBUDYSA-N 2 2 342.487 2.240 20 30 EEEDLP CN(C(=O)C#CC1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000837499959 1372788329 /nfs/dbraw/zinc/78/83/29/1372788329.db2.gz ZDCVMOVSIWMEGE-OALUTQOASA-N 2 2 331.504 2.195 20 30 EEEDLP CN(C(=O)C#CC1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000837499959 1372788333 /nfs/dbraw/zinc/78/83/33/1372788333.db2.gz ZDCVMOVSIWMEGE-OALUTQOASA-N 2 2 331.504 2.195 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001368058075 1374328223 /nfs/dbraw/zinc/32/82/23/1374328223.db2.gz GVCUQIXMPPLYJS-QGZVFWFLSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001368058075 1374328227 /nfs/dbraw/zinc/32/82/27/1374328227.db2.gz GVCUQIXMPPLYJS-QGZVFWFLSA-N 2 2 336.867 2.340 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001377420957 1379228369 /nfs/dbraw/zinc/22/83/69/1379228369.db2.gz YLSVTBSUVWIGLW-SFHVURJKSA-N 2 2 349.906 2.494 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001377420957 1379228382 /nfs/dbraw/zinc/22/83/82/1379228382.db2.gz YLSVTBSUVWIGLW-SFHVURJKSA-N 2 2 349.906 2.494 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001377420957 1379228392 /nfs/dbraw/zinc/22/83/92/1379228392.db2.gz YLSVTBSUVWIGLW-SFHVURJKSA-N 2 2 349.906 2.494 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001377420957 1379228399 /nfs/dbraw/zinc/22/83/99/1379228399.db2.gz YLSVTBSUVWIGLW-SFHVURJKSA-N 2 2 349.906 2.494 20 30 EEEDLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391935974 1389725052 /nfs/dbraw/zinc/72/50/52/1389725052.db2.gz YUQNEXKVEVVKLH-JKSUJKDBSA-N 2 2 339.443 2.248 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001752820964 1406443250 /nfs/dbraw/zinc/44/32/50/1406443250.db2.gz IQLVMVNZNDDKAY-ROUUACIJSA-N 2 2 330.476 2.464 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001752820964 1406443253 /nfs/dbraw/zinc/44/32/53/1406443253.db2.gz IQLVMVNZNDDKAY-ROUUACIJSA-N 2 2 330.476 2.464 20 30 EEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001399998917 1395790525 /nfs/dbraw/zinc/79/05/25/1395790525.db2.gz OWNJLGKOROWZSR-MRXNPFEDSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001399998917 1395790531 /nfs/dbraw/zinc/79/05/31/1395790531.db2.gz OWNJLGKOROWZSR-MRXNPFEDSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001399998917 1395790536 /nfs/dbraw/zinc/79/05/36/1395790536.db2.gz OWNJLGKOROWZSR-MRXNPFEDSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001399998917 1395790540 /nfs/dbraw/zinc/79/05/40/1395790540.db2.gz OWNJLGKOROWZSR-MRXNPFEDSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001402631933 1398105707 /nfs/dbraw/zinc/10/57/07/1398105707.db2.gz MXXSVKRHEWNXJK-AWEZNQCLSA-N 2 2 348.329 2.262 20 30 EEEDLP C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001402631933 1398105711 /nfs/dbraw/zinc/10/57/11/1398105711.db2.gz MXXSVKRHEWNXJK-AWEZNQCLSA-N 2 2 348.329 2.262 20 30 EEEDLP C#CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001574672973 1403524554 /nfs/dbraw/zinc/52/45/54/1403524554.db2.gz GSFFKTGZZHKBQJ-YLJYHZDGSA-N 2 2 335.455 2.325 20 30 EEEDLP C#CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001574672973 1403524560 /nfs/dbraw/zinc/52/45/60/1403524560.db2.gz GSFFKTGZZHKBQJ-YLJYHZDGSA-N 2 2 335.455 2.325 20 30 EEEDLP C#CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001574672966 1403524834 /nfs/dbraw/zinc/52/48/34/1403524834.db2.gz GSFFKTGZZHKBQJ-PXNSSMCTSA-N 2 2 335.455 2.325 20 30 EEEDLP C#CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001574672966 1403524837 /nfs/dbraw/zinc/52/48/37/1403524837.db2.gz GSFFKTGZZHKBQJ-PXNSSMCTSA-N 2 2 335.455 2.325 20 30 EEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001574851172 1403526639 /nfs/dbraw/zinc/52/66/39/1403526639.db2.gz AVSPBWUFVYZWTA-HUUCEWRRSA-N 2 2 332.835 2.290 20 30 EEEDLP CCCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001755402915 1407405886 /nfs/dbraw/zinc/40/58/86/1407405886.db2.gz CWTJXZCDMRPXSH-IBGZPJMESA-N 2 2 348.491 2.157 20 30 EEEDLP CCCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001755402915 1407405893 /nfs/dbraw/zinc/40/58/93/1407405893.db2.gz CWTJXZCDMRPXSH-IBGZPJMESA-N 2 2 348.491 2.157 20 30 EEEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366797 1410537894 /nfs/dbraw/zinc/53/78/94/1410537894.db2.gz IRCVVNLKLWEKFN-QGZVFWFLSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001100341068 1410550589 /nfs/dbraw/zinc/55/05/89/1410550589.db2.gz BGPCIXJMSIYFRC-AQEOSJORSA-N 2 2 342.487 2.214 20 30 EEEDLP CC#CC[NH2+]CC1(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001167456004 759616066 /nfs/dbraw/zinc/61/60/66/759616066.db2.gz NEGNRPBNYANSQC-UHFFFAOYSA-N 2 2 338.455 2.085 20 30 EEEDLP C#CCC[NH2+]CC1(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001167601402 760694591 /nfs/dbraw/zinc/69/45/91/760694591.db2.gz UJPCODIXRSUBEG-UHFFFAOYSA-N 2 2 336.439 2.385 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419392 768948452 /nfs/dbraw/zinc/94/84/52/768948452.db2.gz FNELCKGDAOTEKN-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419392 768948458 /nfs/dbraw/zinc/94/84/58/768948458.db2.gz FNELCKGDAOTEKN-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088159046 783000344 /nfs/dbraw/zinc/00/03/44/783000344.db2.gz ZPMCGIXKJSHDSW-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088159046 783000350 /nfs/dbraw/zinc/00/03/50/783000350.db2.gz ZPMCGIXKJSHDSW-MOPGFXCFSA-N 2 2 348.450 2.290 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028239475 779537366 /nfs/dbraw/zinc/53/73/66/779537366.db2.gz NQNXEAFIBIUOKW-INIZCTEOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028239475 779537372 /nfs/dbraw/zinc/53/73/72/779537372.db2.gz NQNXEAFIBIUOKW-INIZCTEOSA-N 2 2 325.416 2.038 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccccc1C#N ZINC001088857849 790812367 /nfs/dbraw/zinc/81/23/67/790812367.db2.gz GGAGPYSHKNCWEV-FCEWJHQRSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccccc1C#N ZINC001088857849 790812371 /nfs/dbraw/zinc/81/23/71/790812371.db2.gz GGAGPYSHKNCWEV-FCEWJHQRSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001088857849 790812383 /nfs/dbraw/zinc/81/23/83/790812383.db2.gz GGAGPYSHKNCWEV-FCEWJHQRSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1ccccc1C#N ZINC001088857849 790812400 /nfs/dbraw/zinc/81/24/00/790812400.db2.gz GGAGPYSHKNCWEV-FCEWJHQRSA-N 2 2 340.471 2.122 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040941740 781112256 /nfs/dbraw/zinc/11/22/56/781112256.db2.gz OVBCLDBHRCUZBW-UHFFFAOYSA-N 2 2 336.867 2.259 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942175952 781897695 /nfs/dbraw/zinc/89/76/95/781897695.db2.gz MKDZRHNKEZQITE-NVXWUHKLSA-N 2 2 331.460 2.426 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942175952 781897706 /nfs/dbraw/zinc/89/77/06/781897706.db2.gz MKDZRHNKEZQITE-NVXWUHKLSA-N 2 2 331.460 2.426 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575547 784023892 /nfs/dbraw/zinc/02/38/92/784023892.db2.gz ICATZEPLBTWQCP-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798343 784461759 /nfs/dbraw/zinc/46/17/59/784461759.db2.gz FFQRVNYZTUMHDP-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035779625 785113341 /nfs/dbraw/zinc/11/33/41/785113341.db2.gz SZMJNPCIZWJPSM-HOTGVXAUSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779625 785113343 /nfs/dbraw/zinc/11/33/43/785113343.db2.gz SZMJNPCIZWJPSM-HOTGVXAUSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC000996325549 786268075 /nfs/dbraw/zinc/26/80/75/786268075.db2.gz MHKICRSGYJQHER-NFAWXSAZSA-N 2 2 336.867 2.103 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001171068077 788306079 /nfs/dbraw/zinc/30/60/79/788306079.db2.gz UMGJZFHCQPADLX-NSHDSACASA-N 2 2 346.353 2.321 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946859402 788823325 /nfs/dbraw/zinc/82/33/25/788823325.db2.gz SQCGBFNOJQENCC-CALCHBBNSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946859402 788823335 /nfs/dbraw/zinc/82/33/35/788823335.db2.gz SQCGBFNOJQENCC-CALCHBBNSA-N 2 2 330.476 2.099 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998040464 791869297 /nfs/dbraw/zinc/86/92/97/791869297.db2.gz IYTPOLQPBFYWJG-GVDBMIGSSA-N 2 2 328.460 2.240 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998040464 791869301 /nfs/dbraw/zinc/86/93/01/791869301.db2.gz IYTPOLQPBFYWJG-GVDBMIGSSA-N 2 2 328.460 2.240 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998275907 792429340 /nfs/dbraw/zinc/42/93/40/792429340.db2.gz JYWKJBAYQUYKSB-KBPBESRZSA-N 2 2 344.381 2.218 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992396709 793950146 /nfs/dbraw/zinc/95/01/46/793950146.db2.gz XRSONLATYSQXKU-HKUYNNGSSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@H]12 ZINC000992396709 793950151 /nfs/dbraw/zinc/95/01/51/793950151.db2.gz XRSONLATYSQXKU-HKUYNNGSSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001079193534 794472960 /nfs/dbraw/zinc/47/29/60/794472960.db2.gz IJJQMQYSROWCEV-ZWKOTPCHSA-N 2 2 342.418 2.183 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958435 794479171 /nfs/dbraw/zinc/47/91/71/794479171.db2.gz YUSQUTSNSFIITR-MRVWCRGKSA-N 2 2 336.867 2.266 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958435 794479177 /nfs/dbraw/zinc/47/91/77/794479177.db2.gz YUSQUTSNSFIITR-MRVWCRGKSA-N 2 2 336.867 2.266 20 30 EEEDLP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093371540 795102870 /nfs/dbraw/zinc/10/28/70/795102870.db2.gz SUTVJPYTCSWKIX-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093371540 795102873 /nfs/dbraw/zinc/10/28/73/795102873.db2.gz SUTVJPYTCSWKIX-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093371540 795102876 /nfs/dbraw/zinc/10/28/76/795102876.db2.gz SUTVJPYTCSWKIX-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093371540 795102878 /nfs/dbraw/zinc/10/28/78/795102878.db2.gz SUTVJPYTCSWKIX-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993335986 796421092 /nfs/dbraw/zinc/42/10/92/796421092.db2.gz KZWVZMPFYKPOOW-RDJZCZTQSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993335986 796421095 /nfs/dbraw/zinc/42/10/95/796421095.db2.gz KZWVZMPFYKPOOW-RDJZCZTQSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993523458 796779637 /nfs/dbraw/zinc/77/96/37/796779637.db2.gz RJMDLZVHMWSVPU-GDBMZVCRSA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993523458 796779644 /nfs/dbraw/zinc/77/96/44/796779644.db2.gz RJMDLZVHMWSVPU-GDBMZVCRSA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001094946309 797081843 /nfs/dbraw/zinc/08/18/43/797081843.db2.gz MFRIQZLAWGJCGV-BBWFWOEESA-N 2 2 330.476 2.472 20 30 EEEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384490 798293086 /nfs/dbraw/zinc/29/30/86/798293086.db2.gz DPUXKXPWYFUNCE-QGZVFWFLSA-N 2 2 338.455 2.496 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384490 798293091 /nfs/dbraw/zinc/29/30/91/798293091.db2.gz DPUXKXPWYFUNCE-QGZVFWFLSA-N 2 2 338.455 2.496 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178866478 799661907 /nfs/dbraw/zinc/66/19/07/799661907.db2.gz WDQZACRIKSDFHR-OAHLLOKOSA-N 2 2 338.883 2.464 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001179977258 800195062 /nfs/dbraw/zinc/19/50/62/800195062.db2.gz KFRSXMGHSFJOKY-UHFFFAOYSA-N 2 2 339.443 2.170 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001181952094 800973239 /nfs/dbraw/zinc/97/32/39/800973239.db2.gz PVZXLZKJZNOHML-AKCHCHLHSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001181952094 800973245 /nfs/dbraw/zinc/97/32/45/800973245.db2.gz PVZXLZKJZNOHML-AKCHCHLHSA-N 2 2 344.503 2.473 20 30 EEEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399123 802009358 /nfs/dbraw/zinc/00/93/58/802009358.db2.gz HXLPUVWCKIKZGJ-MAUKXSAKSA-N 2 2 338.455 2.354 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473068 802163864 /nfs/dbraw/zinc/16/38/64/802163864.db2.gz KBIDXJYKKFEIQW-ROUUACIJSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473068 802163870 /nfs/dbraw/zinc/16/38/70/802163870.db2.gz KBIDXJYKKFEIQW-ROUUACIJSA-N 2 2 342.487 2.335 20 30 EEEDLP CCCCCCC[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001113053851 807973201 /nfs/dbraw/zinc/97/32/01/807973201.db2.gz PTDRKOZTFYUEKZ-UHFFFAOYSA-N 2 2 336.480 2.464 20 30 EEEDLP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416187 1107483966 /nfs/dbraw/zinc/48/39/66/1107483966.db2.gz RPWMIXYSFCZUBD-QGZVFWFLSA-N 2 2 342.487 2.227 20 30 EEEDLP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416187 1107483968 /nfs/dbraw/zinc/48/39/68/1107483968.db2.gz RPWMIXYSFCZUBD-QGZVFWFLSA-N 2 2 342.487 2.227 20 30 EEEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@@H+]1CCc2sccc2C1 ZINC000329862386 539785241 /nfs/dbraw/zinc/78/52/41/539785241.db2.gz YMUCDTLOLMLUDN-ZDUSSCGKSA-N 2 2 345.472 2.121 20 30 EEEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@H+]1CCc2sccc2C1 ZINC000329862386 539785244 /nfs/dbraw/zinc/78/52/44/539785244.db2.gz YMUCDTLOLMLUDN-ZDUSSCGKSA-N 2 2 345.472 2.121 20 30 EEEDLP Cn1cc[nH+]c1CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275799181 256380914 /nfs/dbraw/zinc/38/09/14/256380914.db2.gz UPXYGMRCPUDWCA-QGZVFWFLSA-N 2 2 349.438 2.076 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246500424 160282073 /nfs/dbraw/zinc/28/20/73/160282073.db2.gz HPXRCNPSEIOICV-QFBILLFUSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246500424 160282076 /nfs/dbraw/zinc/28/20/76/160282076.db2.gz HPXRCNPSEIOICV-QFBILLFUSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246500424 160282078 /nfs/dbraw/zinc/28/20/78/160282078.db2.gz HPXRCNPSEIOICV-QFBILLFUSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246500424 160282080 /nfs/dbraw/zinc/28/20/80/160282080.db2.gz HPXRCNPSEIOICV-QFBILLFUSA-N 2 2 338.455 2.445 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000360838512 164388750 /nfs/dbraw/zinc/38/87/50/164388750.db2.gz CQIRCGSTLRDJNV-OALUTQOASA-N 2 2 340.471 2.255 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000360838512 164388752 /nfs/dbraw/zinc/38/87/52/164388752.db2.gz CQIRCGSTLRDJNV-OALUTQOASA-N 2 2 340.471 2.255 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000561239149 318834355 /nfs/dbraw/zinc/83/43/55/318834355.db2.gz RTGXABXPCRVTKB-IBGZPJMESA-N 2 2 338.455 2.270 20 30 EEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000328601168 465066130 /nfs/dbraw/zinc/06/61/30/465066130.db2.gz FAHWZBWYHPADJZ-HOTGVXAUSA-N 2 2 331.464 2.235 20 30 EEEDLP C[N@H+]1CC=C(C[NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329216223 465271272 /nfs/dbraw/zinc/27/12/72/465271272.db2.gz OCSFSTKLQZDOQO-HNNXBMFYSA-N 2 2 345.491 2.261 20 30 EEEDLP C[N@@H+]1CC=C(C[NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329216223 465271275 /nfs/dbraw/zinc/27/12/75/465271275.db2.gz OCSFSTKLQZDOQO-HNNXBMFYSA-N 2 2 345.491 2.261 20 30 EEEDLP C[N@H+]1CC=C(CNC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329216223 465271279 /nfs/dbraw/zinc/27/12/79/465271279.db2.gz OCSFSTKLQZDOQO-HNNXBMFYSA-N 2 2 345.491 2.261 20 30 EEEDLP C[N@@H+]1CC=C(CNC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329216223 465271283 /nfs/dbraw/zinc/27/12/83/465271283.db2.gz OCSFSTKLQZDOQO-HNNXBMFYSA-N 2 2 345.491 2.261 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](c2ccccc2)C1 ZINC000087561076 462611074 /nfs/dbraw/zinc/61/10/74/462611074.db2.gz WFACXYNKLVLMKK-MRXNPFEDSA-N 2 2 340.475 2.051 20 30 EEEDLP C=CC[NH+](CC=C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052868842 463114390 /nfs/dbraw/zinc/11/43/90/463114390.db2.gz NZFOORMTGAPRMJ-UHFFFAOYSA-N 2 2 329.444 2.131 20 30 EEEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000568466323 468339239 /nfs/dbraw/zinc/33/92/39/468339239.db2.gz BKUAMWOPNBAFDM-OALUTQOASA-N 2 2 326.444 2.311 20 30 EEEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000568466323 468339243 /nfs/dbraw/zinc/33/92/43/468339243.db2.gz BKUAMWOPNBAFDM-OALUTQOASA-N 2 2 326.444 2.311 20 30 EEEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150859850 463442370 /nfs/dbraw/zinc/44/23/70/463442370.db2.gz UEUBKPIEPQKAGP-GOSISDBHSA-N 2 2 340.471 2.351 20 30 EEEDLP N#CCCN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150859850 463442374 /nfs/dbraw/zinc/44/23/74/463442374.db2.gz UEUBKPIEPQKAGP-GOSISDBHSA-N 2 2 340.471 2.351 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000112731254 463706403 /nfs/dbraw/zinc/70/64/03/463706403.db2.gz VGQMAVKFVSJZHL-SFHVURJKSA-N 2 2 334.508 2.192 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000112731254 463706404 /nfs/dbraw/zinc/70/64/04/463706404.db2.gz VGQMAVKFVSJZHL-SFHVURJKSA-N 2 2 334.508 2.192 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000330569933 465709750 /nfs/dbraw/zinc/70/97/50/465709750.db2.gz MHAYRJNLQLROLF-CBZIJGRNSA-N 2 2 331.464 2.209 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000330569933 465709756 /nfs/dbraw/zinc/70/97/56/465709756.db2.gz MHAYRJNLQLROLF-CBZIJGRNSA-N 2 2 331.464 2.209 20 30 EEEDLP Cc1cc(NCc2ccncc2OCCC[NH+](C)C)c(C#N)c[nH+]1 ZINC000425256767 467090796 /nfs/dbraw/zinc/09/07/96/467090796.db2.gz BUKVKUKVZUGKQF-UHFFFAOYSA-N 2 2 325.416 2.021 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038442 467197600 /nfs/dbraw/zinc/19/76/00/467197600.db2.gz NUQMHLNJWLUEFM-ZOBUZTSGSA-N 2 2 333.501 2.335 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038442 467197604 /nfs/dbraw/zinc/19/76/04/467197604.db2.gz NUQMHLNJWLUEFM-ZOBUZTSGSA-N 2 2 333.501 2.335 20 30 EEEDLP N#CCCn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000433321966 467317934 /nfs/dbraw/zinc/31/79/34/467317934.db2.gz YRYBOHIUUBKAGV-KRWDZBQOSA-N 2 2 336.443 2.185 20 30 EEEDLP N#CCCn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000433321966 467317936 /nfs/dbraw/zinc/31/79/36/467317936.db2.gz YRYBOHIUUBKAGV-KRWDZBQOSA-N 2 2 336.443 2.185 20 30 EEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516935157 468057168 /nfs/dbraw/zinc/05/71/68/468057168.db2.gz MGEGUFGXGKIQFE-MSOLQXFVSA-N 2 2 341.455 2.378 20 30 EEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516935157 468057171 /nfs/dbraw/zinc/05/71/71/468057171.db2.gz MGEGUFGXGKIQFE-MSOLQXFVSA-N 2 2 341.455 2.378 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591728152 468511305 /nfs/dbraw/zinc/51/13/05/468511305.db2.gz LMYIIKPNZMHRTP-KRWDZBQOSA-N 2 2 349.500 2.042 20 30 EEEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591728152 468511307 /nfs/dbraw/zinc/51/13/07/468511307.db2.gz LMYIIKPNZMHRTP-KRWDZBQOSA-N 2 2 349.500 2.042 20 30 EEEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610734485 469055142 /nfs/dbraw/zinc/05/51/42/469055142.db2.gz GUJSGYUUPJQTKR-UHFFFAOYSA-N 2 2 347.426 2.102 20 30 EEEDLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)CC#N)CC2)cc1 ZINC000602865796 469128440 /nfs/dbraw/zinc/12/84/40/469128440.db2.gz YZRXQPMXOCOOQU-QGZVFWFLSA-N 2 2 342.487 2.346 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702349 470281862 /nfs/dbraw/zinc/28/18/62/470281862.db2.gz FSEYVUIIPMUMFC-NRFANRHFSA-N 3 2 343.515 2.254 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702349 470281863 /nfs/dbraw/zinc/28/18/63/470281863.db2.gz FSEYVUIIPMUMFC-NRFANRHFSA-N 3 2 343.515 2.254 20 30 EEEDLP NC(=[NH+]OCc1cccc(F)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792406 576027974 /nfs/dbraw/zinc/02/79/74/576027974.db2.gz KIFFTDYACQKGPK-UHFFFAOYSA-N 2 2 343.402 2.495 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448693 679909417 /nfs/dbraw/zinc/90/94/17/679909417.db2.gz VTBZNZDACNGYTI-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448693 679909418 /nfs/dbraw/zinc/90/94/18/679909418.db2.gz VTBZNZDACNGYTI-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001024448693 679909423 /nfs/dbraw/zinc/90/94/23/679909423.db2.gz VTBZNZDACNGYTI-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001026896951 685278555 /nfs/dbraw/zinc/27/85/55/685278555.db2.gz HOVPXSGXCKIVJZ-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001026896951 685278561 /nfs/dbraw/zinc/27/85/61/685278561.db2.gz HOVPXSGXCKIVJZ-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747281 685372461 /nfs/dbraw/zinc/37/24/61/685372461.db2.gz BSGSUVMTLARTSI-WMLDXEAASA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747281 685372467 /nfs/dbraw/zinc/37/24/67/685372467.db2.gz BSGSUVMTLARTSI-WMLDXEAASA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747281 685372472 /nfs/dbraw/zinc/37/24/72/685372472.db2.gz BSGSUVMTLARTSI-WMLDXEAASA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747281 685372477 /nfs/dbraw/zinc/37/24/77/685372477.db2.gz BSGSUVMTLARTSI-WMLDXEAASA-N 2 2 330.476 2.226 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC000992876252 683617540 /nfs/dbraw/zinc/61/75/40/683617540.db2.gz NUECWMLWHNUWIE-YZGWKJHDSA-N 2 2 348.450 2.336 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@@H]21 ZINC001026429153 684633594 /nfs/dbraw/zinc/63/35/94/684633594.db2.gz RZEYSLPYHACWQR-BHYGNILZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@@H]21 ZINC001026429153 684633595 /nfs/dbraw/zinc/63/35/95/684633595.db2.gz RZEYSLPYHACWQR-BHYGNILZSA-N 2 2 345.512 2.119 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986567317 688720912 /nfs/dbraw/zinc/72/09/12/688720912.db2.gz AQDVJLXMQNNPAS-KGLIPLIRSA-N 2 2 336.867 2.093 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988937464 691310690 /nfs/dbraw/zinc/31/06/90/691310690.db2.gz GNTUKTGHXNSPSM-OCCSQVGLSA-N 2 2 343.456 2.055 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988937464 691310693 /nfs/dbraw/zinc/31/06/93/691310693.db2.gz GNTUKTGHXNSPSM-OCCSQVGLSA-N 2 2 343.456 2.055 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001482508500 1186426236 /nfs/dbraw/zinc/42/62/36/1186426236.db2.gz ZPAQCCOACFAJME-UHFFFAOYSA-N 2 2 338.883 2.276 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001482508500 1186426238 /nfs/dbraw/zinc/42/62/38/1186426238.db2.gz ZPAQCCOACFAJME-UHFFFAOYSA-N 2 2 338.883 2.276 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088631858 1188019398 /nfs/dbraw/zinc/01/93/98/1188019398.db2.gz KHPCCFJMXNQJLV-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088631858 1188019402 /nfs/dbraw/zinc/01/94/02/1188019402.db2.gz KHPCCFJMXNQJLV-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088631858 1188019408 /nfs/dbraw/zinc/01/94/08/1188019408.db2.gz KHPCCFJMXNQJLV-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088631858 1188019411 /nfs/dbraw/zinc/01/94/11/1188019411.db2.gz KHPCCFJMXNQJLV-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576708 1188191239 /nfs/dbraw/zinc/19/12/39/1188191239.db2.gz LMIJGUMAMTWNIZ-SFHVURJKSA-N 2 2 342.487 2.425 20 30 EEEDLP C=CCN1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001272880578 1193590537 /nfs/dbraw/zinc/59/05/37/1193590537.db2.gz ZJOXOZPIKOMVEN-HXUWFJFHSA-N 2 2 336.439 2.483 20 30 EEEDLP C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001272880578 1193590538 /nfs/dbraw/zinc/59/05/38/1193590538.db2.gz ZJOXOZPIKOMVEN-HXUWFJFHSA-N 2 2 336.439 2.483 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033774492 1195224739 /nfs/dbraw/zinc/22/47/39/1195224739.db2.gz JWDPMTUQTSBYAX-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033774492 1195224740 /nfs/dbraw/zinc/22/47/40/1195224740.db2.gz JWDPMTUQTSBYAX-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033774492 1195224745 /nfs/dbraw/zinc/22/47/45/1195224745.db2.gz JWDPMTUQTSBYAX-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033774492 1195224747 /nfs/dbraw/zinc/22/47/47/1195224747.db2.gz JWDPMTUQTSBYAX-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001034649562 1196469073 /nfs/dbraw/zinc/46/90/73/1196469073.db2.gz KTAZKQYYOUVCFL-MPGHIAIKSA-N 2 2 345.491 2.383 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001034649562 1196469074 /nfs/dbraw/zinc/46/90/74/1196469074.db2.gz KTAZKQYYOUVCFL-MPGHIAIKSA-N 2 2 345.491 2.383 20 30 EEEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132132927 1199343674 /nfs/dbraw/zinc/34/36/74/1199343674.db2.gz WKRQAJWCJZTNAG-HOCLYGCPSA-N 2 2 342.443 2.348 20 30 EEEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132132927 1199343681 /nfs/dbraw/zinc/34/36/81/1199343681.db2.gz WKRQAJWCJZTNAG-HOCLYGCPSA-N 2 2 342.443 2.348 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132376830 1199638130 /nfs/dbraw/zinc/63/81/30/1199638130.db2.gz QZGGCRZLBWGJOK-LSDHHAIUSA-N 2 2 348.516 2.431 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132376830 1199638132 /nfs/dbraw/zinc/63/81/32/1199638132.db2.gz QZGGCRZLBWGJOK-LSDHHAIUSA-N 2 2 348.516 2.431 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)c1 ZINC001110875924 1204953897 /nfs/dbraw/zinc/95/38/97/1204953897.db2.gz RGCJOINVMIHRME-QRVBRYPASA-N 2 2 349.438 2.067 20 30 EEEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)c1 ZINC001110875924 1204953898 /nfs/dbraw/zinc/95/38/98/1204953898.db2.gz RGCJOINVMIHRME-QRVBRYPASA-N 2 2 349.438 2.067 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001275588539 1205433592 /nfs/dbraw/zinc/43/35/92/1205433592.db2.gz CZDXKZAFLUUSDT-HXUWFJFHSA-N 2 2 349.438 2.022 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001275588539 1205433593 /nfs/dbraw/zinc/43/35/93/1205433593.db2.gz CZDXKZAFLUUSDT-HXUWFJFHSA-N 2 2 349.438 2.022 20 30 EEEDLP C#CCNC(=O)C[N@@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934191940 1207920417 /nfs/dbraw/zinc/92/04/17/1207920417.db2.gz GSKMTMPZCOBCQP-UHFFFAOYSA-N 2 2 327.472 2.112 20 30 EEEDLP C#CCNC(=O)C[N@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934191940 1207920421 /nfs/dbraw/zinc/92/04/21/1207920421.db2.gz GSKMTMPZCOBCQP-UHFFFAOYSA-N 2 2 327.472 2.112 20 30 EEEDLP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)no1 ZINC001276311454 1215678583 /nfs/dbraw/zinc/67/85/83/1215678583.db2.gz MQDCBWXIRSNVSO-UHFFFAOYSA-N 2 2 339.443 2.291 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961196758 1217083049 /nfs/dbraw/zinc/08/30/49/1217083049.db2.gz MCFBMPNRPCADIU-ZWKOTPCHSA-N 2 2 342.487 2.120 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961196758 1217083050 /nfs/dbraw/zinc/08/30/50/1217083050.db2.gz MCFBMPNRPCADIU-ZWKOTPCHSA-N 2 2 342.487 2.120 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262057 1217116486 /nfs/dbraw/zinc/11/64/86/1217116486.db2.gz OLCVVBSKWVJXCA-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262057 1217116489 /nfs/dbraw/zinc/11/64/89/1217116489.db2.gz OLCVVBSKWVJXCA-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP N#Cc1ccccc1C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000961946918 1217416807 /nfs/dbraw/zinc/41/68/07/1217416807.db2.gz CEXALVCCQIEHME-BLYBZDDLSA-N 2 2 349.438 2.069 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385346 1217582629 /nfs/dbraw/zinc/58/26/29/1217582629.db2.gz LFYSEWVPFPOWSK-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385346 1217582631 /nfs/dbraw/zinc/58/26/31/1217582631.db2.gz LFYSEWVPFPOWSK-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963404027 1217600984 /nfs/dbraw/zinc/60/09/84/1217600984.db2.gz KUFJWGHHHYQYCR-HKUYNNGSSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963404027 1217600988 /nfs/dbraw/zinc/60/09/88/1217600988.db2.gz KUFJWGHHHYQYCR-HKUYNNGSSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC(=C)C ZINC000968896546 1221653814 /nfs/dbraw/zinc/65/38/14/1221653814.db2.gz UJFGLOWORXMAIA-MOPGFXCFSA-N 2 2 331.504 2.411 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(=C)C ZINC000968896546 1221653817 /nfs/dbraw/zinc/65/38/17/1221653817.db2.gz UJFGLOWORXMAIA-MOPGFXCFSA-N 2 2 331.504 2.411 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(=C)C ZINC000968896546 1221653819 /nfs/dbraw/zinc/65/38/19/1221653819.db2.gz UJFGLOWORXMAIA-MOPGFXCFSA-N 2 2 331.504 2.411 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(=C)C ZINC000968896546 1221653822 /nfs/dbraw/zinc/65/38/22/1221653822.db2.gz UJFGLOWORXMAIA-MOPGFXCFSA-N 2 2 331.504 2.411 20 30 EEEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968925527 1221677220 /nfs/dbraw/zinc/67/72/20/1221677220.db2.gz GSQJMRSFOPMKBT-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968925527 1221677223 /nfs/dbraw/zinc/67/72/23/1221677223.db2.gz GSQJMRSFOPMKBT-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539031 1222915640 /nfs/dbraw/zinc/91/56/40/1222915640.db2.gz JZEBCGFYEKVBIA-HNNXBMFYSA-N 2 2 332.448 2.041 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539031 1222915641 /nfs/dbraw/zinc/91/56/41/1222915641.db2.gz JZEBCGFYEKVBIA-HNNXBMFYSA-N 2 2 332.448 2.041 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001016693832 1226786504 /nfs/dbraw/zinc/78/65/04/1226786504.db2.gz KUNZJRHFZAOTTN-GDBMZVCRSA-N 2 2 348.878 2.169 20 30 EEEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001014633732 1226863303 /nfs/dbraw/zinc/86/33/03/1226863303.db2.gz STFKNFDQWNMKDD-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001014633732 1226863309 /nfs/dbraw/zinc/86/33/09/1226863309.db2.gz STFKNFDQWNMKDD-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014633732 1226863311 /nfs/dbraw/zinc/86/33/11/1226863311.db2.gz STFKNFDQWNMKDD-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014633732 1226863318 /nfs/dbraw/zinc/86/33/18/1226863318.db2.gz STFKNFDQWNMKDD-OALUTQOASA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016835507 1226912199 /nfs/dbraw/zinc/91/21/99/1226912199.db2.gz GAABTXNWTHRSEI-IIAWOOMASA-N 2 2 348.878 2.247 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039134671 1230345905 /nfs/dbraw/zinc/34/59/05/1230345905.db2.gz TYPGPDQNGRLFBF-KZNAEPCWSA-N 2 2 340.471 2.097 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039134671 1230345910 /nfs/dbraw/zinc/34/59/10/1230345910.db2.gz TYPGPDQNGRLFBF-KZNAEPCWSA-N 2 2 340.471 2.097 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039134671 1230345913 /nfs/dbraw/zinc/34/59/13/1230345913.db2.gz TYPGPDQNGRLFBF-KZNAEPCWSA-N 2 2 340.471 2.097 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039134671 1230345918 /nfs/dbraw/zinc/34/59/18/1230345918.db2.gz TYPGPDQNGRLFBF-KZNAEPCWSA-N 2 2 340.471 2.097 20 30 EEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001040271512 1231144995 /nfs/dbraw/zinc/14/49/95/1231144995.db2.gz TWPAALFFXGRRET-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001040271512 1231144996 /nfs/dbraw/zinc/14/49/96/1231144996.db2.gz TWPAALFFXGRRET-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001040271512 1231144998 /nfs/dbraw/zinc/14/49/98/1231144998.db2.gz TWPAALFFXGRRET-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001040271512 1231144999 /nfs/dbraw/zinc/14/49/99/1231144999.db2.gz TWPAALFFXGRRET-UZLBHIALSA-N 2 2 342.487 2.324 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041769302 1231684607 /nfs/dbraw/zinc/68/46/07/1231684607.db2.gz OFRMVRXTVVRZFM-OAQYLSRUSA-N 2 2 348.450 2.434 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041769302 1231684610 /nfs/dbraw/zinc/68/46/10/1231684610.db2.gz OFRMVRXTVVRZFM-OAQYLSRUSA-N 2 2 348.450 2.434 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044750732 1233235634 /nfs/dbraw/zinc/23/56/34/1233235634.db2.gz PAWMIPDDVKVUAB-OLZOCXBDSA-N 2 2 343.456 2.055 20 30 EEEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979260 1234267865 /nfs/dbraw/zinc/26/78/65/1234267865.db2.gz BMXFNHTYMMJPGR-IBGZPJMESA-N 2 2 328.460 2.025 20 30 EEEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979260 1234267868 /nfs/dbraw/zinc/26/78/68/1234267868.db2.gz BMXFNHTYMMJPGR-IBGZPJMESA-N 2 2 328.460 2.025 20 30 EEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001048542720 1237921399 /nfs/dbraw/zinc/92/13/99/1237921399.db2.gz RFFSYGKBXJEURR-WCXIOVBPSA-N 2 2 342.487 2.368 20 30 EEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001048542720 1237921403 /nfs/dbraw/zinc/92/14/03/1237921403.db2.gz RFFSYGKBXJEURR-WCXIOVBPSA-N 2 2 342.487 2.368 20 30 EEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001048542720 1237921411 /nfs/dbraw/zinc/92/14/11/1237921411.db2.gz RFFSYGKBXJEURR-WCXIOVBPSA-N 2 2 342.487 2.368 20 30 EEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001048542720 1237921417 /nfs/dbraw/zinc/92/14/17/1237921417.db2.gz RFFSYGKBXJEURR-WCXIOVBPSA-N 2 2 342.487 2.368 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049732414 1242028262 /nfs/dbraw/zinc/02/82/62/1242028262.db2.gz ARTTUSXEVDMZAS-QBPKDAKJSA-N 2 2 328.460 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LJXVHPAZABJUQZ-UXHICEINSA-N 2 2 341.499 2.157 20 30 EEEDLP C=CCOCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752535 1305728684 /nfs/dbraw/zinc/72/86/84/1305728684.db2.gz HIFSVYJDHQKTMI-QGZVFWFLSA-N 2 2 348.491 2.446 20 30 EEEDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237469283 1305947833 /nfs/dbraw/zinc/94/78/33/1305947833.db2.gz RXEYLBLENQLPFQ-FXAWDEMLSA-N 2 2 338.455 2.202 20 30 EEEDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237469283 1305947838 /nfs/dbraw/zinc/94/78/38/1305947838.db2.gz RXEYLBLENQLPFQ-FXAWDEMLSA-N 2 2 338.455 2.202 20 30 EEEDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237469283 1305947840 /nfs/dbraw/zinc/94/78/40/1305947840.db2.gz RXEYLBLENQLPFQ-FXAWDEMLSA-N 2 2 338.455 2.202 20 30 EEEDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237469283 1305947843 /nfs/dbraw/zinc/94/78/43/1305947843.db2.gz RXEYLBLENQLPFQ-FXAWDEMLSA-N 2 2 338.455 2.202 20 30 EEEDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001139407394 1314740273 /nfs/dbraw/zinc/74/02/73/1314740273.db2.gz ABKRPUFAAGJTSY-GOSISDBHSA-N 2 2 343.496 2.213 20 30 EEEDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001139407394 1314740275 /nfs/dbraw/zinc/74/02/75/1314740275.db2.gz ABKRPUFAAGJTSY-GOSISDBHSA-N 2 2 343.496 2.213 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226087 1317509368 /nfs/dbraw/zinc/50/93/68/1317509368.db2.gz GZUCCFSWYHLIQL-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226087 1317509372 /nfs/dbraw/zinc/50/93/72/1317509372.db2.gz GZUCCFSWYHLIQL-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226087 1317509377 /nfs/dbraw/zinc/50/93/77/1317509377.db2.gz GZUCCFSWYHLIQL-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226087 1317509383 /nfs/dbraw/zinc/50/93/83/1317509383.db2.gz GZUCCFSWYHLIQL-UONOGXRCSA-N 2 2 346.313 2.206 20 30 EEEDLP C=CCOC[C@H](O)C[NH2+][C@H](C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC001252499284 1317618410 /nfs/dbraw/zinc/61/84/10/1317618410.db2.gz YYSZBILQEFXOAC-MJMGGKPFSA-N 2 2 336.520 2.286 20 30 EEEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825627 1317750686 /nfs/dbraw/zinc/75/06/86/1317750686.db2.gz NZJBKNLDJCNHNF-MRXNPFEDSA-N 2 2 326.444 2.035 20 30 EEEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825627 1317750691 /nfs/dbraw/zinc/75/06/91/1317750691.db2.gz NZJBKNLDJCNHNF-MRXNPFEDSA-N 2 2 326.444 2.035 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001253395013 1317839402 /nfs/dbraw/zinc/83/94/02/1317839402.db2.gz XRIZKRBBACGOFY-AEFFLSMTSA-N 2 2 331.460 2.150 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001253395013 1317839408 /nfs/dbraw/zinc/83/94/08/1317839408.db2.gz XRIZKRBBACGOFY-AEFFLSMTSA-N 2 2 331.460 2.150 20 30 EEEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107050 1319019562 /nfs/dbraw/zinc/01/95/62/1319019562.db2.gz AAKZMVBPSTYWNF-QZTJIDSGSA-N 2 2 330.476 2.416 20 30 EEEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107050 1319019571 /nfs/dbraw/zinc/01/95/71/1319019571.db2.gz AAKZMVBPSTYWNF-QZTJIDSGSA-N 2 2 330.476 2.416 20 30 EEEDLP COC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3c2CC[NH2+]C3)cc1 ZINC001159857548 1320005738 /nfs/dbraw/zinc/00/57/38/1320005738.db2.gz VCQMOCUHWKLTOC-UHFFFAOYSA-N 2 2 344.802 2.204 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165848983 1321597758 /nfs/dbraw/zinc/59/77/58/1321597758.db2.gz NVQAJKUMKPBSDS-AWEZNQCLSA-N 2 2 336.867 2.074 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001265303805 1323054955 /nfs/dbraw/zinc/05/49/55/1323054955.db2.gz PHTFEAFUKXMOMB-ROUUACIJSA-N 2 2 347.890 2.222 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001265303805 1323054965 /nfs/dbraw/zinc/05/49/65/1323054965.db2.gz PHTFEAFUKXMOMB-ROUUACIJSA-N 2 2 347.890 2.222 20 30 EEEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648587 1324606554 /nfs/dbraw/zinc/60/65/54/1324606554.db2.gz KGKJRGRWJRLPJO-QGZVFWFLSA-N 2 2 331.460 2.404 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001209923063 1325099236 /nfs/dbraw/zinc/09/92/36/1325099236.db2.gz YMBJYGFNGRCSOF-GOSISDBHSA-N 2 2 349.519 2.178 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001340422376 1337180961 /nfs/dbraw/zinc/18/09/61/1337180961.db2.gz SLOUYPJECMLDBJ-SJORKVTESA-N 2 2 346.523 2.369 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340422376 1337180963 /nfs/dbraw/zinc/18/09/63/1337180963.db2.gz SLOUYPJECMLDBJ-SJORKVTESA-N 2 2 346.523 2.369 20 30 EEEDLP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001479909811 1337553957 /nfs/dbraw/zinc/55/39/57/1337553957.db2.gz RDOOGFRSYZLUSC-WOJBJXKFSA-N 2 2 341.499 2.205 20 30 EEEDLP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001479909811 1337553959 /nfs/dbraw/zinc/55/39/59/1337553959.db2.gz RDOOGFRSYZLUSC-WOJBJXKFSA-N 2 2 341.499 2.205 20 30 EEEDLP N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001650157465 1353750146 /nfs/dbraw/zinc/75/01/46/1353750146.db2.gz CLZVHDYEPHOYKX-ZWKOTPCHSA-N 2 2 326.444 2.493 20 30 EEEDLP N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001650157465 1353750147 /nfs/dbraw/zinc/75/01/47/1353750147.db2.gz CLZVHDYEPHOYKX-ZWKOTPCHSA-N 2 2 326.444 2.493 20 30 EEEDLP CC#CC[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001752269111 1406251512 /nfs/dbraw/zinc/25/15/12/1406251512.db2.gz LEYYSFJJZOZAJN-UHFFFAOYSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001752269111 1406251524 /nfs/dbraw/zinc/25/15/24/1406251524.db2.gz LEYYSFJJZOZAJN-UHFFFAOYSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001753051858 1406641029 /nfs/dbraw/zinc/64/10/29/1406641029.db2.gz QXMOUWSOSCFBKM-QAPCUYQASA-N 2 2 331.435 2.032 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001753051858 1406641036 /nfs/dbraw/zinc/64/10/36/1406641036.db2.gz QXMOUWSOSCFBKM-QAPCUYQASA-N 2 2 331.435 2.032 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001753051858 1406641041 /nfs/dbraw/zinc/64/10/41/1406641041.db2.gz QXMOUWSOSCFBKM-QAPCUYQASA-N 2 2 331.435 2.032 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001753051858 1406641046 /nfs/dbraw/zinc/64/10/46/1406641046.db2.gz QXMOUWSOSCFBKM-QAPCUYQASA-N 2 2 331.435 2.032 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCCC1 ZINC001402135520 1397786711 /nfs/dbraw/zinc/78/67/11/1397786711.db2.gz QXDFRHXUMYEAMP-MRXNPFEDSA-N 2 2 338.883 2.370 20 30 EEEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366796 1410538120 /nfs/dbraw/zinc/53/81/20/1410538120.db2.gz IRCVVNLKLWEKFN-KRWDZBQOSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114957854 759664623 /nfs/dbraw/zinc/66/46/23/759664623.db2.gz XFENKNGXLWCCGV-BGTYHANMSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114957854 759664634 /nfs/dbraw/zinc/66/46/34/759664634.db2.gz XFENKNGXLWCCGV-BGTYHANMSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114957854 759664639 /nfs/dbraw/zinc/66/46/39/759664639.db2.gz XFENKNGXLWCCGV-BGTYHANMSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114957854 759664647 /nfs/dbraw/zinc/66/46/47/759664647.db2.gz XFENKNGXLWCCGV-BGTYHANMSA-N 2 2 330.476 2.381 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419394 768948366 /nfs/dbraw/zinc/94/83/66/768948366.db2.gz FNELCKGDAOTEKN-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419394 768948370 /nfs/dbraw/zinc/94/83/70/768948370.db2.gz FNELCKGDAOTEKN-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089660767 774046079 /nfs/dbraw/zinc/04/60/79/774046079.db2.gz PTCUQJDPNWZTDD-WMZOPIPTSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089660767 774046087 /nfs/dbraw/zinc/04/60/87/774046087.db2.gz PTCUQJDPNWZTDD-WMZOPIPTSA-N 2 2 342.487 2.076 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000981408119 777334705 /nfs/dbraw/zinc/33/47/05/777334705.db2.gz AKBPMVWLTHKOCE-SJORKVTESA-N 2 2 337.427 2.041 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000981456973 777444539 /nfs/dbraw/zinc/44/45/39/777444539.db2.gz HGWVVABEEOKLQE-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000981456973 777444541 /nfs/dbraw/zinc/44/45/41/777444541.db2.gz HGWVVABEEOKLQE-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000981456973 777444543 /nfs/dbraw/zinc/44/45/43/777444543.db2.gz HGWVVABEEOKLQE-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981538465 777621135 /nfs/dbraw/zinc/62/11/35/777621135.db2.gz OJZPXUVIDBIIJH-HZPDHXFCSA-N 2 2 333.501 2.309 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981538465 777621138 /nfs/dbraw/zinc/62/11/38/777621138.db2.gz OJZPXUVIDBIIJH-HZPDHXFCSA-N 2 2 333.501 2.309 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cc[nH+]c2)C1 ZINC001089847326 777876207 /nfs/dbraw/zinc/87/62/07/777876207.db2.gz QBSKOVBRBAOGSX-XSLAGTTESA-N 2 2 328.460 2.018 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cc[nH+]c2)C1 ZINC001089847326 777876220 /nfs/dbraw/zinc/87/62/20/777876220.db2.gz QBSKOVBRBAOGSX-XSLAGTTESA-N 2 2 328.460 2.018 20 30 EEEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@]2(C)C1 ZINC000982304645 779645820 /nfs/dbraw/zinc/64/58/20/779645820.db2.gz HICKCRFKSFGCEO-BGYRXZFFSA-N 2 2 342.487 2.120 20 30 EEEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@]2(C)C1 ZINC000982304645 779645825 /nfs/dbraw/zinc/64/58/25/779645825.db2.gz HICKCRFKSFGCEO-BGYRXZFFSA-N 2 2 342.487 2.120 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087442473 780138698 /nfs/dbraw/zinc/13/86/98/780138698.db2.gz LJMHJZJLAHRMIP-IEBWSBKVSA-N 2 2 338.455 2.421 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087442473 780138702 /nfs/dbraw/zinc/13/87/02/780138702.db2.gz LJMHJZJLAHRMIP-IEBWSBKVSA-N 2 2 338.455 2.421 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035377117 784451952 /nfs/dbraw/zinc/45/19/52/784451952.db2.gz ZVOUHWZIFFKNFQ-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001035377117 784451959 /nfs/dbraw/zinc/45/19/59/784451959.db2.gz ZVOUHWZIFFKNFQ-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001035377117 784451964 /nfs/dbraw/zinc/45/19/64/784451964.db2.gz ZVOUHWZIFFKNFQ-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001035377117 784451970 /nfs/dbraw/zinc/45/19/70/784451970.db2.gz ZVOUHWZIFFKNFQ-MJGOQNOKSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853568 784607578 /nfs/dbraw/zinc/60/75/78/784607578.db2.gz ZMSMXLXUGBNKBB-LSDHHAIUSA-N 2 2 327.432 2.330 20 30 EEEDLP C=CCc1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc(OC)c1OC ZINC000817908223 785061556 /nfs/dbraw/zinc/06/15/56/785061556.db2.gz BXUDUXXCGKRAAQ-RHSMWYFYSA-N 2 2 334.460 2.289 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995976706 785883196 /nfs/dbraw/zinc/88/31/96/785883196.db2.gz DMZXRAGUMQQIDA-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995976706 785883207 /nfs/dbraw/zinc/88/32/07/785883207.db2.gz DMZXRAGUMQQIDA-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107444794 787256987 /nfs/dbraw/zinc/25/69/87/787256987.db2.gz CSQVAMOAQNDGAK-QWFCFKBJSA-N 2 2 342.487 2.464 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107444794 787256992 /nfs/dbraw/zinc/25/69/92/787256992.db2.gz CSQVAMOAQNDGAK-QWFCFKBJSA-N 2 2 342.487 2.464 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954233 789803226 /nfs/dbraw/zinc/80/32/26/789803226.db2.gz KSVUUDWBDMNLRG-LPHOPBHVSA-N 2 2 348.491 2.180 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954233 789803233 /nfs/dbraw/zinc/80/32/33/789803233.db2.gz KSVUUDWBDMNLRG-LPHOPBHVSA-N 2 2 348.491 2.180 20 30 EEEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@]2(CCOC2)C1 ZINC000158017865 790115935 /nfs/dbraw/zinc/11/59/35/790115935.db2.gz ZUVILPCKKGOHDJ-LJQANCHMSA-N 2 2 339.443 2.060 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050952 791889671 /nfs/dbraw/zinc/88/96/71/791889671.db2.gz KHOSOQHWMLMPCV-HNNXBMFYSA-N 2 2 334.464 2.239 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998050952 791889677 /nfs/dbraw/zinc/88/96/77/791889677.db2.gz KHOSOQHWMLMPCV-HNNXBMFYSA-N 2 2 334.464 2.239 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054334 791898497 /nfs/dbraw/zinc/89/84/97/791898497.db2.gz WXHNCOOPMDAFHN-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054334 791898503 /nfs/dbraw/zinc/89/85/03/791898503.db2.gz WXHNCOOPMDAFHN-MSOLQXFVSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766711 791932331 /nfs/dbraw/zinc/93/23/31/791932331.db2.gz FSEYEKRITAONRI-QGZVFWFLSA-N 2 2 328.460 2.028 20 30 EEEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766711 791932335 /nfs/dbraw/zinc/93/23/35/791932335.db2.gz FSEYEKRITAONRI-QGZVFWFLSA-N 2 2 328.460 2.028 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992190917 793151151 /nfs/dbraw/zinc/15/11/51/793151151.db2.gz QCDCNYPQMXJPSJ-BFYDXBDKSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992190917 793151156 /nfs/dbraw/zinc/15/11/56/793151156.db2.gz QCDCNYPQMXJPSJ-BFYDXBDKSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992190917 793151161 /nfs/dbraw/zinc/15/11/61/793151161.db2.gz QCDCNYPQMXJPSJ-BFYDXBDKSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992190917 793151167 /nfs/dbraw/zinc/15/11/67/793151167.db2.gz QCDCNYPQMXJPSJ-BFYDXBDKSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110147004 795379415 /nfs/dbraw/zinc/37/94/15/795379415.db2.gz GGYUHABVMRZPRF-PMPSAXMXSA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110147004 795379423 /nfs/dbraw/zinc/37/94/23/795379423.db2.gz GGYUHABVMRZPRF-PMPSAXMXSA-N 2 2 325.884 2.336 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343117 795423722 /nfs/dbraw/zinc/42/37/22/795423722.db2.gz QERCEKTYTQJSSG-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576897 796646646 /nfs/dbraw/zinc/64/66/46/796646646.db2.gz LLCREWXXUWMYID-HUUCEWRRSA-N 2 2 338.883 2.463 20 30 EEEDLP C[C@@H](CCCC#N)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001172498372 797009690 /nfs/dbraw/zinc/00/96/90/797009690.db2.gz KRMKGRHFPYKNMJ-IRXDYDNUSA-N 2 2 344.507 2.089 20 30 EEEDLP C[C@@H](CCCC#N)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001172498372 797009695 /nfs/dbraw/zinc/00/96/95/797009695.db2.gz KRMKGRHFPYKNMJ-IRXDYDNUSA-N 2 2 344.507 2.089 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=C)Cl)[C@@H]2C)CC1 ZINC000994500922 798107490 /nfs/dbraw/zinc/10/74/90/798107490.db2.gz RUNXKNJIWAMBFM-NVXWUHKLSA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=C)Cl)[C@@H]2C)CC1 ZINC000994500922 798107494 /nfs/dbraw/zinc/10/74/94/798107494.db2.gz RUNXKNJIWAMBFM-NVXWUHKLSA-N 2 2 337.895 2.053 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638520 798174068 /nfs/dbraw/zinc/17/40/68/798174068.db2.gz QVABADVWZVJDRD-CVEARBPZSA-N 2 2 336.480 2.056 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638520 798174071 /nfs/dbraw/zinc/17/40/71/798174071.db2.gz QVABADVWZVJDRD-CVEARBPZSA-N 2 2 336.480 2.056 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212463161 798608476 /nfs/dbraw/zinc/60/84/76/798608476.db2.gz UOUBFNNZIFABQC-FSPWUOQZSA-N 2 2 342.443 2.347 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212463161 798608482 /nfs/dbraw/zinc/60/84/82/798608482.db2.gz UOUBFNNZIFABQC-FSPWUOQZSA-N 2 2 342.443 2.347 20 30 EEEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378526 798892811 /nfs/dbraw/zinc/89/28/11/798892811.db2.gz FIFOWPBKBBJKMI-UHFFFAOYSA-N 2 2 330.476 2.295 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001177352581 798903554 /nfs/dbraw/zinc/90/35/54/798903554.db2.gz BSVRGABFZNRAHA-SFHVURJKSA-N 2 2 342.487 2.077 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675101 801015380 /nfs/dbraw/zinc/01/53/80/801015380.db2.gz LGXIZZARARFSAI-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675101 801015385 /nfs/dbraw/zinc/01/53/85/801015385.db2.gz LGXIZZARARFSAI-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085675101 801015389 /nfs/dbraw/zinc/01/53/89/801015389.db2.gz LGXIZZARARFSAI-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085675101 801015394 /nfs/dbraw/zinc/01/53/94/801015394.db2.gz LGXIZZARARFSAI-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC4(C3)OCCO4)CC2)cc1 ZINC000922796736 801922456 /nfs/dbraw/zinc/92/24/56/801922456.db2.gz GKTFAWMQLADDQF-UHFFFAOYSA-N 2 2 341.455 2.265 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642833 802552505 /nfs/dbraw/zinc/55/25/05/802552505.db2.gz RBYRNJBLDBZUFS-IYBDPMFKSA-N 2 2 336.439 2.370 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642833 802552510 /nfs/dbraw/zinc/55/25/10/802552510.db2.gz RBYRNJBLDBZUFS-IYBDPMFKSA-N 2 2 336.439 2.370 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649153 802606440 /nfs/dbraw/zinc/60/64/40/802606440.db2.gz OAFMSWMGKCDMFM-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649153 802606444 /nfs/dbraw/zinc/60/64/44/802606444.db2.gz OAFMSWMGKCDMFM-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033219188 803328814 /nfs/dbraw/zinc/32/88/14/803328814.db2.gz XNKVNKUCPPHQQX-HOTGVXAUSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033219188 803328821 /nfs/dbraw/zinc/32/88/21/803328821.db2.gz XNKVNKUCPPHQQX-HOTGVXAUSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033219188 803328824 /nfs/dbraw/zinc/32/88/24/803328824.db2.gz XNKVNKUCPPHQQX-HOTGVXAUSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033219188 803328832 /nfs/dbraw/zinc/32/88/32/803328832.db2.gz XNKVNKUCPPHQQX-HOTGVXAUSA-N 2 2 327.900 2.392 20 30 EEEDLP N#Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)cc1Cl ZINC001158269274 812509667 /nfs/dbraw/zinc/50/96/67/812509667.db2.gz PLPFHEHUOFZNRO-SNVBAGLBSA-N 2 2 340.258 2.262 20 30 EEEDLP N#Cc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)cc1Cl ZINC001158269274 812509670 /nfs/dbraw/zinc/50/96/70/812509670.db2.gz PLPFHEHUOFZNRO-SNVBAGLBSA-N 2 2 340.258 2.262 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001446569557 1101053991 /nfs/dbraw/zinc/05/39/91/1101053991.db2.gz XFFZMAMIKGARPU-HNNXBMFYSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001446569557 1101054000 /nfs/dbraw/zinc/05/40/00/1101054000.db2.gz XFFZMAMIKGARPU-HNNXBMFYSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001446569557 1101054009 /nfs/dbraw/zinc/05/40/09/1101054009.db2.gz XFFZMAMIKGARPU-HNNXBMFYSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001446569557 1101054018 /nfs/dbraw/zinc/05/40/18/1101054018.db2.gz XFFZMAMIKGARPU-HNNXBMFYSA-N 2 2 346.313 2.208 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]Cc3ccccc3C#N)ccn12 ZINC001568991555 1125025510 /nfs/dbraw/zinc/02/55/10/1125025510.db2.gz BQIUBPYAEVFGKJ-CQSZACIVSA-N 2 2 347.422 2.423 20 30 EEEDLP Cn1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000329550821 539776842 /nfs/dbraw/zinc/77/68/42/539776842.db2.gz AHGRGCBQUUZWTP-UHFFFAOYSA-N 2 2 345.491 2.161 20 30 EEEDLP C[C@H]1CN(Cc2cccc(C#N)c2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343706684 161160641 /nfs/dbraw/zinc/16/06/41/161160641.db2.gz HGIPLIQGOBPRCX-HNNXBMFYSA-N 2 2 330.451 2.298 20 30 EEEDLP C[C@H]1CN(Cc2cccc(C#N)c2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343706684 161160642 /nfs/dbraw/zinc/16/06/42/161160642.db2.gz HGIPLIQGOBPRCX-HNNXBMFYSA-N 2 2 330.451 2.298 20 30 EEEDLP CC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000344031842 161192019 /nfs/dbraw/zinc/19/20/19/161192019.db2.gz IERRYQYOWNJSOU-UHFFFAOYSA-N 2 2 340.471 2.123 20 30 EEEDLP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000369114188 166193820 /nfs/dbraw/zinc/19/38/20/166193820.db2.gz ZVWWZYLFKSWFDK-QFBILLFUSA-N 2 2 342.487 2.025 20 30 EEEDLP N#Cc1cnn2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cnc12 ZINC000567889157 319431110 /nfs/dbraw/zinc/43/11/10/319431110.db2.gz ZPIVGJAJAJWFOT-UHFFFAOYSA-N 2 2 349.442 2.490 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972612 463376791 /nfs/dbraw/zinc/37/67/91/463376791.db2.gz KSIQVJLZMFOROV-GJZGRUSLSA-N 2 2 329.448 2.320 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972612 463376794 /nfs/dbraw/zinc/37/67/94/463376794.db2.gz KSIQVJLZMFOROV-GJZGRUSLSA-N 2 2 329.448 2.320 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161321533 463420623 /nfs/dbraw/zinc/42/06/23/463420623.db2.gz CRFCOENLTDAMOW-HNNXBMFYSA-N 2 2 335.411 2.102 20 30 EEEDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268369712 463720717 /nfs/dbraw/zinc/72/07/17/463720717.db2.gz HMAZILJTRSLRFN-AYBZRNKSSA-N 2 2 340.427 2.078 20 30 EEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268369712 463720719 /nfs/dbraw/zinc/72/07/19/463720719.db2.gz HMAZILJTRSLRFN-AYBZRNKSSA-N 2 2 340.427 2.078 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140354 463887583 /nfs/dbraw/zinc/88/75/83/463887583.db2.gz IYWMPTGHDVJVRT-IEBWSBKVSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140354 463887588 /nfs/dbraw/zinc/88/75/88/463887588.db2.gz IYWMPTGHDVJVRT-IEBWSBKVSA-N 2 2 340.471 2.470 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000269400324 463977915 /nfs/dbraw/zinc/97/79/15/463977915.db2.gz FYWYXUCUQCJBHE-IBGZPJMESA-N 2 2 339.414 2.206 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000269400324 463977921 /nfs/dbraw/zinc/97/79/21/463977921.db2.gz FYWYXUCUQCJBHE-IBGZPJMESA-N 2 2 339.414 2.206 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)ccc1Cl ZINC000285670760 464651651 /nfs/dbraw/zinc/65/16/51/464651651.db2.gz UEMYXMUSCUGEIQ-UHFFFAOYSA-N 2 2 348.878 2.310 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)ccc1Cl ZINC000285670760 464651657 /nfs/dbraw/zinc/65/16/57/464651657.db2.gz UEMYXMUSCUGEIQ-UHFFFAOYSA-N 2 2 348.878 2.310 20 30 EEEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3ccccc3)CC[C@H]21 ZINC000248201505 464738655 /nfs/dbraw/zinc/73/86/55/464738655.db2.gz YWMZMSKWHAPRCP-PKOBYXMFSA-N 2 2 340.471 2.349 20 30 EEEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3ccccc3)CC[C@H]21 ZINC000248201505 464738660 /nfs/dbraw/zinc/73/86/60/464738660.db2.gz YWMZMSKWHAPRCP-PKOBYXMFSA-N 2 2 340.471 2.349 20 30 EEEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)CC[C@H]21 ZINC000248201505 464738667 /nfs/dbraw/zinc/73/86/67/464738667.db2.gz YWMZMSKWHAPRCP-PKOBYXMFSA-N 2 2 340.471 2.349 20 30 EEEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)CC[C@H]21 ZINC000248201505 464738673 /nfs/dbraw/zinc/73/86/73/464738673.db2.gz YWMZMSKWHAPRCP-PKOBYXMFSA-N 2 2 340.471 2.349 20 30 EEEDLP N#CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282424416 464813241 /nfs/dbraw/zinc/81/32/41/464813241.db2.gz GYGVMKQDRGOZPC-GOSISDBHSA-N 2 2 329.444 2.133 20 30 EEEDLP N#CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282424416 464813246 /nfs/dbraw/zinc/81/32/46/464813246.db2.gz GYGVMKQDRGOZPC-GOSISDBHSA-N 2 2 329.444 2.133 20 30 EEEDLP CC#CC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000339766022 465497908 /nfs/dbraw/zinc/49/79/08/465497908.db2.gz MFIJDAAXUYGDFE-UHFFFAOYSA-N 2 2 349.478 2.439 20 30 EEEDLP CC#CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000339766022 465497913 /nfs/dbraw/zinc/49/79/13/465497913.db2.gz MFIJDAAXUYGDFE-UHFFFAOYSA-N 2 2 349.478 2.439 20 30 EEEDLP [O-]C(NC1CC[NH+](CC2CCCC2)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330169713 465556704 /nfs/dbraw/zinc/55/67/04/465556704.db2.gz DINQMSLSARQOSC-QGZVFWFLSA-N 2 2 345.491 2.356 20 30 EEEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](CC2CCCC2)CC1 ZINC000330169713 465556709 /nfs/dbraw/zinc/55/67/09/465556709.db2.gz DINQMSLSARQOSC-QGZVFWFLSA-N 2 2 345.491 2.356 20 30 EEEDLP C=CCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1OC ZINC000352970767 465575930 /nfs/dbraw/zinc/57/59/30/465575930.db2.gz MRPHKOBPKVHECC-UHFFFAOYSA-N 2 2 334.460 2.196 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)CCO1 ZINC000330320365 465611053 /nfs/dbraw/zinc/61/10/53/465611053.db2.gz FACGWXAXGOSDNI-IPYPFGDCSA-N 2 2 338.477 2.034 20 30 EEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)CCO1 ZINC000330320365 465611059 /nfs/dbraw/zinc/61/10/59/465611059.db2.gz FACGWXAXGOSDNI-IPYPFGDCSA-N 2 2 338.477 2.034 20 30 EEEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000591571030 468485027 /nfs/dbraw/zinc/48/50/27/468485027.db2.gz WQXAYWILVXGQRL-OIISXLGYSA-N 2 2 346.450 2.023 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369900891 466760556 /nfs/dbraw/zinc/76/05/56/466760556.db2.gz RPECSEYPQMELCJ-MRXNPFEDSA-N 2 2 329.448 2.029 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369900891 466760562 /nfs/dbraw/zinc/76/05/62/466760562.db2.gz RPECSEYPQMELCJ-MRXNPFEDSA-N 2 2 329.448 2.029 20 30 EEEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000424126849 466984421 /nfs/dbraw/zinc/98/44/21/466984421.db2.gz CCEOFGSKTMBWJL-INIZCTEOSA-N 2 2 329.448 2.099 20 30 EEEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000424140595 466988383 /nfs/dbraw/zinc/98/83/83/466988383.db2.gz BKKRUTCZDBWVGR-MRXNPFEDSA-N 2 2 329.448 2.099 20 30 EEEDLP N#CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000433321969 467317889 /nfs/dbraw/zinc/31/78/89/467317889.db2.gz YRYBOHIUUBKAGV-QGZVFWFLSA-N 2 2 336.443 2.185 20 30 EEEDLP N#CCCn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000433321969 467317890 /nfs/dbraw/zinc/31/78/90/467317890.db2.gz YRYBOHIUUBKAGV-QGZVFWFLSA-N 2 2 336.443 2.185 20 30 EEEDLP C=CCC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000458604632 467865535 /nfs/dbraw/zinc/86/55/35/467865535.db2.gz VNNYNHACHCOROU-UHFFFAOYSA-N 2 2 336.524 2.448 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000575861756 468155249 /nfs/dbraw/zinc/15/52/49/468155249.db2.gz IJJCVFKPXSWYSL-KVSKMBFKSA-N 2 2 330.472 2.370 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000575861756 468155253 /nfs/dbraw/zinc/15/52/53/468155253.db2.gz IJJCVFKPXSWYSL-KVSKMBFKSA-N 2 2 330.472 2.370 20 30 EEEDLP N#Cc1cccc(OCCC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000599472675 469267880 /nfs/dbraw/zinc/26/78/80/469267880.db2.gz LIMNZCDMDCQELX-UHFFFAOYSA-N 2 2 329.444 2.124 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000106340631 526584997 /nfs/dbraw/zinc/58/49/97/526584997.db2.gz WJLFMZCBSZSQNU-UHFFFAOYSA-N 2 2 331.464 2.270 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480755 528353515 /nfs/dbraw/zinc/35/35/15/528353515.db2.gz LYQRGSSMIBHTQW-UHFFFAOYSA-N 2 2 342.487 2.345 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480755 528353523 /nfs/dbraw/zinc/35/35/23/528353523.db2.gz LYQRGSSMIBHTQW-UHFFFAOYSA-N 2 2 342.487 2.345 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000759198836 577638835 /nfs/dbraw/zinc/63/88/35/577638835.db2.gz ICQYTIOEZIKSCS-PMACEKPBSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000759198836 577638836 /nfs/dbraw/zinc/63/88/36/577638836.db2.gz ICQYTIOEZIKSCS-PMACEKPBSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](CC)C1 ZINC000759198836 577638837 /nfs/dbraw/zinc/63/88/37/577638837.db2.gz ICQYTIOEZIKSCS-PMACEKPBSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](CC)C1 ZINC000759198836 577638838 /nfs/dbraw/zinc/63/88/38/577638838.db2.gz ICQYTIOEZIKSCS-PMACEKPBSA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(CC)cc2)C(C)C)CC1 ZINC000748809833 577967066 /nfs/dbraw/zinc/96/70/66/577967066.db2.gz LIPHUBWELUHGSZ-NRFANRHFSA-N 2 2 341.499 2.313 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000819722678 599429953 /nfs/dbraw/zinc/42/99/53/599429953.db2.gz NZARADPINLIQCV-UHFFFAOYSA-N 2 2 342.447 2.005 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982772298 682169386 /nfs/dbraw/zinc/16/93/86/682169386.db2.gz HMCXBFLMLBGCDR-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982772298 682169388 /nfs/dbraw/zinc/16/93/88/682169388.db2.gz HMCXBFLMLBGCDR-KDURUIRLSA-N 2 2 330.476 2.099 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255463 682344801 /nfs/dbraw/zinc/34/48/01/682344801.db2.gz QICJQNOJOYXKFM-MSOLQXFVSA-N 2 2 328.460 2.142 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255463 682344805 /nfs/dbraw/zinc/34/48/05/682344805.db2.gz QICJQNOJOYXKFM-MSOLQXFVSA-N 2 2 328.460 2.142 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293611 682403432 /nfs/dbraw/zinc/40/34/32/682403432.db2.gz SHOXQJLXLCJKQO-QZTJIDSGSA-N 2 2 328.460 2.129 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293611 682403434 /nfs/dbraw/zinc/40/34/34/682403434.db2.gz SHOXQJLXLCJKQO-QZTJIDSGSA-N 2 2 328.460 2.129 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001026562957 684745284 /nfs/dbraw/zinc/74/52/84/684745284.db2.gz XVCYKEHGGOHLQF-NEXFUWMNSA-N 2 2 336.867 2.293 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001027695800 694010533 /nfs/dbraw/zinc/01/05/33/694010533.db2.gz JQDMJDIAGMYOSO-ZWKOTPCHSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001027695800 694010535 /nfs/dbraw/zinc/01/05/35/694010535.db2.gz JQDMJDIAGMYOSO-ZWKOTPCHSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146788 686913439 /nfs/dbraw/zinc/91/34/39/686913439.db2.gz SNUOOQUFASIOFE-QGZVFWFLSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146788 686913444 /nfs/dbraw/zinc/91/34/44/686913444.db2.gz SNUOOQUFASIOFE-QGZVFWFLSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001027542052 692792304 /nfs/dbraw/zinc/79/23/04/692792304.db2.gz HINPZWXFWSPLIU-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001027542052 692792307 /nfs/dbraw/zinc/79/23/07/692792307.db2.gz HINPZWXFWSPLIU-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001027542052 692792312 /nfs/dbraw/zinc/79/23/12/692792312.db2.gz HINPZWXFWSPLIU-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001027542052 692792314 /nfs/dbraw/zinc/79/23/14/692792314.db2.gz HINPZWXFWSPLIU-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088666627 1188074369 /nfs/dbraw/zinc/07/43/69/1188074369.db2.gz MILIMXYBYSCUKL-MNEFBYGVSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088666627 1188074370 /nfs/dbraw/zinc/07/43/70/1188074370.db2.gz MILIMXYBYSCUKL-MNEFBYGVSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088666627 1188074371 /nfs/dbraw/zinc/07/43/71/1188074371.db2.gz MILIMXYBYSCUKL-MNEFBYGVSA-N 2 2 340.471 2.122 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)[C@H]1C ZINC001410929362 1198594092 /nfs/dbraw/zinc/59/40/92/1198594092.db2.gz PCDSLCHVLWPUDN-LPHOPBHVSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)[C@H]1C ZINC001410929362 1198594093 /nfs/dbraw/zinc/59/40/93/1198594093.db2.gz PCDSLCHVLWPUDN-LPHOPBHVSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC001410929362 1198594099 /nfs/dbraw/zinc/59/40/99/1198594099.db2.gz PCDSLCHVLWPUDN-LPHOPBHVSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC001410929362 1198594102 /nfs/dbraw/zinc/59/41/02/1198594102.db2.gz PCDSLCHVLWPUDN-LPHOPBHVSA-N 2 2 342.487 2.369 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880566772 1201524299 /nfs/dbraw/zinc/52/42/99/1201524299.db2.gz APTWGLQGXNWPIK-HKUYNNGSSA-N 2 2 339.443 2.268 20 30 EEEDLP COCCCO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000795056128 1201953099 /nfs/dbraw/zinc/95/30/99/1201953099.db2.gz SXEKCTAGWMJHIJ-UHFFFAOYSA-N 2 2 325.840 2.479 20 30 EEEDLP CCC[N@H+](CC(=O)NCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934191184 1207920287 /nfs/dbraw/zinc/92/02/87/1207920287.db2.gz MRVQWFROZUAVQQ-UHFFFAOYSA-N 2 2 328.460 2.003 20 30 EEEDLP CCC[N@@H+](CC(=O)NCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934191184 1207920289 /nfs/dbraw/zinc/92/02/89/1207920289.db2.gz MRVQWFROZUAVQQ-UHFFFAOYSA-N 2 2 328.460 2.003 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000947767374 1208707510 /nfs/dbraw/zinc/70/75/10/1208707510.db2.gz OAFVATFCVCQPAX-ROUUACIJSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000947767374 1208707513 /nfs/dbraw/zinc/70/75/13/1208707513.db2.gz OAFVATFCVCQPAX-ROUUACIJSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561394 1209223043 /nfs/dbraw/zinc/22/30/43/1209223043.db2.gz KXGCKKJSCWCZEW-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561394 1209223045 /nfs/dbraw/zinc/22/30/45/1209223045.db2.gz KXGCKKJSCWCZEW-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303768937 1213903244 /nfs/dbraw/zinc/90/32/44/1213903244.db2.gz AQOWCDFKRZZMGE-ROUUACIJSA-N 2 2 339.572 2.378 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961220206 1217095033 /nfs/dbraw/zinc/09/50/33/1217095033.db2.gz ROJQCOKOSIBUCY-QZTJIDSGSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961220206 1217095035 /nfs/dbraw/zinc/09/50/35/1217095035.db2.gz ROJQCOKOSIBUCY-QZTJIDSGSA-N 2 2 330.476 2.410 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260339 1217115615 /nfs/dbraw/zinc/11/56/15/1217115615.db2.gz IBWLYDPGYUIEIX-IAGOWNOFSA-N 2 2 342.487 2.271 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260339 1217115617 /nfs/dbraw/zinc/11/56/17/1217115617.db2.gz IBWLYDPGYUIEIX-IAGOWNOFSA-N 2 2 342.487 2.271 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262856 1217116707 /nfs/dbraw/zinc/11/67/07/1217116707.db2.gz QNXBATGIYYKYEF-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262856 1217116710 /nfs/dbraw/zinc/11/67/10/1217116710.db2.gz QNXBATGIYYKYEF-SJORKVTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000964067838 1218224635 /nfs/dbraw/zinc/22/46/35/1218224635.db2.gz UNFNUVOHJUFCLI-XYLATYTLSA-N 2 2 328.460 2.039 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1CC ZINC001037862606 1219611258 /nfs/dbraw/zinc/61/12/58/1219611258.db2.gz MDXYQJQENOAFBF-NVXWUHKLSA-N 2 2 331.460 2.426 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001007641437 1222339715 /nfs/dbraw/zinc/33/97/15/1222339715.db2.gz ABIOVDRHWQNNKW-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001007641437 1222339720 /nfs/dbraw/zinc/33/97/20/1222339720.db2.gz ABIOVDRHWQNNKW-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001007641437 1222339724 /nfs/dbraw/zinc/33/97/24/1222339724.db2.gz ABIOVDRHWQNNKW-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001007641437 1222339726 /nfs/dbraw/zinc/33/97/26/1222339726.db2.gz ABIOVDRHWQNNKW-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001014633736 1226863809 /nfs/dbraw/zinc/86/38/09/1226863809.db2.gz STFKNFDQWNMKDD-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001014633736 1226863813 /nfs/dbraw/zinc/86/38/13/1226863813.db2.gz STFKNFDQWNMKDD-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014633736 1226863818 /nfs/dbraw/zinc/86/38/18/1226863818.db2.gz STFKNFDQWNMKDD-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014633736 1226863821 /nfs/dbraw/zinc/86/38/21/1226863821.db2.gz STFKNFDQWNMKDD-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001054653858 1248809196 /nfs/dbraw/zinc/80/91/96/1248809196.db2.gz DAJRBMKTANSLCR-XHDPSFHLSA-N 2 2 332.835 2.445 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017838763 1227783041 /nfs/dbraw/zinc/78/30/41/1227783041.db2.gz BBDNWJIYEIENLV-ZCNNSNEGSA-N 2 2 343.515 2.482 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017838763 1227783045 /nfs/dbraw/zinc/78/30/45/1227783045.db2.gz BBDNWJIYEIENLV-ZCNNSNEGSA-N 2 2 343.515 2.482 20 30 EEEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838763 1227783047 /nfs/dbraw/zinc/78/30/47/1227783047.db2.gz BBDNWJIYEIENLV-ZCNNSNEGSA-N 2 2 343.515 2.482 20 30 EEEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001017838763 1227783050 /nfs/dbraw/zinc/78/30/50/1227783050.db2.gz BBDNWJIYEIENLV-ZCNNSNEGSA-N 2 2 343.515 2.482 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC001019139685 1228790052 /nfs/dbraw/zinc/79/00/52/1228790052.db2.gz PGWWRLNVJQHKHO-KRWDZBQOSA-N 2 2 345.406 2.210 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038365885 1229771759 /nfs/dbraw/zinc/77/17/59/1229771759.db2.gz CZDMCUYNIASMNM-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038365885 1229771764 /nfs/dbraw/zinc/77/17/64/1229771764.db2.gz CZDMCUYNIASMNM-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038365885 1229771766 /nfs/dbraw/zinc/77/17/66/1229771766.db2.gz CZDMCUYNIASMNM-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038365885 1229771771 /nfs/dbraw/zinc/77/17/71/1229771771.db2.gz CZDMCUYNIASMNM-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048672 1230263018 /nfs/dbraw/zinc/26/30/18/1230263018.db2.gz IZMZGDGFNLHDFE-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048672 1230263022 /nfs/dbraw/zinc/26/30/22/1230263022.db2.gz IZMZGDGFNLHDFE-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039048672 1230263026 /nfs/dbraw/zinc/26/30/26/1230263026.db2.gz IZMZGDGFNLHDFE-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039048672 1230263029 /nfs/dbraw/zinc/26/30/29/1230263029.db2.gz IZMZGDGFNLHDFE-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001039148269 1230366532 /nfs/dbraw/zinc/36/65/32/1230366532.db2.gz JMFUPTHAXUNUFY-QGZVFWFLSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001039148269 1230366538 /nfs/dbraw/zinc/36/65/38/1230366538.db2.gz JMFUPTHAXUNUFY-QGZVFWFLSA-N 2 2 330.476 2.099 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159964 1230380303 /nfs/dbraw/zinc/38/03/03/1230380303.db2.gz CMHYFJQOZPQKME-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159964 1230380305 /nfs/dbraw/zinc/38/03/05/1230380305.db2.gz CMHYFJQOZPQKME-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159964 1230380310 /nfs/dbraw/zinc/38/03/10/1230380310.db2.gz CMHYFJQOZPQKME-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159964 1230380313 /nfs/dbraw/zinc/38/03/13/1230380313.db2.gz CMHYFJQOZPQKME-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375826 1230562394 /nfs/dbraw/zinc/56/23/94/1230562394.db2.gz YYPYTCUTPDQQJF-MSOLQXFVSA-N 2 2 336.439 2.345 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375826 1230562396 /nfs/dbraw/zinc/56/23/96/1230562396.db2.gz YYPYTCUTPDQQJF-MSOLQXFVSA-N 2 2 336.439 2.345 20 30 EEEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001040472279 1231250563 /nfs/dbraw/zinc/25/05/63/1231250563.db2.gz XFCRQDHXHFTEBD-OAQYLSRUSA-N 2 2 348.450 2.434 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001040472279 1231250567 /nfs/dbraw/zinc/25/05/67/1231250567.db2.gz XFCRQDHXHFTEBD-OAQYLSRUSA-N 2 2 348.450 2.434 20 30 EEEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001040876400 1231393578 /nfs/dbraw/zinc/39/35/78/1231393578.db2.gz FWGSHBHHHRQLFN-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040876400 1231393582 /nfs/dbraw/zinc/39/35/82/1231393582.db2.gz FWGSHBHHHRQLFN-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001042095732 1231884938 /nfs/dbraw/zinc/88/49/38/1231884938.db2.gz OVFLAPWDWYBRRY-HOCLYGCPSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042095732 1231884939 /nfs/dbraw/zinc/88/49/39/1231884939.db2.gz OVFLAPWDWYBRRY-HOCLYGCPSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095732 1231884940 /nfs/dbraw/zinc/88/49/40/1231884940.db2.gz OVFLAPWDWYBRRY-HOCLYGCPSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095732 1231884944 /nfs/dbraw/zinc/88/49/44/1231884944.db2.gz OVFLAPWDWYBRRY-HOCLYGCPSA-N 2 2 325.884 2.146 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045967937 1234249083 /nfs/dbraw/zinc/24/90/83/1234249083.db2.gz FUMALIIDEMVWKB-MBOZVWFJSA-N 2 2 342.487 2.414 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045967937 1234249084 /nfs/dbraw/zinc/24/90/84/1234249084.db2.gz FUMALIIDEMVWKB-MBOZVWFJSA-N 2 2 342.487 2.414 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC=C(C)C ZINC001049529431 1241264751 /nfs/dbraw/zinc/26/47/51/1241264751.db2.gz MYLCOWBWCYPCAE-QYZOEREBSA-N 2 2 329.488 2.116 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC=C(C)C ZINC001049529431 1241264758 /nfs/dbraw/zinc/26/47/58/1241264758.db2.gz MYLCOWBWCYPCAE-QYZOEREBSA-N 2 2 329.488 2.116 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC=C(C)C ZINC001049529431 1241264764 /nfs/dbraw/zinc/26/47/64/1241264764.db2.gz MYLCOWBWCYPCAE-QYZOEREBSA-N 2 2 329.488 2.116 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC=C(C)C ZINC001049529431 1241264768 /nfs/dbraw/zinc/26/47/68/1241264768.db2.gz MYLCOWBWCYPCAE-QYZOEREBSA-N 2 2 329.488 2.116 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049732413 1242028654 /nfs/dbraw/zinc/02/86/54/1242028654.db2.gz ARTTUSXEVDMZAS-NCOADZHNSA-N 2 2 328.460 2.165 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049732413 1242028667 /nfs/dbraw/zinc/02/86/67/1242028667.db2.gz ARTTUSXEVDMZAS-NCOADZHNSA-N 2 2 328.460 2.165 20 30 EEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001097364394 1244081313 /nfs/dbraw/zinc/08/13/13/1244081313.db2.gz WSXDOFAHWDQQJZ-IDCNUPLLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001097364394 1244081320 /nfs/dbraw/zinc/08/13/20/1244081320.db2.gz WSXDOFAHWDQQJZ-IDCNUPLLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001101260700 1245585111 /nfs/dbraw/zinc/58/51/11/1245585111.db2.gz JOKYLHVPOGIAHN-MDZRGWNJSA-N 2 2 330.476 2.477 20 30 EEEDLP 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CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001101548855 1245952647 /nfs/dbraw/zinc/95/26/47/1245952647.db2.gz MZHTXGVSOGSXJI-IAGOWNOFSA-N 2 2 342.487 2.391 20 30 EEEDLP C=CCOCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579259 1245985268 /nfs/dbraw/zinc/98/52/68/1245985268.db2.gz ALIRAQSNDIAPDP-UHFFFAOYSA-N 2 2 348.491 2.009 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)CO2 ZINC001053979721 1247101927 /nfs/dbraw/zinc/10/19/27/1247101927.db2.gz AKJOARORPCQEKV-ZWKOTPCHSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)CO2 ZINC001053979721 1247101930 /nfs/dbraw/zinc/10/19/30/1247101930.db2.gz AKJOARORPCQEKV-ZWKOTPCHSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001054155176 1247548778 /nfs/dbraw/zinc/54/87/78/1247548778.db2.gz LFLAOKBDSNMKDD-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001054155176 1247548791 /nfs/dbraw/zinc/54/87/91/1247548791.db2.gz LFLAOKBDSNMKDD-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001203307327 1284207907 /nfs/dbraw/zinc/20/79/07/1284207907.db2.gz BQBCWFQMUMSJNL-UHFFFAOYSA-N 2 2 339.443 2.428 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1 ZINC001110510141 1285189157 /nfs/dbraw/zinc/18/91/57/1285189157.db2.gz AKQXYWQKHNYNTB-KURKYZTESA-N 2 2 349.438 2.136 20 30 EEEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1 ZINC001110510141 1285189164 /nfs/dbraw/zinc/18/91/64/1285189164.db2.gz AKQXYWQKHNYNTB-KURKYZTESA-N 2 2 349.438 2.136 20 30 EEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001071981657 1295065379 /nfs/dbraw/zinc/06/53/79/1295065379.db2.gz JXUPBVDAYVLZTL-HUUCEWRRSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001071981657 1295065392 /nfs/dbraw/zinc/06/53/92/1295065392.db2.gz JXUPBVDAYVLZTL-HUUCEWRRSA-N 2 2 325.416 2.036 20 30 EEEDLP C#Cc1cccc(C[N@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)c1 ZINC001276715306 1296636470 /nfs/dbraw/zinc/63/64/70/1296636470.db2.gz BWXPLLJATOPJQE-NRFANRHFSA-N 2 2 348.450 2.132 20 30 EEEDLP C#Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)c1 ZINC001276715306 1296636481 /nfs/dbraw/zinc/63/64/81/1296636481.db2.gz BWXPLLJATOPJQE-NRFANRHFSA-N 2 2 348.450 2.132 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830289 1297308262 /nfs/dbraw/zinc/30/82/62/1297308262.db2.gz OCZKNYGNEJQULQ-GDBMZVCRSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830289 1297308275 /nfs/dbraw/zinc/30/82/75/1297308275.db2.gz OCZKNYGNEJQULQ-GDBMZVCRSA-N 2 2 333.501 2.119 20 30 EEEDLP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218540877 1297704270 /nfs/dbraw/zinc/70/42/70/1297704270.db2.gz GSJWRQCCLHDJOB-UHFFFAOYSA-N 2 2 344.415 2.445 20 30 EEEDLP N#Cc1c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)sc2c1CCC2 ZINC001218548714 1297708867 /nfs/dbraw/zinc/70/88/67/1297708867.db2.gz QNESXXFNOZOBBN-CQSZACIVSA-N 2 2 326.425 2.319 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001223661745 1300216493 /nfs/dbraw/zinc/21/64/93/1300216493.db2.gz XTSMZRJLRITDOT-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCCCC1 ZINC001115546586 1305318509 /nfs/dbraw/zinc/31/85/09/1305318509.db2.gz UBDDZCWYLQOJBV-KRWDZBQOSA-N 2 2 345.491 2.385 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCCCC1 ZINC001115546586 1305318517 /nfs/dbraw/zinc/31/85/17/1305318517.db2.gz UBDDZCWYLQOJBV-KRWDZBQOSA-N 2 2 345.491 2.385 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)CO)C3)cc1C#N ZINC001277967564 1305378400 /nfs/dbraw/zinc/37/84/00/1305378400.db2.gz BIFZDGGNCWNGLR-HXUWFJFHSA-N 2 2 344.503 2.203 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)CO)C3)cc1C#N ZINC001277967564 1305378412 /nfs/dbraw/zinc/37/84/12/1305378412.db2.gz BIFZDGGNCWNGLR-HXUWFJFHSA-N 2 2 344.503 2.203 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)CO)C3)cc1C#N ZINC001277967564 1305378425 /nfs/dbraw/zinc/37/84/25/1305378425.db2.gz BIFZDGGNCWNGLR-HXUWFJFHSA-N 2 2 344.503 2.203 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)CO)C3)cc1C#N ZINC001277967564 1305378438 /nfs/dbraw/zinc/37/84/38/1305378438.db2.gz BIFZDGGNCWNGLR-HXUWFJFHSA-N 2 2 344.503 2.203 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458253 1309554402 /nfs/dbraw/zinc/55/44/02/1309554402.db2.gz DLKJSLDEFIGLHR-OALUTQOASA-N 2 2 342.487 2.390 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458253 1309554409 /nfs/dbraw/zinc/55/44/09/1309554409.db2.gz DLKJSLDEFIGLHR-OALUTQOASA-N 2 2 342.487 2.390 20 30 EEEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001121118082 1309921737 /nfs/dbraw/zinc/92/17/37/1309921737.db2.gz XWPUWOBJZJRBEO-UHFFFAOYSA-N 2 2 336.439 2.297 20 30 EEEDLP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652636 1316007253 /nfs/dbraw/zinc/00/72/53/1316007253.db2.gz DAFFNQBCEQVBMM-QGZVFWFLSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652636 1316007256 /nfs/dbraw/zinc/00/72/56/1316007256.db2.gz DAFFNQBCEQVBMM-QGZVFWFLSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001151180711 1316468981 /nfs/dbraw/zinc/46/89/81/1316468981.db2.gz XPGFHMUFYOSAJJ-UHFFFAOYSA-N 2 2 342.443 2.350 20 30 EEEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001151351615 1316510326 /nfs/dbraw/zinc/51/03/26/1316510326.db2.gz CXPCITFOGZRHTD-QGZVFWFLSA-N 2 2 348.491 2.398 20 30 EEEDLP CCCc1cc(C#N)c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc1Cl ZINC001155375657 1317570171 /nfs/dbraw/zinc/57/01/71/1317570171.db2.gz GRKOWAIYIGEHGV-MRXNPFEDSA-N 2 2 347.894 2.418 20 30 EEEDLP C=CCC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)(COC)CC1 ZINC001162512759 1320882548 /nfs/dbraw/zinc/88/25/48/1320882548.db2.gz CVIMXFQXCWEUAS-QGZVFWFLSA-N 2 2 348.491 2.255 20 30 EEEDLP C=CCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)(COC)CC1 ZINC001162629248 1320916246 /nfs/dbraw/zinc/91/62/46/1320916246.db2.gz RDSJEHFNHSEZKK-UHFFFAOYSA-N 2 2 348.491 2.084 20 30 EEEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001162841307 1320971699 /nfs/dbraw/zinc/97/16/99/1320971699.db2.gz QKTIEKFQZWXRTR-UHFFFAOYSA-N 2 2 346.434 2.471 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001203138901 1321668403 /nfs/dbraw/zinc/66/84/03/1321668403.db2.gz SGVPRWDJCLQIAM-KRWDZBQOSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203669057 1321936389 /nfs/dbraw/zinc/93/63/89/1321936389.db2.gz KQKRQVBTIVPDDF-DLBZAZTESA-N 2 2 330.476 2.336 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556021 1323192701 /nfs/dbraw/zinc/19/27/01/1323192701.db2.gz ICWLIKLNXDLJGG-INIZCTEOSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556021 1323192708 /nfs/dbraw/zinc/19/27/08/1323192708.db2.gz ICWLIKLNXDLJGG-INIZCTEOSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC001202940714 1372509406 /nfs/dbraw/zinc/50/94/06/1372509406.db2.gz SVPZLEHBWZSDSJ-DLBZAZTESA-N 2 2 342.487 2.355 20 30 EEEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001140757851 1372665971 /nfs/dbraw/zinc/66/59/71/1372665971.db2.gz ULTGEOLWMAOMGN-UHFFFAOYSA-N 2 2 334.370 2.466 20 30 EEEDLP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001366892027 1374051871 /nfs/dbraw/zinc/05/18/71/1374051871.db2.gz BORNRITYBHUTBM-RHSMWYFYSA-N 2 2 348.516 2.287 20 30 EEEDLP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001366892027 1374051876 /nfs/dbraw/zinc/05/18/76/1374051876.db2.gz BORNRITYBHUTBM-RHSMWYFYSA-N 2 2 348.516 2.287 20 30 EEEDLP C#CCC[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCCCC1 ZINC001753749099 1406770670 /nfs/dbraw/zinc/77/06/70/1406770670.db2.gz CHJAFDKRISPVSZ-SFHVURJKSA-N 2 2 330.476 2.031 20 30 EEEDLP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001755187109 1407192895 /nfs/dbraw/zinc/19/28/95/1407192895.db2.gz VTOMJSXRSQIVNN-YLJYHZDGSA-N 2 2 338.455 2.301 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075451546 760484946 /nfs/dbraw/zinc/48/49/46/760484946.db2.gz XBXJQQJLRSLKMZ-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075451546 760484953 /nfs/dbraw/zinc/48/49/53/760484953.db2.gz XBXJQQJLRSLKMZ-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075453935 760707451 /nfs/dbraw/zinc/70/74/51/760707451.db2.gz HBBHGYFQUXRFRM-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075453935 760707454 /nfs/dbraw/zinc/70/74/54/760707454.db2.gz HBBHGYFQUXRFRM-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075453935 760707457 /nfs/dbraw/zinc/70/74/57/760707457.db2.gz HBBHGYFQUXRFRM-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075453935 760707461 /nfs/dbraw/zinc/70/74/61/760707461.db2.gz HBBHGYFQUXRFRM-KRWDZBQOSA-N 2 2 342.487 2.316 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001027972608 775464062 /nfs/dbraw/zinc/46/40/62/775464062.db2.gz WZQFXHUPRQHPMF-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001027972608 775464067 /nfs/dbraw/zinc/46/40/67/775464067.db2.gz WZQFXHUPRQHPMF-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001027972608 775464072 /nfs/dbraw/zinc/46/40/72/775464072.db2.gz WZQFXHUPRQHPMF-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027972608 775464074 /nfs/dbraw/zinc/46/40/74/775464074.db2.gz WZQFXHUPRQHPMF-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000981920300 778534513 /nfs/dbraw/zinc/53/45/13/778534513.db2.gz FIJITWVBJMXOFR-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000981920300 778534518 /nfs/dbraw/zinc/53/45/18/778534518.db2.gz FIJITWVBJMXOFR-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231057 779434843 /nfs/dbraw/zinc/43/48/43/779434843.db2.gz WCFOEXFJPRZGQU-INIZCTEOSA-N 2 2 345.834 2.214 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231057 779434844 /nfs/dbraw/zinc/43/48/44/779434844.db2.gz WCFOEXFJPRZGQU-INIZCTEOSA-N 2 2 345.834 2.214 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001136031743 785012837 /nfs/dbraw/zinc/01/28/37/785012837.db2.gz PLZWPZMQNXRWBJ-NWDGAFQWSA-N 2 2 345.472 2.267 20 30 EEEDLP C=C(C)C[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696688 789334975 /nfs/dbraw/zinc/33/49/75/789334975.db2.gz BRNOLNNBMMCQDT-OALUTQOASA-N 2 2 327.472 2.432 20 30 EEEDLP C=C(C)C[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696688 789334982 /nfs/dbraw/zinc/33/49/82/789334982.db2.gz BRNOLNNBMMCQDT-OALUTQOASA-N 2 2 327.472 2.432 20 30 EEEDLP C=C(C)C[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696688 789334990 /nfs/dbraw/zinc/33/49/90/789334990.db2.gz BRNOLNNBMMCQDT-OALUTQOASA-N 2 2 327.472 2.432 20 30 EEEDLP C=C(C)C[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696688 789334997 /nfs/dbraw/zinc/33/49/97/789334997.db2.gz BRNOLNNBMMCQDT-OALUTQOASA-N 2 2 327.472 2.432 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001147804341 791944466 /nfs/dbraw/zinc/94/44/66/791944466.db2.gz KPBDKYADMFOAPG-SJORKVTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001147804341 791944470 /nfs/dbraw/zinc/94/44/70/791944470.db2.gz KPBDKYADMFOAPG-SJORKVTESA-N 2 2 342.487 2.335 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948358 793070212 /nfs/dbraw/zinc/07/02/12/793070212.db2.gz WTIBALGIBNGXAE-SJORKVTESA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948358 793070221 /nfs/dbraw/zinc/07/02/21/793070221.db2.gz WTIBALGIBNGXAE-SJORKVTESA-N 2 2 342.487 2.315 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676920 794223080 /nfs/dbraw/zinc/22/30/80/794223080.db2.gz PVDRELLCIBRFMD-BPLDGKMQSA-N 2 2 336.867 2.197 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676920 794223089 /nfs/dbraw/zinc/22/30/89/794223089.db2.gz PVDRELLCIBRFMD-BPLDGKMQSA-N 2 2 336.867 2.197 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC000999411479 794427889 /nfs/dbraw/zinc/42/78/89/794427889.db2.gz KAPMEFVDVFLAMM-KZNAEPCWSA-N 2 2 349.438 2.166 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC000999411479 794427895 /nfs/dbraw/zinc/42/78/95/794427895.db2.gz KAPMEFVDVFLAMM-KZNAEPCWSA-N 2 2 349.438 2.166 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC001036720684 794624213 /nfs/dbraw/zinc/62/42/13/794624213.db2.gz YVZXPGCQCQOSRN-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC001036720684 794624217 /nfs/dbraw/zinc/62/42/17/794624217.db2.gz YVZXPGCQCQOSRN-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC001000206032 795521878 /nfs/dbraw/zinc/52/18/78/795521878.db2.gz XPYZDWOBMJLBOB-MRXNPFEDSA-N 2 2 342.487 2.382 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491624 795706127 /nfs/dbraw/zinc/70/61/27/795706127.db2.gz PEBVDSLXAQCFEO-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001094439415 796244693 /nfs/dbraw/zinc/24/46/93/796244693.db2.gz IEPIDKYLBPKFSU-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001094439415 796244694 /nfs/dbraw/zinc/24/46/94/796244694.db2.gz IEPIDKYLBPKFSU-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001094439415 796244696 /nfs/dbraw/zinc/24/46/96/796244696.db2.gz IEPIDKYLBPKFSU-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001094439415 796244698 /nfs/dbraw/zinc/24/46/98/796244698.db2.gz IEPIDKYLBPKFSU-FXRXJOCMSA-N 2 2 328.460 2.450 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993339053 796426541 /nfs/dbraw/zinc/42/65/41/796426541.db2.gz QVFGDNRAHIKZIQ-DOTOQJQBSA-N 2 2 330.476 2.307 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160463 796492548 /nfs/dbraw/zinc/49/25/48/796492548.db2.gz QAWKHNFZENEAAW-YDZRNGNQSA-N 2 2 325.456 2.034 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160463 796492549 /nfs/dbraw/zinc/49/25/49/796492549.db2.gz QAWKHNFZENEAAW-YDZRNGNQSA-N 2 2 325.456 2.034 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605055 796657358 /nfs/dbraw/zinc/65/73/58/796657358.db2.gz MHFNDLOFKSTXQS-HOCLYGCPSA-N 2 2 330.476 2.111 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605055 796657359 /nfs/dbraw/zinc/65/73/59/796657359.db2.gz MHFNDLOFKSTXQS-HOCLYGCPSA-N 2 2 330.476 2.111 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078657167 796777687 /nfs/dbraw/zinc/77/76/87/796777687.db2.gz QFOAFKHZWIPKRD-IAGOWNOFSA-N 2 2 329.444 2.226 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553372 798272229 /nfs/dbraw/zinc/27/22/29/798272229.db2.gz HRARHSSHHXKUQF-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553372 798272230 /nfs/dbraw/zinc/27/22/30/798272230.db2.gz HRARHSSHHXKUQF-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176144537 798347069 /nfs/dbraw/zinc/34/70/69/798347069.db2.gz RKXLASGSTXIKPE-HNNXBMFYSA-N 2 2 327.432 2.332 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177437181 798968545 /nfs/dbraw/zinc/96/85/45/798968545.db2.gz OJRFTKHMZXNHJG-MRXNPFEDSA-N 2 2 330.476 2.220 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177437181 798968549 /nfs/dbraw/zinc/96/85/49/798968549.db2.gz OJRFTKHMZXNHJG-MRXNPFEDSA-N 2 2 330.476 2.220 20 30 EEEDLP C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128467547 799746386 /nfs/dbraw/zinc/74/63/86/799746386.db2.gz VYKCIROCVPWJSX-UHFFFAOYSA-N 2 2 347.507 2.013 20 30 EEEDLP C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128467547 799746388 /nfs/dbraw/zinc/74/63/88/799746388.db2.gz VYKCIROCVPWJSX-UHFFFAOYSA-N 2 2 347.507 2.013 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003622633 799902468 /nfs/dbraw/zinc/90/24/68/799902468.db2.gz XERYKXXMAJUVEL-CQSZACIVSA-N 2 2 336.867 2.087 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003955492 800615868 /nfs/dbraw/zinc/61/58/68/800615868.db2.gz LNRMTXCVGBURFV-UHFFFAOYSA-N 2 2 325.416 2.038 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001085646508 800966134 /nfs/dbraw/zinc/96/61/34/800966134.db2.gz DYXYQJKGYGHNGV-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001085646508 800966138 /nfs/dbraw/zinc/96/61/38/800966138.db2.gz DYXYQJKGYGHNGV-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1csc(C)c1 ZINC001085646508 800966143 /nfs/dbraw/zinc/96/61/43/800966143.db2.gz DYXYQJKGYGHNGV-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1csc(C)c1 ZINC001085646508 800966147 /nfs/dbraw/zinc/96/61/47/800966147.db2.gz DYXYQJKGYGHNGV-ROUUACIJSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651936 802117138 /nfs/dbraw/zinc/11/71/38/802117138.db2.gz IZDAFENOCPBLEK-RDJZCZTQSA-N 2 2 330.476 2.024 20 30 EEEDLP N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004477315 802178920 /nfs/dbraw/zinc/17/89/20/802178920.db2.gz PTMGTVFUCCCYOI-SFHVURJKSA-N 2 2 337.427 2.174 20 30 EEEDLP N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001004477315 802178924 /nfs/dbraw/zinc/17/89/24/802178924.db2.gz PTMGTVFUCCCYOI-SFHVURJKSA-N 2 2 337.427 2.174 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308068 805264226 /nfs/dbraw/zinc/26/42/26/805264226.db2.gz NJYZGPINFLBMQP-YVSFHVDLSA-N 2 2 328.460 2.141 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308068 805264235 /nfs/dbraw/zinc/26/42/35/805264235.db2.gz NJYZGPINFLBMQP-YVSFHVDLSA-N 2 2 328.460 2.141 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001437675017 1090205988 /nfs/dbraw/zinc/20/59/88/1090205988.db2.gz DKMJXOWNHKYTCJ-ZIAGYGMSSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001437675017 1090205989 /nfs/dbraw/zinc/20/59/89/1090205989.db2.gz DKMJXOWNHKYTCJ-ZIAGYGMSSA-N 2 2 346.313 2.062 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[NH+]1C ZINC001438888494 1091531863 /nfs/dbraw/zinc/53/18/63/1091531863.db2.gz AVXRWKMJCRAPRP-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[NH+]1C ZINC001438888494 1091531866 /nfs/dbraw/zinc/53/18/66/1091531866.db2.gz AVXRWKMJCRAPRP-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001438888494 1091531872 /nfs/dbraw/zinc/53/18/72/1091531872.db2.gz AVXRWKMJCRAPRP-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCC[N@H+]1C ZINC001438888494 1091531880 /nfs/dbraw/zinc/53/18/80/1091531880.db2.gz AVXRWKMJCRAPRP-GOSISDBHSA-N 2 2 346.450 2.072 20 30 EEEDLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001441022508 1094307412 /nfs/dbraw/zinc/30/74/12/1094307412.db2.gz IJOXHPMDQNNVEY-AWEZNQCLSA-N 2 2 345.472 2.233 20 30 EEEDLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001441022508 1094307419 /nfs/dbraw/zinc/30/74/19/1094307419.db2.gz IJOXHPMDQNNVEY-AWEZNQCLSA-N 2 2 345.472 2.233 20 30 EEEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000292183958 268182827 /nfs/dbraw/zinc/18/28/27/268182827.db2.gz MPUNTRLIEOLCFT-QGZVFWFLSA-N 2 2 346.394 2.187 20 30 EEEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000292183958 268182828 /nfs/dbraw/zinc/18/28/28/268182828.db2.gz MPUNTRLIEOLCFT-QGZVFWFLSA-N 2 2 346.394 2.187 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378246410 277399983 /nfs/dbraw/zinc/39/99/83/277399983.db2.gz HHCXFQZACKGMAG-ZHALLVOQSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378246410 277399985 /nfs/dbraw/zinc/39/99/85/277399985.db2.gz HHCXFQZACKGMAG-ZHALLVOQSA-N 2 2 329.444 2.250 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn4c(n3)CCCC4)CC2)CC1 ZINC000328704429 465105687 /nfs/dbraw/zinc/10/56/87/465105687.db2.gz KPJXXRLHWYSMAS-UHFFFAOYSA-N 2 2 345.491 2.083 20 30 EEEDLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCOCCC#N)CC2 ZINC000339175201 465126188 /nfs/dbraw/zinc/12/61/88/465126188.db2.gz PORHEZHPISNYBV-OAHLLOKOSA-N 2 2 334.489 2.360 20 30 EEEDLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCOCCC#N)CC2 ZINC000339175201 465126194 /nfs/dbraw/zinc/12/61/94/465126194.db2.gz PORHEZHPISNYBV-OAHLLOKOSA-N 2 2 334.489 2.360 20 30 EEEDLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797491 465131866 /nfs/dbraw/zinc/13/18/66/465131866.db2.gz VUMJWBNKKVQBHV-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797491 465131867 /nfs/dbraw/zinc/13/18/67/465131867.db2.gz VUMJWBNKKVQBHV-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797491 465131868 /nfs/dbraw/zinc/13/18/68/465131868.db2.gz VUMJWBNKKVQBHV-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797491 465131870 /nfs/dbraw/zinc/13/18/70/465131870.db2.gz VUMJWBNKKVQBHV-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000329051546 465217688 /nfs/dbraw/zinc/21/76/88/465217688.db2.gz HFHUYRDHTHXASQ-OAHLLOKOSA-N 2 2 331.464 2.235 20 30 EEEDLP Cn1c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2[nH+]c1C(C)(C)C ZINC000521427465 468313177 /nfs/dbraw/zinc/31/31/77/468313177.db2.gz DODYQSFSKNHFAG-OAHLLOKOSA-N 2 2 343.475 2.489 20 30 EEEDLP Cn1c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2[nH+]c1C(C)(C)C ZINC000521427465 468313184 /nfs/dbraw/zinc/31/31/84/468313184.db2.gz DODYQSFSKNHFAG-OAHLLOKOSA-N 2 2 343.475 2.489 20 30 EEEDLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)c(F)c1 ZINC000579227664 468328443 /nfs/dbraw/zinc/32/84/43/468328443.db2.gz XOPPVXYBORJDAU-NSHDSACASA-N 2 2 328.395 2.133 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634203 463474999 /nfs/dbraw/zinc/47/49/99/463474999.db2.gz KLFGKLFCFZHOHK-SJLPKXTDSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634203 463475002 /nfs/dbraw/zinc/47/50/02/463475002.db2.gz KLFGKLFCFZHOHK-SJLPKXTDSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634203 463475006 /nfs/dbraw/zinc/47/50/06/463475006.db2.gz KLFGKLFCFZHOHK-SJLPKXTDSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634203 463475011 /nfs/dbraw/zinc/47/50/11/463475011.db2.gz KLFGKLFCFZHOHK-SJLPKXTDSA-N 2 2 346.519 2.381 20 30 EEEDLP CC[NH+]=C(NCc1ccn(C)c1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261972150 463914902 /nfs/dbraw/zinc/91/49/02/463914902.db2.gz NBSFEBBESUNVFW-NVXWUHKLSA-N 2 2 328.464 2.270 20 30 EEEDLP CC(C)N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000271878902 464396931 /nfs/dbraw/zinc/39/69/31/464396931.db2.gz OVNWBGAPFIJEKS-LJQANCHMSA-N 2 2 340.471 2.122 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000182020893 464553236 /nfs/dbraw/zinc/55/32/36/464553236.db2.gz NBBOLWFETHITLK-LJQANCHMSA-N 2 2 335.455 2.393 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984920 464670703 /nfs/dbraw/zinc/67/07/03/464670703.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000294984920 464670705 /nfs/dbraw/zinc/67/07/05/464670705.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[N@@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000294984920 464670708 /nfs/dbraw/zinc/67/07/08/464670708.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000294984920 464670710 /nfs/dbraw/zinc/67/07/10/464670710.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 2 349.906 2.256 20 30 EEEDLP C#CC[NH+](C)CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000294984920 464670711 /nfs/dbraw/zinc/67/07/11/464670711.db2.gz KWQDYKKLXZEWLP-OALUTQOASA-N 2 2 349.906 2.256 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215299 464738372 /nfs/dbraw/zinc/73/83/72/464738372.db2.gz ZNXAHJTYEGEUDL-IXDOHACOSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215299 464738380 /nfs/dbraw/zinc/73/83/80/464738380.db2.gz ZNXAHJTYEGEUDL-IXDOHACOSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248215299 464738385 /nfs/dbraw/zinc/73/83/85/464738385.db2.gz ZNXAHJTYEGEUDL-IXDOHACOSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248215299 464738393 /nfs/dbraw/zinc/73/83/93/464738393.db2.gz ZNXAHJTYEGEUDL-IXDOHACOSA-N 2 2 332.492 2.134 20 30 EEEDLP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192357389 464911712 /nfs/dbraw/zinc/91/17/12/464911712.db2.gz BDIUGXUGWJCFAY-FQEVSTJZSA-N 2 2 338.455 2.277 20 30 EEEDLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192357389 464911717 /nfs/dbraw/zinc/91/17/17/464911717.db2.gz BDIUGXUGWJCFAY-FQEVSTJZSA-N 2 2 338.455 2.277 20 30 EEEDLP C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000329711360 465412451 /nfs/dbraw/zinc/41/24/51/465412451.db2.gz OMHSOLKQFPXANX-LLVKDONJSA-N 2 2 345.369 2.099 20 30 EEEDLP C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000329711360 465412456 /nfs/dbraw/zinc/41/24/56/465412456.db2.gz OMHSOLKQFPXANX-LLVKDONJSA-N 2 2 345.369 2.099 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccc(O)cc3)CC2)CC1 ZINC000329909354 465471316 /nfs/dbraw/zinc/47/13/16/465471316.db2.gz UYVPADCQRHFACE-UHFFFAOYSA-N 2 2 347.459 2.286 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C#N)CCCCC1 ZINC000597226937 468487821 /nfs/dbraw/zinc/48/78/21/468487821.db2.gz OTFRHXJSPLCZBF-UHFFFAOYSA-N 2 2 334.508 2.335 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C#N)CCCCC1 ZINC000597226937 468487825 /nfs/dbraw/zinc/48/78/25/468487825.db2.gz OTFRHXJSPLCZBF-UHFFFAOYSA-N 2 2 334.508 2.335 20 30 EEEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000424139638 466988067 /nfs/dbraw/zinc/98/80/67/466988067.db2.gz DMUPKYSILULPPC-QGZVFWFLSA-N 2 2 339.443 2.153 20 30 EEEDLP C=CCn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000424166351 466994636 /nfs/dbraw/zinc/99/46/36/466994636.db2.gz APUVWXMFKJRWFK-UHFFFAOYSA-N 2 2 325.460 2.261 20 30 EEEDLP C=C(C)C[C@H](C)C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000515177813 467977798 /nfs/dbraw/zinc/97/77/98/467977798.db2.gz RNPNCIPLHLQBIO-HOTGVXAUSA-N 2 2 330.476 2.493 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000610571736 469005458 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329.444 2.020 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000730095488 576713954 /nfs/dbraw/zinc/71/39/54/576713954.db2.gz GOXLDIFLLNFFMO-DLBZAZTESA-N 2 2 329.444 2.020 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCC)c2ccc(F)cc2F)CC1 ZINC000775542535 577439217 /nfs/dbraw/zinc/43/92/17/577439217.db2.gz MZJADUWUXAWALP-GOSISDBHSA-N 2 2 349.425 2.173 20 30 EEEDLP C=C(C[NH+](C)C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000764611715 577739945 /nfs/dbraw/zinc/73/99/45/577739945.db2.gz KAOOACQZPDOHSX-UHFFFAOYSA-N 2 2 326.444 2.250 20 30 EEEDLP CC(C)(C)OCCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000756863883 577851904 /nfs/dbraw/zinc/85/19/04/577851904.db2.gz RUYHOUWOECHTKD-UHFFFAOYSA-N 2 2 349.475 2.361 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001021590459 676245378 /nfs/dbraw/zinc/24/53/78/676245378.db2.gz GBHGIFKEGUJHCE-WMZOPIPTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 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C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001032118205 1192636985 /nfs/dbraw/zinc/63/69/85/1192636985.db2.gz WLAAJIDKTUPTSO-MRXNPFEDSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032118205 1192636989 /nfs/dbraw/zinc/63/69/89/1192636989.db2.gz WLAAJIDKTUPTSO-MRXNPFEDSA-N 2 2 327.900 2.442 20 30 EEEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584174 1188193267 /nfs/dbraw/zinc/19/32/67/1188193267.db2.gz FERSXGJIMAVGDY-KRWDZBQOSA-N 2 2 328.460 2.047 20 30 EEEDLP CCCCCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272478526 1190843603 /nfs/dbraw/zinc/84/36/03/1190843603.db2.gz MDVZWTMTDXRYPQ-LJQANCHMSA-N 2 2 348.491 2.157 20 30 EEEDLP CCCCCCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272478526 1190843605 /nfs/dbraw/zinc/84/36/05/1190843605.db2.gz MDVZWTMTDXRYPQ-LJQANCHMSA-N 2 2 348.491 2.157 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353269 1194473645 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YLFWLHQCDMHJAI-HRCADAONSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033938554 1195563197 /nfs/dbraw/zinc/56/31/97/1195563197.db2.gz YLFWLHQCDMHJAI-HRCADAONSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033938554 1195563199 /nfs/dbraw/zinc/56/31/99/1195563199.db2.gz YLFWLHQCDMHJAI-HRCADAONSA-N 2 2 327.900 2.392 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034003438 1195645309 /nfs/dbraw/zinc/64/53/09/1195645309.db2.gz DCUVHODBZWGVEI-LJQANCHMSA-N 2 2 336.439 2.432 20 30 EEEDLP CC[C@H]1CN(C(NCCc2cn3c([nH+]2)CCCC3)=[NH+]C)CCS1 ZINC000124222175 1198355857 /nfs/dbraw/zinc/35/58/57/1198355857.db2.gz MWCGLDAGEQMCCN-HNNXBMFYSA-N 2 2 335.521 2.165 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235012 1199413785 /nfs/dbraw/zinc/41/37/85/1199413785.db2.gz LUWXODZNMGQVOB-CHWSQXEVSA-N 2 2 345.472 2.349 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132823458 1200072585 /nfs/dbraw/zinc/07/25/85/1200072585.db2.gz GKKCAQDYHLDEJX-MAUKXSAKSA-N 2 2 338.455 2.354 20 30 EEEDLP C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001275540976 1205402388 /nfs/dbraw/zinc/40/23/88/1205402388.db2.gz KQFLDJLYIHNJFE-LJQANCHMSA-N 2 2 348.450 2.224 20 30 EEEDLP N#CC1(CCCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000930071128 1206532823 /nfs/dbraw/zinc/53/28/23/1206532823.db2.gz CDWGWUOGLQKSRQ-QGZVFWFLSA-N 2 2 332.492 2.265 20 30 EEEDLP N#CC1(CCCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000930071128 1206532825 /nfs/dbraw/zinc/53/28/25/1206532825.db2.gz CDWGWUOGLQKSRQ-QGZVFWFLSA-N 2 2 332.492 2.265 20 30 EEEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001015706295 1225575009 /nfs/dbraw/zinc/57/50/09/1225575009.db2.gz UDHFNAYWIXBEPK-CQSZACIVSA-N 2 2 346.500 2.042 20 30 EEEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 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/nfs/dbraw/zinc/54/10/41/1278541041.db2.gz GAYYORHITJBXQK-JTDSTZFVSA-N 2 2 345.491 2.118 20 30 EEEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001187051341 1279365614 /nfs/dbraw/zinc/36/56/14/1279365614.db2.gz MZUJEBKOGJNMER-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748392 1294145158 /nfs/dbraw/zinc/14/51/58/1294145158.db2.gz ARELNGWVMFUKBW-UNEWFSDZSA-N 2 2 332.448 2.038 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748392 1294145166 /nfs/dbraw/zinc/14/51/66/1294145166.db2.gz ARELNGWVMFUKBW-UNEWFSDZSA-N 2 2 332.448 2.038 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001071982929 1295067639 /nfs/dbraw/zinc/06/76/39/1295067639.db2.gz TVZRMKRSOQXCEJ-HZPDHXFCSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001071982929 1295067651 /nfs/dbraw/zinc/06/76/51/1295067651.db2.gz TVZRMKRSOQXCEJ-HZPDHXFCSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374131 1295855262 /nfs/dbraw/zinc/85/52/62/1295855262.db2.gz ALXVSFQTJKVQJC-FVQBIDKESA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374131 1295855272 /nfs/dbraw/zinc/85/52/72/1295855272.db2.gz ALXVSFQTJKVQJC-FVQBIDKESA-N 2 2 327.900 2.296 20 30 EEEDLP N#Cc1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c2cccnc12 ZINC001219467475 1298031724 /nfs/dbraw/zinc/03/17/24/1298031724.db2.gz JFMGDRZXOPOKGW-MRXNPFEDSA-N 2 2 331.379 2.317 20 30 EEEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC001099556931 1299222274 /nfs/dbraw/zinc/22/22/74/1299222274.db2.gz TZIPERSHVMLHKO-MLHJIOFPSA-N 2 2 328.460 2.018 20 30 EEEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC001099556931 1299222287 /nfs/dbraw/zinc/22/22/87/1299222287.db2.gz TZIPERSHVMLHKO-MLHJIOFPSA-N 2 2 328.460 2.018 20 30 EEEDLP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@H]2C=CC(=O)C2)c(C[NH+](C)C)c1 ZINC001227165045 1301718619 /nfs/dbraw/zinc/71/86/19/1301718619.db2.gz OMQXQHJWUFYSAE-IBGZPJMESA-N 3 2 345.487 2.148 20 30 EEEDLP CN(C)Cc1cc(C[NH+](C)C)cc(C[NH+](C)C)c1O[C@H]1C=CC(=O)C1 ZINC001227165045 1301718622 /nfs/dbraw/zinc/71/86/22/1301718622.db2.gz OMQXQHJWUFYSAE-IBGZPJMESA-N 2 2 345.487 2.148 20 30 EEEDLP C=CCOCC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227923938 1302010421 /nfs/dbraw/zinc/01/04/21/1302010421.db2.gz YQFDHQXPMGXZLN-GOSISDBHSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC001115546410 1305318976 /nfs/dbraw/zinc/31/89/76/1305318976.db2.gz KXPPDQLLPQEXOZ-UHFFFAOYSA-N 2 2 330.476 2.357 20 30 EEEDLP CCCCCCCCCCCCS(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839645 1308967927 /nfs/dbraw/zinc/96/79/27/1308967927.db2.gz UQZQFBDUHLNDSN-UHFFFAOYSA-N 2 2 335.558 2.375 20 30 EEEDLP C=CCOCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121847748 1310154260 /nfs/dbraw/zinc/15/42/60/1310154260.db2.gz FVKLDHXMQSQBTB-KZIPQDEESA-N 2 2 346.475 2.054 20 30 EEEDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001139407395 1314740127 /nfs/dbraw/zinc/74/01/27/1314740127.db2.gz ABKRPUFAAGJTSY-SFHVURJKSA-N 2 2 343.496 2.213 20 30 EEEDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001139407395 1314740133 /nfs/dbraw/zinc/74/01/33/1314740133.db2.gz ABKRPUFAAGJTSY-SFHVURJKSA-N 2 2 343.496 2.213 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149881805 1316077432 /nfs/dbraw/zinc/07/74/32/1316077432.db2.gz SPNKTHXPCUOTDE-KRWDZBQOSA-N 2 2 348.491 2.100 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149881805 1316077435 /nfs/dbraw/zinc/07/74/35/1316077435.db2.gz SPNKTHXPCUOTDE-KRWDZBQOSA-N 2 2 348.491 2.100 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001149895222 1316082814 /nfs/dbraw/zinc/08/28/14/1316082814.db2.gz GUQXPAXKALGTCD-INIZCTEOSA-N 2 2 342.443 2.350 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001149895222 1316082819 /nfs/dbraw/zinc/08/28/19/1316082819.db2.gz GUQXPAXKALGTCD-INIZCTEOSA-N 2 2 342.443 2.350 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001151155960 1316462893 /nfs/dbraw/zinc/46/28/93/1316462893.db2.gz XMPMLSFUNAZDOA-UHFFFAOYSA-N 2 2 348.491 2.296 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001151155960 1316462896 /nfs/dbraw/zinc/46/28/96/1316462896.db2.gz XMPMLSFUNAZDOA-UHFFFAOYSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001151351614 1316510260 /nfs/dbraw/zinc/51/02/60/1316510260.db2.gz CXPCITFOGZRHTD-KRWDZBQOSA-N 2 2 348.491 2.398 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930611 1316918369 /nfs/dbraw/zinc/91/83/69/1316918369.db2.gz SYRFTLIPQKQQFP-KGLIPLIRSA-N 2 2 348.329 2.308 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930611 1316918371 /nfs/dbraw/zinc/91/83/71/1316918371.db2.gz SYRFTLIPQKQQFP-KGLIPLIRSA-N 2 2 348.329 2.308 20 30 EEEDLP N#CC1(c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nc2)CCOCC1 ZINC001155064053 1317439696 /nfs/dbraw/zinc/43/96/96/1317439696.db2.gz MDHXEFWPJWGPRM-UHFFFAOYSA-N 2 2 337.427 2.306 20 30 EEEDLP Cc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c(C#N)c(C)c1Cl ZINC001155364185 1317565441 /nfs/dbraw/zinc/56/54/41/1317565441.db2.gz WTNSRSLGMZBZRD-CQSZACIVSA-N 2 2 333.867 2.083 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465954 1318023843 /nfs/dbraw/zinc/02/38/43/1318023843.db2.gz IPOSEFRPACJZAL-CQSZACIVSA-N 2 2 348.329 2.454 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465954 1318023849 /nfs/dbraw/zinc/02/38/49/1318023849.db2.gz IPOSEFRPACJZAL-CQSZACIVSA-N 2 2 348.329 2.454 20 30 EEEDLP C=CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001206949101 1323734420 /nfs/dbraw/zinc/73/44/20/1323734420.db2.gz QHVUVZVDTHTOAA-UHFFFAOYSA-N 2 2 333.501 2.120 20 30 EEEDLP C=CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001206949101 1323734425 /nfs/dbraw/zinc/73/44/25/1323734425.db2.gz QHVUVZVDTHTOAA-UHFFFAOYSA-N 2 2 333.501 2.120 20 30 EEEDLP N#Cc1ccc(CC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208925637 1324720866 /nfs/dbraw/zinc/72/08/66/1324720866.db2.gz KJPNCGOPRTULCR-UHFFFAOYSA-N 2 2 333.395 2.392 20 30 EEEDLP N#Cc1ccc(CC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208925637 1324720872 /nfs/dbraw/zinc/72/08/72/1324720872.db2.gz KJPNCGOPRTULCR-UHFFFAOYSA-N 2 2 333.395 2.392 20 30 EEEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001338927550 1336933305 /nfs/dbraw/zinc/93/33/05/1336933305.db2.gz UAWNIWVGGXHSQV-KRWDZBQOSA-N 2 2 346.523 2.371 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001338994963 1336942262 /nfs/dbraw/zinc/94/22/62/1336942262.db2.gz KQJJCCKXPPKSDV-HZPDHXFCSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001338994963 1336942265 /nfs/dbraw/zinc/94/22/65/1336942265.db2.gz KQJJCCKXPPKSDV-HZPDHXFCSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001338994964 1336942301 /nfs/dbraw/zinc/94/23/01/1336942301.db2.gz KQJJCCKXPPKSDV-JKSUJKDBSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001338994964 1336942304 /nfs/dbraw/zinc/94/23/04/1336942304.db2.gz KQJJCCKXPPKSDV-JKSUJKDBSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527877 1370515809 /nfs/dbraw/zinc/51/58/09/1370515809.db2.gz KEKRFZJPEPHABU-HZPDHXFCSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527877 1370515812 /nfs/dbraw/zinc/51/58/12/1370515812.db2.gz KEKRFZJPEPHABU-HZPDHXFCSA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001402240703 1397888587 /nfs/dbraw/zinc/88/85/87/1397888587.db2.gz QSAVMDMDEIOWID-HNNXBMFYSA-N 2 2 336.867 2.387 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001755197799 1407204647 /nfs/dbraw/zinc/20/46/47/1407204647.db2.gz NHLDQDYWDXPEJT-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001755197799 1407204654 /nfs/dbraw/zinc/20/46/54/1407204654.db2.gz NHLDQDYWDXPEJT-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001755197799 1407204664 /nfs/dbraw/zinc/20/46/64/1407204664.db2.gz NHLDQDYWDXPEJT-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001755197799 1407204668 /nfs/dbraw/zinc/20/46/68/1407204668.db2.gz NHLDQDYWDXPEJT-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001755269304 1407278989 /nfs/dbraw/zinc/27/89/89/1407278989.db2.gz OWWLQHPEHGMYRF-LSDHHAIUSA-N 2 2 344.846 2.071 20 30 EEEDLP CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001755357559 1407356675 /nfs/dbraw/zinc/35/66/75/1407356675.db2.gz GKJJBHQPWUGXOP-MAUKXSAKSA-N 2 2 345.491 2.078 20 30 EEEDLP CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001755357559 1407356681 /nfs/dbraw/zinc/35/66/81/1407356681.db2.gz GKJJBHQPWUGXOP-MAUKXSAKSA-N 2 2 345.491 2.078 20 30 EEEDLP COC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001771668953 1409858240 /nfs/dbraw/zinc/85/82/40/1409858240.db2.gz IZLDIBHBRZGKLS-OALUTQOASA-N 2 2 341.455 2.454 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773552 782220940 /nfs/dbraw/zinc/22/09/40/782220940.db2.gz TXGHCAKQSIQGQM-JKSUJKDBSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773552 782220946 /nfs/dbraw/zinc/22/09/46/782220946.db2.gz TXGHCAKQSIQGQM-JKSUJKDBSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104367426 759825683 /nfs/dbraw/zinc/82/56/83/759825683.db2.gz SJRGHDPJCPIPNA-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104367426 759825690 /nfs/dbraw/zinc/82/56/90/759825690.db2.gz SJRGHDPJCPIPNA-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461687 760936181 /nfs/dbraw/zinc/93/61/81/760936181.db2.gz ONLRLQDPKKQBJR-SFHVURJKSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461687 760936189 /nfs/dbraw/zinc/93/61/89/760936189.db2.gz ONLRLQDPKKQBJR-SFHVURJKSA-N 2 2 342.487 2.247 20 30 EEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024443781 761381735 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ZINC001033212558 803275673 /nfs/dbraw/zinc/27/56/73/803275673.db2.gz UYEKXPIXXPTCPU-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033212558 803275675 /nfs/dbraw/zinc/27/56/75/803275675.db2.gz UYEKXPIXXPTCPU-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033212558 803275677 /nfs/dbraw/zinc/27/56/77/803275677.db2.gz UYEKXPIXXPTCPU-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422502 803537019 /nfs/dbraw/zinc/53/70/19/803537019.db2.gz VAPGUIFDLTVUHR-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422502 803537021 /nfs/dbraw/zinc/53/70/21/803537021.db2.gz VAPGUIFDLTVUHR-ICSRJNTNSA-N 2 2 345.487 2.073 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001108809224 804541940 /nfs/dbraw/zinc/54/19/40/804541940.db2.gz ZTMJVEJRNCWMGD-BQFCYCMXSA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304531 810818935 /nfs/dbraw/zinc/81/89/35/810818935.db2.gz SIOJVFVLUQJMQH-WVZRYYJFSA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304531 810818941 /nfs/dbraw/zinc/81/89/41/810818941.db2.gz SIOJVFVLUQJMQH-WVZRYYJFSA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001498763246 1108052593 /nfs/dbraw/zinc/05/25/93/1108052593.db2.gz ZOVKBSCXFGXDBR-OAHLLOKOSA-N 2 2 332.835 2.493 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191996436 160165005 /nfs/dbraw/zinc/16/50/05/160165005.db2.gz ZYWXBIQYQKLHKM-UHFFFAOYSA-N 2 2 326.375 2.423 20 30 EEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346474969 161375535 /nfs/dbraw/zinc/37/55/35/161375535.db2.gz BUNINVJGZCSEQU-WMLDXEAASA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346474969 161375536 /nfs/dbraw/zinc/37/55/36/161375536.db2.gz BUNINVJGZCSEQU-WMLDXEAASA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346474970 161375641 /nfs/dbraw/zinc/37/56/41/161375641.db2.gz BUNINVJGZCSEQU-YOEHRIQHSA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346474970 161375642 /nfs/dbraw/zinc/37/56/42/161375642.db2.gz BUNINVJGZCSEQU-YOEHRIQHSA-N 2 2 336.395 2.434 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264264 277069179 /nfs/dbraw/zinc/06/91/79/277069179.db2.gz RVBYIQZNUDPLMY-BHIYHBOVSA-N 2 2 338.455 2.080 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264264 277069181 /nfs/dbraw/zinc/06/91/81/277069181.db2.gz RVBYIQZNUDPLMY-BHIYHBOVSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264264 277069183 /nfs/dbraw/zinc/06/91/83/277069183.db2.gz RVBYIQZNUDPLMY-BHIYHBOVSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264264 277069184 /nfs/dbraw/zinc/06/91/84/277069184.db2.gz RVBYIQZNUDPLMY-BHIYHBOVSA-N 2 2 338.455 2.080 20 30 EEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000328601169 465066256 /nfs/dbraw/zinc/06/62/56/465066256.db2.gz FAHWZBWYHPADJZ-JKSUJKDBSA-N 2 2 331.464 2.235 20 30 EEEDLP C=CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000120076867 462959679 /nfs/dbraw/zinc/95/96/79/462959679.db2.gz WTVZDERFMMWZIR-GOSISDBHSA-N 2 2 329.492 2.323 20 30 EEEDLP CCCCNC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000060113025 463649873 /nfs/dbraw/zinc/64/98/73/463649873.db2.gz JHYROJMAGWVJPJ-UHFFFAOYSA-N 2 2 346.475 2.226 20 30 EEEDLP CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000170641641 463688077 /nfs/dbraw/zinc/68/80/77/463688077.db2.gz NPHAHTBLDMCXPE-OAHLLOKOSA-N 2 2 346.475 2.224 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3C[NH+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894974 465465128 /nfs/dbraw/zinc/46/51/28/465465128.db2.gz KIPGXEZGXVDXGX-RVKKMQEKSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3C[NH+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894974 465465132 /nfs/dbraw/zinc/46/51/32/465465132.db2.gz KIPGXEZGXVDXGX-RVKKMQEKSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894974 465465135 /nfs/dbraw/zinc/46/51/35/465465135.db2.gz KIPGXEZGXVDXGX-RVKKMQEKSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894974 465465140 /nfs/dbraw/zinc/46/51/40/465465140.db2.gz KIPGXEZGXVDXGX-RVKKMQEKSA-N 2 2 347.459 2.214 20 30 EEEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000285740011 464677812 /nfs/dbraw/zinc/67/78/12/464677812.db2.gz YCGNTKOGKMBZEX-CTNGQTDRSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000285740011 464677817 /nfs/dbraw/zinc/67/78/17/464677817.db2.gz YCGNTKOGKMBZEX-CTNGQTDRSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740011 464677825 /nfs/dbraw/zinc/67/78/25/464677825.db2.gz YCGNTKOGKMBZEX-CTNGQTDRSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000285740011 464677833 /nfs/dbraw/zinc/67/78/33/464677833.db2.gz YCGNTKOGKMBZEX-CTNGQTDRSA-N 2 2 339.483 2.371 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000343250572 465493851 /nfs/dbraw/zinc/49/38/51/465493851.db2.gz ZYYBYHWEQBPCKT-YSTOQKLRSA-N 2 2 335.536 2.432 20 30 EEEDLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330144257 465547923 /nfs/dbraw/zinc/54/79/23/465547923.db2.gz ZMUIQNBFSCWHON-LSDHHAIUSA-N 2 2 347.507 2.293 20 30 EEEDLP C[NH+](C)C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330144257 465547924 /nfs/dbraw/zinc/54/79/24/465547924.db2.gz ZMUIQNBFSCWHON-LSDHHAIUSA-N 2 2 347.507 2.293 20 30 EEEDLP N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000348330750 465554747 /nfs/dbraw/zinc/55/47/47/465554747.db2.gz PRKAXAPXLFFNII-KRWDZBQOSA-N 2 2 329.835 2.419 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000611126747 469168455 /nfs/dbraw/zinc/16/84/55/469168455.db2.gz AZPCSMZCZRZBMD-UHFFFAOYSA-N 2 2 336.395 2.062 20 30 EEEDLP C=CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCC1 ZINC000661852489 471905080 /nfs/dbraw/zinc/90/50/80/471905080.db2.gz WPZPKDBYVZNYOC-UHFFFAOYSA-N 2 2 331.460 2.402 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000665700055 472142463 /nfs/dbraw/zinc/14/24/63/472142463.db2.gz OARJISYQMCLQPS-HOTGVXAUSA-N 2 2 345.491 2.136 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000665700055 472142467 /nfs/dbraw/zinc/14/24/67/472142467.db2.gz OARJISYQMCLQPS-HOTGVXAUSA-N 2 2 345.491 2.136 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602539882 485643119 /nfs/dbraw/zinc/64/31/19/485643119.db2.gz LZLGOADOVXTAQV-UHFFFAOYSA-N 2 2 345.447 2.199 20 30 EEEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(C)C[C@H]1CCOC1 ZINC000132208177 526380532 /nfs/dbraw/zinc/38/05/32/526380532.db2.gz QSWVORWIJGWQDE-OAHLLOKOSA-N 2 2 345.422 2.055 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159288758 527028702 /nfs/dbraw/zinc/02/87/02/527028702.db2.gz IQSLBKTXUHBIHX-DFQSSKMNSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159288758 527028706 /nfs/dbraw/zinc/02/87/06/527028706.db2.gz IQSLBKTXUHBIHX-DFQSSKMNSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159288758 527028709 /nfs/dbraw/zinc/02/87/09/527028709.db2.gz IQSLBKTXUHBIHX-DFQSSKMNSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159288758 527028713 /nfs/dbraw/zinc/02/87/13/527028713.db2.gz IQSLBKTXUHBIHX-DFQSSKMNSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2cccc(Cl)c2)CC1 ZINC000774873795 577421462 /nfs/dbraw/zinc/42/14/62/577421462.db2.gz BZEJEUBRQNLAJR-QGZVFWFLSA-N 2 2 333.863 2.158 20 30 EEEDLP N#Cc1cccn(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1=O ZINC000758251335 577620158 /nfs/dbraw/zinc/62/01/58/577620158.db2.gz ZCSUMAPUAHOYTM-UHFFFAOYSA-N 2 2 325.416 2.066 20 30 EEEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000969115969 674588265 /nfs/dbraw/zinc/58/82/65/674588265.db2.gz ZJBXEQLXLLMAIH-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000969115969 674588266 /nfs/dbraw/zinc/58/82/66/674588266.db2.gz ZJBXEQLXLLMAIH-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001023380645 679280623 /nfs/dbraw/zinc/28/06/23/679280623.db2.gz DSMASTCFPHKGNU-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001023380645 679280625 /nfs/dbraw/zinc/28/06/25/679280625.db2.gz DSMASTCFPHKGNU-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380645 679280627 /nfs/dbraw/zinc/28/06/27/679280627.db2.gz DSMASTCFPHKGNU-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380645 679280629 /nfs/dbraw/zinc/28/06/29/679280629.db2.gz DSMASTCFPHKGNU-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514232 679352346 /nfs/dbraw/zinc/35/23/46/679352346.db2.gz JMCUOCAMJJCSKY-KRWDZBQOSA-N 2 2 336.439 2.337 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514232 679352348 /nfs/dbraw/zinc/35/23/48/679352348.db2.gz JMCUOCAMJJCSKY-KRWDZBQOSA-N 2 2 336.439 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024514820 680016361 /nfs/dbraw/zinc/01/63/61/680016361.db2.gz FYQLWZODKKBPTO-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024514820 680016367 /nfs/dbraw/zinc/01/63/67/680016367.db2.gz FYQLWZODKKBPTO-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982605294 681782979 /nfs/dbraw/zinc/78/29/79/681782979.db2.gz KEVVVSXCRSKPBN-QRQLOZEOSA-N 2 2 328.460 2.028 20 30 EEEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982605294 681782985 /nfs/dbraw/zinc/78/29/85/681782985.db2.gz KEVVVSXCRSKPBN-QRQLOZEOSA-N 2 2 328.460 2.028 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225390 682248970 /nfs/dbraw/zinc/24/89/70/682248970.db2.gz DSQJAEMMLRPDIR-IAGOWNOFSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225390 682248974 /nfs/dbraw/zinc/24/89/74/682248974.db2.gz DSQJAEMMLRPDIR-IAGOWNOFSA-N 2 2 328.460 2.211 20 30 EEEDLP C[NH+]=C(NCC[N@@H+]1CCc2ccccc2C1)N(C)Cc1cccn1C ZINC000261999034 682773620 /nfs/dbraw/zinc/77/36/20/682773620.db2.gz TYOWRAKARPSPOQ-UHFFFAOYSA-N 2 2 339.487 2.091 20 30 EEEDLP C[NH+]=C(NCC[N@H+]1CCc2ccccc2C1)N(C)Cc1cccn1C ZINC000261999034 682773621 /nfs/dbraw/zinc/77/36/21/682773621.db2.gz TYOWRAKARPSPOQ-UHFFFAOYSA-N 2 2 339.487 2.091 20 30 EEEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000895378733 684562086 /nfs/dbraw/zinc/56/20/86/684562086.db2.gz SHQHKBKVOMVKSS-YOEHRIQHSA-N 2 2 326.448 2.153 20 30 EEEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000895378733 684562090 /nfs/dbraw/zinc/56/20/90/684562090.db2.gz SHQHKBKVOMVKSS-YOEHRIQHSA-N 2 2 326.448 2.153 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)CCC[C@H]12 ZINC000990812668 693896240 /nfs/dbraw/zinc/89/62/40/693896240.db2.gz DQWLYDFVPCYHPP-ZIFCJYIRSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@H]12 ZINC000990812668 693896243 /nfs/dbraw/zinc/89/62/43/693896243.db2.gz DQWLYDFVPCYHPP-ZIFCJYIRSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@H]12 ZINC000990812668 693896248 /nfs/dbraw/zinc/89/62/48/693896248.db2.gz DQWLYDFVPCYHPP-ZIFCJYIRSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@H]12 ZINC000990812668 693896252 /nfs/dbraw/zinc/89/62/52/693896252.db2.gz DQWLYDFVPCYHPP-ZIFCJYIRSA-N 2 2 343.475 2.089 20 30 EEEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105565952 1188186060 /nfs/dbraw/zinc/18/60/60/1188186060.db2.gz CIALYURWVZOKKQ-KRWDZBQOSA-N 2 2 328.460 2.117 20 30 EEEDLP CCCCCCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272478364 1190843586 /nfs/dbraw/zinc/84/35/86/1190843586.db2.gz JIWCKOLPVFKBOG-IBGZPJMESA-N 2 2 348.491 2.194 20 30 EEEDLP CCCCCCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272478364 1190843590 /nfs/dbraw/zinc/84/35/90/1190843590.db2.gz JIWCKOLPVFKBOG-IBGZPJMESA-N 2 2 348.491 2.194 20 30 EEEDLP CCCCCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272479179 1190843917 /nfs/dbraw/zinc/84/39/17/1190843917.db2.gz ZEFWXBBHGWMEDR-UHFFFAOYSA-N 2 2 339.524 2.212 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837296 1195355544 /nfs/dbraw/zinc/35/55/44/1195355544.db2.gz HACOYHAASIQDRI-MAUKXSAKSA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837296 1195355548 /nfs/dbraw/zinc/35/55/48/1195355548.db2.gz HACOYHAASIQDRI-MAUKXSAKSA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033837296 1195355557 /nfs/dbraw/zinc/35/55/57/1195355557.db2.gz HACOYHAASIQDRI-MAUKXSAKSA-N 2 2 345.491 2.289 20 30 EEEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134728630 1199775756 /nfs/dbraw/zinc/77/57/56/1199775756.db2.gz ATWSQMCSHQZMJP-LSDHHAIUSA-N 2 2 336.480 2.002 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132838419 1200080342 /nfs/dbraw/zinc/08/03/42/1200080342.db2.gz CHNWXKXVBYGBNQ-SJORKVTESA-N 2 2 344.503 2.412 20 30 EEEDLP N#CCCCC[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001274043336 1204344175 /nfs/dbraw/zinc/34/41/75/1204344175.db2.gz QFHXYKCDZNQWSU-IBGZPJMESA-N 2 2 343.475 2.282 20 30 EEEDLP N#CCCCC[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001274043336 1204344178 /nfs/dbraw/zinc/34/41/78/1204344178.db2.gz QFHXYKCDZNQWSU-IBGZPJMESA-N 2 2 343.475 2.282 20 30 EEEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001275540031 1205402115 /nfs/dbraw/zinc/40/21/15/1205402115.db2.gz CEAVUEXKXAPUET-NRFANRHFSA-N 2 2 348.450 2.463 20 30 EEEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001275540031 1205402116 /nfs/dbraw/zinc/40/21/16/1205402116.db2.gz CEAVUEXKXAPUET-NRFANRHFSA-N 2 2 348.450 2.463 20 30 EEEDLP C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)C1=O ZINC001276052961 1205753522 /nfs/dbraw/zinc/75/35/22/1205753522.db2.gz HSSNGBALHRCEOB-OAQYLSRUSA-N 2 2 348.450 2.238 20 30 EEEDLP C#CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)C1=O ZINC001276052961 1205753524 /nfs/dbraw/zinc/75/35/24/1205753524.db2.gz HSSNGBALHRCEOB-OAQYLSRUSA-N 2 2 348.450 2.238 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891294 1208764017 /nfs/dbraw/zinc/76/40/17/1208764017.db2.gz OKLQRRKKKRXYPK-LSDHHAIUSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891294 1208764018 /nfs/dbraw/zinc/76/40/18/1208764018.db2.gz OKLQRRKKKRXYPK-LSDHHAIUSA-N 2 2 325.416 2.036 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566404 1209227283 /nfs/dbraw/zinc/22/72/83/1209227283.db2.gz ODTHIDHXGAGGQE-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566404 1209227285 /nfs/dbraw/zinc/22/72/85/1209227285.db2.gz ODTHIDHXGAGGQE-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566404 1209227289 /nfs/dbraw/zinc/22/72/89/1209227289.db2.gz ODTHIDHXGAGGQE-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566404 1209227293 /nfs/dbraw/zinc/22/72/93/1209227293.db2.gz ODTHIDHXGAGGQE-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP COc1ccc([C@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)cc1OC ZINC000303771063 1213904167 /nfs/dbraw/zinc/90/41/67/1213904167.db2.gz CHYRFALFIKODIS-HNNXBMFYSA-N 2 2 334.464 2.107 20 30 EEEDLP C#CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC000957640127 1215287635 /nfs/dbraw/zinc/28/76/35/1215287635.db2.gz WZOKBTLITAMBHX-UHFFFAOYSA-N 2 2 342.487 2.081 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157777 1217062273 /nfs/dbraw/zinc/06/22/73/1217062273.db2.gz NTIAUUSTVQOJQB-DLBZAZTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157777 1217062274 /nfs/dbraw/zinc/06/22/74/1217062274.db2.gz NTIAUUSTVQOJQB-DLBZAZTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961284264 1217127206 /nfs/dbraw/zinc/12/72/06/1217127206.db2.gz HIMNGSIRRJUSSO-HOTGVXAUSA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961284264 1217127207 /nfs/dbraw/zinc/12/72/07/1217127207.db2.gz HIMNGSIRRJUSSO-HOTGVXAUSA-N 2 2 336.867 2.196 20 30 EEEDLP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)C2)C1 ZINC000965841061 1219280606 /nfs/dbraw/zinc/28/06/06/1219280606.db2.gz AFAKPUIBPCOVSS-UHFFFAOYSA-N 2 2 337.427 2.084 20 30 EEEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968919385 1221669939 /nfs/dbraw/zinc/66/99/39/1221669939.db2.gz ARZDLLWZPKXJGY-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968919385 1221669941 /nfs/dbraw/zinc/66/99/41/1221669941.db2.gz ARZDLLWZPKXJGY-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007493849 1222259043 /nfs/dbraw/zinc/25/90/43/1222259043.db2.gz VSYNZZZDCSVNTQ-HOTGVXAUSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007493849 1222259045 /nfs/dbraw/zinc/25/90/45/1222259045.db2.gz VSYNZZZDCSVNTQ-HOTGVXAUSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007493849 1222259048 /nfs/dbraw/zinc/25/90/48/1222259048.db2.gz VSYNZZZDCSVNTQ-HOTGVXAUSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007493849 1222259050 /nfs/dbraw/zinc/25/90/50/1222259050.db2.gz VSYNZZZDCSVNTQ-HOTGVXAUSA-N 2 2 327.900 2.297 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007518763 1222273940 /nfs/dbraw/zinc/27/39/40/1222273940.db2.gz CVVGMHOWBUNONS-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007518763 1222273943 /nfs/dbraw/zinc/27/39/43/1222273943.db2.gz CVVGMHOWBUNONS-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007518763 1222273945 /nfs/dbraw/zinc/27/39/45/1222273945.db2.gz CVVGMHOWBUNONS-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007518763 1222273951 /nfs/dbraw/zinc/27/39/51/1222273951.db2.gz CVVGMHOWBUNONS-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001016908791 1226962804 /nfs/dbraw/zinc/96/28/04/1226962804.db2.gz GTCUHIDFTGVLFE-LJQANCHMSA-N 2 2 348.450 2.480 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038920129 1230164534 /nfs/dbraw/zinc/16/45/34/1230164534.db2.gz BNVKDMPXGOMGSJ-KRWDZBQOSA-N 2 2 349.438 2.024 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038920129 1230164536 /nfs/dbraw/zinc/16/45/36/1230164536.db2.gz BNVKDMPXGOMGSJ-KRWDZBQOSA-N 2 2 349.438 2.024 20 30 EEEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039297026 1230514872 /nfs/dbraw/zinc/51/48/72/1230514872.db2.gz QRKZJHRBJISLMX-SLUKUZTOSA-N 2 2 328.460 2.211 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115398 1231898809 /nfs/dbraw/zinc/89/88/09/1231898809.db2.gz VNFASNOFBHFJML-DLBZAZTESA-N 2 2 330.476 2.426 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115398 1231898811 /nfs/dbraw/zinc/89/88/11/1231898811.db2.gz VNFASNOFBHFJML-DLBZAZTESA-N 2 2 330.476 2.426 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288856 1232006793 /nfs/dbraw/zinc/00/67/93/1232006793.db2.gz VTWJUBKEWDXLPC-SJORKVTESA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288856 1232006795 /nfs/dbraw/zinc/00/67/95/1232006795.db2.gz VTWJUBKEWDXLPC-SJORKVTESA-N 2 2 339.911 2.394 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044798079 1233274161 /nfs/dbraw/zinc/27/41/61/1233274161.db2.gz LHZOTYHVGFHAQQ-CHWSQXEVSA-N 2 2 343.456 2.055 20 30 EEEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001045486597 1233773852 /nfs/dbraw/zinc/77/38/52/1233773852.db2.gz LVCNERFYHZWXHB-HNNXBMFYSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001045486597 1233773856 /nfs/dbraw/zinc/77/38/56/1233773856.db2.gz LVCNERFYHZWXHB-HNNXBMFYSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001045487193 1233774194 /nfs/dbraw/zinc/77/41/94/1233774194.db2.gz WNYUVEKSNKGYFO-INIZCTEOSA-N 2 2 330.476 2.382 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973512 1234258251 /nfs/dbraw/zinc/25/82/51/1234258251.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973512 1234258253 /nfs/dbraw/zinc/25/82/53/1234258253.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973512 1234258254 /nfs/dbraw/zinc/25/82/54/1234258254.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973512 1234258258 /nfs/dbraw/zinc/25/82/58/1234258258.db2.gz SCQHXTDAPNCKNK-VQIMIIECSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049515330 1241194379 /nfs/dbraw/zinc/19/43/79/1241194379.db2.gz NQVDRFCEGPUNRS-HUUCEWRRSA-N 2 2 325.884 2.289 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049515330 1241194382 /nfs/dbraw/zinc/19/43/82/1241194382.db2.gz NQVDRFCEGPUNRS-HUUCEWRRSA-N 2 2 325.884 2.289 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC=C(C)C ZINC001049529430 1241263039 /nfs/dbraw/zinc/26/30/39/1241263039.db2.gz MYLCOWBWCYPCAE-QRVBRYPASA-N 2 2 329.488 2.116 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC=C(C)C ZINC001049529430 1241263053 /nfs/dbraw/zinc/26/30/53/1241263053.db2.gz MYLCOWBWCYPCAE-QRVBRYPASA-N 2 2 329.488 2.116 20 30 EEEDLP 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HUUAKFFSVYBCFN-UKRRQHHQSA-N 2 2 338.883 2.179 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258598 1302605419 /nfs/dbraw/zinc/60/54/19/1302605419.db2.gz HUUAKFFSVYBCFN-UKRRQHHQSA-N 2 2 338.883 2.179 20 30 EEEDLP N#Cc1ccccc1OC1C[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001237181527 1305826755 /nfs/dbraw/zinc/82/67/55/1305826755.db2.gz SBRZTLOOGCTIGH-UHFFFAOYSA-N 2 2 348.450 2.231 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379990 1316249112 /nfs/dbraw/zinc/24/91/12/1316249112.db2.gz NIWXIHCGSZSQCT-SJORKVTESA-N 2 2 334.464 2.008 20 30 EEEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379990 1316249117 /nfs/dbraw/zinc/24/91/17/1316249117.db2.gz NIWXIHCGSZSQCT-SJORKVTESA-N 2 2 334.464 2.008 20 30 EEEDLP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508524 1316283634 /nfs/dbraw/zinc/28/36/34/1316283634.db2.gz VGKGJONHVWCKLR-MRXNPFEDSA-N 2 2 336.480 2.130 20 30 EEEDLP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508524 1316283637 /nfs/dbraw/zinc/28/36/37/1316283637.db2.gz VGKGJONHVWCKLR-MRXNPFEDSA-N 2 2 336.480 2.130 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203199771 1316493835 /nfs/dbraw/zinc/49/38/35/1316493835.db2.gz CWSVIVNIMMAXJX-ZIAGYGMSSA-N 2 2 336.867 2.122 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850928 1316899986 /nfs/dbraw/zinc/89/99/86/1316899986.db2.gz OXUXHMVRBDJPMD-CYBMUJFWSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850928 1316899988 /nfs/dbraw/zinc/89/99/88/1316899988.db2.gz OXUXHMVRBDJPMD-CYBMUJFWSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850928 1316899989 /nfs/dbraw/zinc/89/99/89/1316899989.db2.gz OXUXHMVRBDJPMD-CYBMUJFWSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850928 1316899992 /nfs/dbraw/zinc/89/99/92/1316899992.db2.gz OXUXHMVRBDJPMD-CYBMUJFWSA-N 2 2 346.313 2.206 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471980 1319255747 /nfs/dbraw/zinc/25/57/47/1319255747.db2.gz QOBWYCXAVJZQKO-RHSMWYFYSA-N 2 2 333.480 2.241 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471980 1319255752 /nfs/dbraw/zinc/25/57/52/1319255752.db2.gz QOBWYCXAVJZQKO-RHSMWYFYSA-N 2 2 333.480 2.241 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160530079 1320186790 /nfs/dbraw/zinc/18/67/90/1320186790.db2.gz UKJANNMDQCFXNY-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160530079 1320186793 /nfs/dbraw/zinc/18/67/93/1320186793.db2.gz UKJANNMDQCFXNY-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C=CCn1ccc2c1ncnc2NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164207176 1321316565 /nfs/dbraw/zinc/31/65/65/1321316565.db2.gz SMVJNPYVYWLPJW-UHFFFAOYSA-N 2 2 328.464 2.055 20 30 EEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205555654 1323192898 /nfs/dbraw/zinc/19/28/98/1323192898.db2.gz CKVPHOGLNTWVNY-OAHLLOKOSA-N 2 2 336.867 2.026 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@H]1C ZINC001207582923 1324039305 /nfs/dbraw/zinc/03/93/05/1324039305.db2.gz FURFICZNGZKBJU-JMKDSLFWSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@H]1C ZINC001207582923 1324039312 /nfs/dbraw/zinc/03/93/12/1324039312.db2.gz FURFICZNGZKBJU-JMKDSLFWSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CCC)C[C@H]1C ZINC001207582923 1324039327 /nfs/dbraw/zinc/03/93/27/1324039327.db2.gz FURFICZNGZKBJU-JMKDSLFWSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CCC)C[C@H]1C ZINC001207582923 1324039336 /nfs/dbraw/zinc/03/93/36/1324039336.db2.gz FURFICZNGZKBJU-JMKDSLFWSA-N 2 2 331.504 2.267 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084973 1324308136 /nfs/dbraw/zinc/30/81/36/1324308136.db2.gz VZWHRZWYTWMHCR-MRXNPFEDSA-N 2 2 330.476 2.309 20 30 EEEDLP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428829 1338365619 /nfs/dbraw/zinc/36/56/19/1338365619.db2.gz OPHHQDISKQEWTN-DAWZGUTISA-N 2 2 348.491 2.157 20 30 EEEDLP CC(C)OCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001647557890 1353325010 /nfs/dbraw/zinc/32/50/10/1353325010.db2.gz KAFCDLPBJXHLPZ-FQEVSTJZSA-N 2 2 345.487 2.288 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852180 1374681437 /nfs/dbraw/zinc/68/14/37/1374681437.db2.gz INWHUARZHBXXJJ-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852180 1374681440 /nfs/dbraw/zinc/68/14/40/1374681440.db2.gz INWHUARZHBXXJJ-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852180 1374681446 /nfs/dbraw/zinc/68/14/46/1374681446.db2.gz INWHUARZHBXXJJ-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001369852180 1374681448 /nfs/dbraw/zinc/68/14/48/1374681448.db2.gz INWHUARZHBXXJJ-KRWDZBQOSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1ccc(C#N)s1 ZINC001377512686 1379318578 /nfs/dbraw/zinc/31/85/78/1379318578.db2.gz YPHRUVIRCJJASM-UHFFFAOYSA-N 2 2 345.472 2.153 20 30 EEEDLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1ccc(C#N)s1 ZINC001377512686 1379318584 /nfs/dbraw/zinc/31/85/84/1379318584.db2.gz YPHRUVIRCJJASM-UHFFFAOYSA-N 2 2 345.472 2.153 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001753967731 1406783214 /nfs/dbraw/zinc/78/32/14/1406783214.db2.gz YXXRXYMTDFDTGK-SWLSCSKDSA-N 2 2 339.871 2.027 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001753967731 1406783221 /nfs/dbraw/zinc/78/32/21/1406783221.db2.gz YXXRXYMTDFDTGK-SWLSCSKDSA-N 2 2 339.871 2.027 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001402400939 1397978993 /nfs/dbraw/zinc/97/89/93/1397978993.db2.gz QWPZDSPBXQOWNY-OAHLLOKOSA-N 2 2 338.883 2.276 20 30 EEEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001402400939 1397978999 /nfs/dbraw/zinc/97/89/99/1397978999.db2.gz QWPZDSPBXQOWNY-OAHLLOKOSA-N 2 2 338.883 2.276 20 30 EEEDLP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001755709530 1407763561 /nfs/dbraw/zinc/76/35/61/1407763561.db2.gz TYWVAGWNCAPFNT-YESZJQIVSA-N 2 2 336.439 2.188 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087829411 782323991 /nfs/dbraw/zinc/32/39/91/782323991.db2.gz AOWJJOADKYQYJH-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001087829411 782323995 /nfs/dbraw/zinc/32/39/95/782323995.db2.gz AOWJJOADKYQYJH-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001112482106 757700811 /nfs/dbraw/zinc/70/08/11/757700811.db2.gz AXKHZUNXDDGNAE-PXNSSMCTSA-N 2 2 325.456 2.472 20 30 EEEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327495 759445083 /nfs/dbraw/zinc/44/50/83/759445083.db2.gz QEGONIHZAMREMA-KURKYZTESA-N 2 2 330.476 2.178 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088019041 782775685 /nfs/dbraw/zinc/77/56/85/782775685.db2.gz UMTNPPSMRVMWBT-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088019041 782775689 /nfs/dbraw/zinc/77/56/89/782775689.db2.gz UMTNPPSMRVMWBT-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649475 773778019 /nfs/dbraw/zinc/77/80/19/773778019.db2.gz JRSYFRPBVPXYCS-JKSUJKDBSA-N 2 2 328.460 2.001 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089649475 773778022 /nfs/dbraw/zinc/77/80/22/773778022.db2.gz JRSYFRPBVPXYCS-JKSUJKDBSA-N 2 2 328.460 2.001 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723737 774741421 /nfs/dbraw/zinc/74/14/21/774741421.db2.gz ORJFLHLOUXQKQB-OAHLLOKOSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723737 774741423 /nfs/dbraw/zinc/74/14/23/774741423.db2.gz ORJFLHLOUXQKQB-OAHLLOKOSA-N 2 2 339.911 2.442 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027943069 774776075 /nfs/dbraw/zinc/77/60/75/774776075.db2.gz JUNYQISFONJDJC-OALUTQOASA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027943069 774776081 /nfs/dbraw/zinc/77/60/81/774776081.db2.gz JUNYQISFONJDJC-OALUTQOASA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027943069 774776088 /nfs/dbraw/zinc/77/60/88/774776088.db2.gz JUNYQISFONJDJC-OALUTQOASA-N 2 2 343.515 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027943069 774776094 /nfs/dbraw/zinc/77/60/94/774776094.db2.gz JUNYQISFONJDJC-OALUTQOASA-N 2 2 343.515 2.245 20 30 EEEDLP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827293 777146830 /nfs/dbraw/zinc/14/68/30/777146830.db2.gz NRRBRQBUECHWDA-FORWCCJISA-N 2 2 348.450 2.369 20 30 EEEDLP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827293 777146837 /nfs/dbraw/zinc/14/68/37/777146837.db2.gz NRRBRQBUECHWDA-FORWCCJISA-N 2 2 348.450 2.369 20 30 EEEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001089837249 777483593 /nfs/dbraw/zinc/48/35/93/777483593.db2.gz ACRACCCLMLJCBU-XSLAGTTESA-N 2 2 348.450 2.140 20 30 EEEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001089837249 777483606 /nfs/dbraw/zinc/48/36/06/777483606.db2.gz ACRACCCLMLJCBU-XSLAGTTESA-N 2 2 348.450 2.140 20 30 EEEDLP CC[NH+](CC)Cc1cncc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c1 ZINC001171258607 790774228 /nfs/dbraw/zinc/77/42/28/790774228.db2.gz GXMNZIPTNLGPLU-UHFFFAOYSA-N 2 2 325.416 2.059 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001036035437 785652913 /nfs/dbraw/zinc/65/29/13/785652913.db2.gz AKWBAHDQDRSBGS-WBVHZDCISA-N 2 2 330.476 2.165 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995975719 785881096 /nfs/dbraw/zinc/88/10/96/785881096.db2.gz BJBWMMHQMWJPFP-KBPBESRZSA-N 2 2 336.867 2.025 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001089895751 787023259 /nfs/dbraw/zinc/02/32/59/787023259.db2.gz GZTFQPICZZAECY-WNHJNPCNSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001089895751 787023266 /nfs/dbraw/zinc/02/32/66/787023266.db2.gz GZTFQPICZZAECY-WNHJNPCNSA-N 2 2 342.487 2.098 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001144158835 789308361 /nfs/dbraw/zinc/30/83/61/789308361.db2.gz RECCRPLTKZFMTO-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001144158835 789308371 /nfs/dbraw/zinc/30/83/71/789308371.db2.gz RECCRPLTKZFMTO-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001144158835 789308380 /nfs/dbraw/zinc/30/83/80/789308380.db2.gz RECCRPLTKZFMTO-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001144158835 789308386 /nfs/dbraw/zinc/30/83/86/789308386.db2.gz RECCRPLTKZFMTO-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000948825104 791301400 /nfs/dbraw/zinc/30/14/00/791301400.db2.gz WAIGAZSIGHAADK-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000948825104 791301403 /nfs/dbraw/zinc/30/14/03/791301403.db2.gz WAIGAZSIGHAADK-SFHVURJKSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102664 794618350 /nfs/dbraw/zinc/61/83/50/794618350.db2.gz KNCDMNAMAQRUMZ-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102664 794618357 /nfs/dbraw/zinc/61/83/57/794618357.db2.gz KNCDMNAMAQRUMZ-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102924 794623480 /nfs/dbraw/zinc/62/34/80/794623480.db2.gz QUXJSAVYJIVFPX-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102924 794623483 /nfs/dbraw/zinc/62/34/83/794623483.db2.gz QUXJSAVYJIVFPX-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782896 794983210 /nfs/dbraw/zinc/98/32/10/794983210.db2.gz ROZDCFHGEVGUPR-ICSRJNTNSA-N 2 2 348.450 2.432 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782896 794983214 /nfs/dbraw/zinc/98/32/14/794983214.db2.gz ROZDCFHGEVGUPR-ICSRJNTNSA-N 2 2 348.450 2.432 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000992689392 795112100 /nfs/dbraw/zinc/11/21/00/795112100.db2.gz IMASYMBGJLTOKQ-KBAYOESNSA-N 2 2 342.487 2.165 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001093581561 795392935 /nfs/dbraw/zinc/39/29/35/795392935.db2.gz POQHSFGWVXANPZ-IBGZPJMESA-N 2 2 349.519 2.127 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001093581561 795392942 /nfs/dbraw/zinc/39/29/42/795392942.db2.gz POQHSFGWVXANPZ-IBGZPJMESA-N 2 2 349.519 2.127 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028280 795870156 /nfs/dbraw/zinc/87/01/56/795870156.db2.gz CZTHDHBLECSRSK-IBGZPJMESA-N 2 2 342.443 2.350 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028280 795870162 /nfs/dbraw/zinc/87/01/62/795870162.db2.gz CZTHDHBLECSRSK-IBGZPJMESA-N 2 2 342.443 2.350 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078737397 796938431 /nfs/dbraw/zinc/93/84/31/796938431.db2.gz ZKTKCNLRHLLULE-ZWKOTPCHSA-N 2 2 349.438 2.041 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001095036420 797259283 /nfs/dbraw/zinc/25/92/83/797259283.db2.gz CMCPOUWFCAWGDX-UXLLHSPISA-N 2 2 337.427 2.036 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001174882986 797900772 /nfs/dbraw/zinc/90/07/72/797900772.db2.gz ZUXJNRMNHBQLOO-WMZOPIPTSA-N 2 2 337.508 2.080 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001174882986 797900776 /nfs/dbraw/zinc/90/07/76/797900776.db2.gz ZUXJNRMNHBQLOO-WMZOPIPTSA-N 2 2 337.508 2.080 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638523 798174275 /nfs/dbraw/zinc/17/42/75/798174275.db2.gz QVABADVWZVJDRD-HOTGVXAUSA-N 2 2 336.480 2.056 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638523 798174281 /nfs/dbraw/zinc/17/42/81/798174281.db2.gz QVABADVWZVJDRD-HOTGVXAUSA-N 2 2 336.480 2.056 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881302 798261041 /nfs/dbraw/zinc/26/10/41/798261041.db2.gz NNXPQLPQQIDVPY-OAHLLOKOSA-N 2 2 339.443 2.289 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001177352580 798903869 /nfs/dbraw/zinc/90/38/69/798903869.db2.gz BSVRGABFZNRAHA-GOSISDBHSA-N 2 2 342.487 2.077 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946572848 800208956 /nfs/dbraw/zinc/20/89/56/800208956.db2.gz CLZYHRDKOIYAJQ-CALCHBBNSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946572848 800208959 /nfs/dbraw/zinc/20/89/59/800208959.db2.gz CLZYHRDKOIYAJQ-CALCHBBNSA-N 2 2 330.476 2.479 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004580316 802414275 /nfs/dbraw/zinc/41/42/75/802414275.db2.gz QYBWAJYKBGZJKA-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004580316 802414281 /nfs/dbraw/zinc/41/42/81/802414281.db2.gz QYBWAJYKBGZJKA-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004580316 802414288 /nfs/dbraw/zinc/41/42/88/802414288.db2.gz QYBWAJYKBGZJKA-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004580316 802414295 /nfs/dbraw/zinc/41/42/95/802414295.db2.gz QYBWAJYKBGZJKA-LPHOPBHVSA-N 2 2 342.487 2.315 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645820 802558685 /nfs/dbraw/zinc/55/86/85/802558685.db2.gz ZDINLKDRQNMTLI-OKZBNKHCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645820 802558689 /nfs/dbraw/zinc/55/86/89/802558689.db2.gz ZDINLKDRQNMTLI-OKZBNKHCSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946693775 802837951 /nfs/dbraw/zinc/83/79/51/802837951.db2.gz DOGUKXVYDMHNKW-HDICACEKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946693775 802837955 /nfs/dbraw/zinc/83/79/55/802837955.db2.gz DOGUKXVYDMHNKW-HDICACEKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@H](C)O2 ZINC001131665066 813092453 /nfs/dbraw/zinc/09/24/53/813092453.db2.gz DDXJNSXJKLXAKN-QFBILLFUSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@H](C)O2 ZINC001131665066 813092460 /nfs/dbraw/zinc/09/24/60/813092460.db2.gz DDXJNSXJKLXAKN-QFBILLFUSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001131665066 813092468 /nfs/dbraw/zinc/09/24/68/813092468.db2.gz DDXJNSXJKLXAKN-QFBILLFUSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001131665066 813092477 /nfs/dbraw/zinc/09/24/77/813092477.db2.gz DDXJNSXJKLXAKN-QFBILLFUSA-N 2 2 346.475 2.000 20 30 EEEDLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001438808629 1091420693 /nfs/dbraw/zinc/42/06/93/1091420693.db2.gz DXHJPMOAYVOKEZ-SFHVURJKSA-N 2 2 339.443 2.075 20 30 EEEDLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000328879839 539763198 /nfs/dbraw/zinc/76/31/98/539763198.db2.gz VLVPVWZRJVRZKL-CQSZACIVSA-N 2 2 327.432 2.085 20 30 EEEDLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000328879839 539763206 /nfs/dbraw/zinc/76/32/06/539763206.db2.gz VLVPVWZRJVRZKL-CQSZACIVSA-N 2 2 327.432 2.085 20 30 EEEDLP C#CCC[NH+]1CCC(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000492080301 533045767 /nfs/dbraw/zinc/04/57/67/533045767.db2.gz CPNSLKHQYRUAFB-TWGQIWQCSA-N 2 2 348.450 2.489 20 30 EEEDLP C#CC[N@@H+](C)CCCNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000491654400 533098850 /nfs/dbraw/zinc/09/88/50/533098850.db2.gz FBQLUKVCPYIDIK-UHFFFAOYSA-N 2 2 340.471 2.450 20 30 EEEDLP C#CC[N@H+](C)CCCNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000491654400 533098855 /nfs/dbraw/zinc/09/88/55/533098855.db2.gz FBQLUKVCPYIDIK-UHFFFAOYSA-N 2 2 340.471 2.450 20 30 EEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000090003477 159191425 /nfs/dbraw/zinc/19/14/25/159191425.db2.gz HNXAPQRNCWFMMG-ZDUSSCGKSA-N 2 2 343.456 2.246 20 30 EEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000090003477 159191427 /nfs/dbraw/zinc/19/14/27/159191427.db2.gz HNXAPQRNCWFMMG-ZDUSSCGKSA-N 2 2 343.456 2.246 20 30 EEEDLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000329069483 465223956 /nfs/dbraw/zinc/22/39/56/465223956.db2.gz YCMYHRKPBBJFGM-SJLPKXTDSA-N 2 2 347.507 2.344 20 30 EEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000278651178 463975209 /nfs/dbraw/zinc/97/52/09/463975209.db2.gz PUZGCWJDAXGUSN-LJQANCHMSA-N 2 2 342.443 2.042 20 30 EEEDLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311568 464037750 /nfs/dbraw/zinc/03/77/50/464037750.db2.gz OHUGNXCRCNZKQA-QFBILLFUSA-N 2 2 340.471 2.001 20 30 EEEDLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311568 464037754 /nfs/dbraw/zinc/03/77/54/464037754.db2.gz OHUGNXCRCNZKQA-QFBILLFUSA-N 2 2 340.471 2.001 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000280562239 464218555 /nfs/dbraw/zinc/21/85/55/464218555.db2.gz QKGJKMXWTVFWBF-UHFFFAOYSA-N 2 2 348.397 2.390 20 30 EEEDLP Cc1ncc(CO)c(/C=[NH+]/CC2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000271318606 464291994 /nfs/dbraw/zinc/29/19/94/464291994.db2.gz NXCVCEHYQAXBDB-CIAFOILYSA-N 2 2 340.427 2.318 20 30 EEEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383419 464544037 /nfs/dbraw/zinc/54/40/37/464544037.db2.gz BOYWIDWPIWJJEO-PXNSSMCTSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383419 464544038 /nfs/dbraw/zinc/54/40/38/464544038.db2.gz BOYWIDWPIWJJEO-PXNSSMCTSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383419 464544040 /nfs/dbraw/zinc/54/40/40/464544040.db2.gz BOYWIDWPIWJJEO-PXNSSMCTSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383419 464544042 /nfs/dbraw/zinc/54/40/42/464544042.db2.gz BOYWIDWPIWJJEO-PXNSSMCTSA-N 2 2 327.472 2.275 20 30 EEEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827509 464737425 /nfs/dbraw/zinc/73/74/25/464737425.db2.gz QPWIXMKAFCGCTN-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827509 464737430 /nfs/dbraw/zinc/73/74/30/464737430.db2.gz QPWIXMKAFCGCTN-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827509 464737434 /nfs/dbraw/zinc/73/74/34/464737434.db2.gz QPWIXMKAFCGCTN-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182827509 464737439 /nfs/dbraw/zinc/73/74/39/464737439.db2.gz QPWIXMKAFCGCTN-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+]=C(NCc1ccoc1)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000176315972 464747067 /nfs/dbraw/zinc/74/70/67/464747067.db2.gz XDGAMJKQMAYCIZ-CYBMUJFWSA-N 2 2 332.473 2.453 20 30 EEEDLP C[NH+]=C(NCc1ccoc1)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000176315972 464747072 /nfs/dbraw/zinc/74/70/72/464747072.db2.gz XDGAMJKQMAYCIZ-CYBMUJFWSA-N 2 2 332.473 2.453 20 30 EEEDLP COCC1(C#N)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000342823136 465355945 /nfs/dbraw/zinc/35/59/45/465355945.db2.gz VDKOFSVEAFWBHB-UHFFFAOYSA-N 2 2 325.416 2.328 20 30 EEEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)(C)C[NH+](C)C ZINC000331262804 466003687 /nfs/dbraw/zinc/00/36/87/466003687.db2.gz DSTQKQFHPOMTMF-OAHLLOKOSA-N 2 2 336.480 2.288 20 30 EEEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000424138954 466988771 /nfs/dbraw/zinc/98/87/71/466988771.db2.gz QVIMLJBYTGWHFQ-INIZCTEOSA-N 2 2 334.851 2.005 20 30 EEEDLP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1)C1CC1 ZINC000569852206 468553072 /nfs/dbraw/zinc/55/30/72/468553072.db2.gz MNSSEIUMUIEEFM-LJQANCHMSA-N 2 2 328.460 2.245 20 30 EEEDLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615353 468933767 /nfs/dbraw/zinc/93/37/67/468933767.db2.gz XBOHKXVXAVHGFL-ZWKOTPCHSA-N 2 2 330.476 2.136 20 30 EEEDLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615353 468933770 /nfs/dbraw/zinc/93/37/70/468933770.db2.gz XBOHKXVXAVHGFL-ZWKOTPCHSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615353 468933773 /nfs/dbraw/zinc/93/37/73/468933773.db2.gz XBOHKXVXAVHGFL-ZWKOTPCHSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615353 468933777 /nfs/dbraw/zinc/93/37/77/468933777.db2.gz XBOHKXVXAVHGFL-ZWKOTPCHSA-N 2 2 330.476 2.136 20 30 EEEDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426623 469392937 /nfs/dbraw/zinc/39/29/37/469392937.db2.gz CDLUEDHIIRMEGN-PXNSSMCTSA-N 2 2 342.487 2.005 20 30 EEEDLP C=C[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C(=O)OC ZINC000619700711 469666447 /nfs/dbraw/zinc/66/64/47/469666447.db2.gz ISUCRSCVOXPFMR-SFHVURJKSA-N 2 2 332.444 2.224 20 30 EEEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)nn1 ZINC000657299126 471087948 /nfs/dbraw/zinc/08/79/48/471087948.db2.gz XYYVXTRRCOURSJ-UHFFFAOYSA-N 2 2 325.460 2.392 20 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ZINC001271953806 1186698961 /nfs/dbraw/zinc/69/89/61/1186698961.db2.gz MFLSROFXLPGCDR-UHFFFAOYSA-N 2 2 345.409 2.268 20 30 EEEDLP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001486413500 1193922537 /nfs/dbraw/zinc/92/25/37/1193922537.db2.gz JMXLQAHWWJQPOZ-QGZVFWFLSA-N 2 2 339.443 2.145 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415552 1194535414 /nfs/dbraw/zinc/53/54/14/1194535414.db2.gz JHOZUHAAPXHENG-PBHICJAKSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415552 1194535418 /nfs/dbraw/zinc/53/54/18/1194535418.db2.gz JHOZUHAAPXHENG-PBHICJAKSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415552 1194535424 /nfs/dbraw/zinc/53/54/24/1194535424.db2.gz JHOZUHAAPXHENG-PBHICJAKSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415552 1194535426 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YJTPTPIDNBESSS-GJZGRUSLSA-N 2 2 339.443 2.287 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546265 1199648091 /nfs/dbraw/zinc/64/80/91/1199648091.db2.gz YJTPTPIDNBESSS-GJZGRUSLSA-N 2 2 339.443 2.287 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546266 1199648136 /nfs/dbraw/zinc/64/81/36/1199648136.db2.gz YJTPTPIDNBESSS-HUUCEWRRSA-N 2 2 339.443 2.287 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546266 1199648138 /nfs/dbraw/zinc/64/81/38/1199648138.db2.gz YJTPTPIDNBESSS-HUUCEWRRSA-N 2 2 339.443 2.287 20 30 EEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@H]1C ZINC001133237529 1200648755 /nfs/dbraw/zinc/64/87/55/1200648755.db2.gz FPDWEFQTSDGOMT-CVEARBPZSA-N 2 2 339.443 2.141 20 30 EEEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001133408058 1200877107 /nfs/dbraw/zinc/87/71/07/1200877107.db2.gz UQFGVCOXSJFECK-UHFFFAOYSA-N 2 2 332.835 2.410 20 30 EEEDLP 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C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095605960 1205889508 /nfs/dbraw/zinc/88/95/08/1205889508.db2.gz MIXBZGPVBPPBHS-PMPSAXMXSA-N 2 2 337.895 2.336 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000948825908 1209404214 /nfs/dbraw/zinc/40/42/14/1209404214.db2.gz XKGYZFZVIPIVTR-IBGZPJMESA-N 2 2 329.488 2.119 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000948825908 1209404216 /nfs/dbraw/zinc/40/42/16/1209404216.db2.gz XKGYZFZVIPIVTR-IBGZPJMESA-N 2 2 329.488 2.119 20 30 EEEDLP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303768741 1213903535 /nfs/dbraw/zinc/90/35/35/1213903535.db2.gz APSIRLGUDVYPJY-SJORKVTESA-N 2 2 326.529 2.462 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963322272 1217516157 /nfs/dbraw/zinc/51/61/57/1217516157.db2.gz GWJIAABGIKJNFR-QZTJIDSGSA-N 2 2 342.487 2.263 20 30 EEEDLP 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C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777361 794960465 /nfs/dbraw/zinc/96/04/65/794960465.db2.gz AIQZRLKGQDITBN-HUUCEWRRSA-N 2 2 336.867 2.028 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001106763376 796479299 /nfs/dbraw/zinc/47/92/99/796479299.db2.gz FDCKNHYTVRYEPV-IAGOWNOFSA-N 2 2 340.471 2.445 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001081667104 796843616 /nfs/dbraw/zinc/84/36/16/796843616.db2.gz MHNRQEMDRJHKHX-IAGOWNOFSA-N 2 2 342.443 2.038 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001081667104 796843621 /nfs/dbraw/zinc/84/36/21/796843621.db2.gz MHNRQEMDRJHKHX-IAGOWNOFSA-N 2 2 342.443 2.038 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000993635583 796857317 /nfs/dbraw/zinc/85/73/17/796857317.db2.gz OCFZOADVWYWFGJ-QFBILLFUSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000993635583 796857318 /nfs/dbraw/zinc/85/73/18/796857318.db2.gz OCFZOADVWYWFGJ-QFBILLFUSA-N 2 2 336.439 2.478 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993806001 797032459 /nfs/dbraw/zinc/03/24/59/797032459.db2.gz OGBKUCTUCDHGMZ-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993806001 797032467 /nfs/dbraw/zinc/03/24/67/797032467.db2.gz OGBKUCTUCDHGMZ-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993806001 797032473 /nfs/dbraw/zinc/03/24/73/797032473.db2.gz OGBKUCTUCDHGMZ-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993806001 797032480 /nfs/dbraw/zinc/03/24/80/797032480.db2.gz OGBKUCTUCDHGMZ-CABCVRRESA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994215903 797396590 /nfs/dbraw/zinc/39/65/90/797396590.db2.gz YTTUIWWWYVKUOI-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994215903 797396599 /nfs/dbraw/zinc/39/65/99/797396599.db2.gz YTTUIWWWYVKUOI-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175477146 798117766 /nfs/dbraw/zinc/11/77/66/798117766.db2.gz FPKFWVZTICLZDM-HNNXBMFYSA-N 2 2 339.443 2.289 20 30 EEEDLP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175888237 798262438 /nfs/dbraw/zinc/26/24/38/798262438.db2.gz HKNPRXKUIQXXAK-KRWDZBQOSA-N 2 2 338.455 2.269 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001003378513 799586470 /nfs/dbraw/zinc/58/64/70/799586470.db2.gz SDQMFQPMMYJQPG-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001003378513 799586473 /nfs/dbraw/zinc/58/64/73/799586473.db2.gz SDQMFQPMMYJQPG-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097501 799777978 /nfs/dbraw/zinc/77/79/78/799777978.db2.gz KEGYWHHAZXTWHT-UHFFFAOYSA-N 2 2 326.872 2.371 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001181896675 800948915 /nfs/dbraw/zinc/94/89/15/800948915.db2.gz RIGOFVOEBLJPLQ-DNVCBOLYSA-N 2 2 331.460 2.283 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183773055 801729189 /nfs/dbraw/zinc/72/91/89/801729189.db2.gz NVGFBGGIEBEFSX-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184400187 802010507 /nfs/dbraw/zinc/01/05/07/802010507.db2.gz UZFXKAZTQSGNDY-MAUKXSAKSA-N 2 2 338.455 2.354 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184651040 802116441 /nfs/dbraw/zinc/11/64/41/802116441.db2.gz BSOCHXVRDIVVIA-HOTGVXAUSA-N 2 2 331.460 2.283 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004462067 802134394 /nfs/dbraw/zinc/13/43/94/802134394.db2.gz CTDXTXKCVNKAJH-JFIYKMOQSA-N 2 2 328.460 2.402 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004462067 802134395 /nfs/dbraw/zinc/13/43/95/802134395.db2.gz CTDXTXKCVNKAJH-JFIYKMOQSA-N 2 2 328.460 2.402 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004462067 802134397 /nfs/dbraw/zinc/13/43/97/802134397.db2.gz CTDXTXKCVNKAJH-JFIYKMOQSA-N 2 2 328.460 2.402 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004462067 802134400 /nfs/dbraw/zinc/13/44/00/802134400.db2.gz CTDXTXKCVNKAJH-JFIYKMOQSA-N 2 2 328.460 2.402 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1C#N ZINC000177907341 529903823 /nfs/dbraw/zinc/90/38/23/529903823.db2.gz BGHQYYITPQHRCJ-UHFFFAOYSA-N 2 2 347.438 2.187 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1C#N ZINC000177907341 529903824 /nfs/dbraw/zinc/90/38/24/529903824.db2.gz BGHQYYITPQHRCJ-UHFFFAOYSA-N 2 2 347.438 2.187 20 30 EEEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329249556 465280631 /nfs/dbraw/zinc/28/06/31/465280631.db2.gz XCZFCHPQNWGZOB-ZBFHGGJFSA-N 2 2 331.464 2.192 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000490948010 468273903 /nfs/dbraw/zinc/27/39/03/468273903.db2.gz CGRWEYFQXIODKF-ZDUSSCGKSA-N 2 2 339.892 2.220 20 30 EEEDLP N#CC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000057875300 463526104 /nfs/dbraw/zinc/52/61/04/463526104.db2.gz ZXLPAKURFQNJKP-UHFFFAOYSA-N 2 2 340.471 2.134 20 30 EEEDLP Cc1oc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C#N)c1C ZINC000109795325 463649218 /nfs/dbraw/zinc/64/92/18/463649218.db2.gz XUNOMWMHTDSNGH-UHFFFAOYSA-N 2 2 327.388 2.240 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000276684651 463718027 /nfs/dbraw/zinc/71/80/27/463718027.db2.gz PHLJNELOPHEFCC-VOTSOKGWSA-N 2 2 335.411 2.029 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000276684651 463718033 /nfs/dbraw/zinc/71/80/33/463718033.db2.gz PHLJNELOPHEFCC-VOTSOKGWSA-N 2 2 335.411 2.029 20 30 EEEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000288783418 464058653 /nfs/dbraw/zinc/05/86/53/464058653.db2.gz WPYRVRASPBQLJO-OAHLLOKOSA-N 2 2 326.391 2.048 20 30 EEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068174 464279706 /nfs/dbraw/zinc/27/97/06/464279706.db2.gz BZVPPYSDEMCPJI-HZPDHXFCSA-N 3 2 335.496 2.051 20 30 EEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068174 464279714 /nfs/dbraw/zinc/27/97/14/464279714.db2.gz BZVPPYSDEMCPJI-HZPDHXFCSA-N 3 2 335.496 2.051 20 30 EEEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CCCCC1 ZINC000264119975 464285723 /nfs/dbraw/zinc/28/57/23/464285723.db2.gz QTPLZLQGAOKGFM-GOSISDBHSA-N 2 2 330.476 2.124 20 30 EEEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CCCCC1 ZINC000264119975 464285727 /nfs/dbraw/zinc/28/57/27/464285727.db2.gz QTPLZLQGAOKGFM-GOSISDBHSA-N 2 2 330.476 2.124 20 30 EEEDLP C[C@@H](NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136852 464287369 /nfs/dbraw/zinc/28/73/69/464287369.db2.gz ZZXMNQOIRGKGTM-ZYHUDNBSSA-N 2 2 345.274 2.289 20 30 EEEDLP C[C@@H](NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136852 464287371 /nfs/dbraw/zinc/28/73/71/464287371.db2.gz ZZXMNQOIRGKGTM-ZYHUDNBSSA-N 2 2 345.274 2.289 20 30 EEEDLP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272276328 464547591 /nfs/dbraw/zinc/54/75/91/464547591.db2.gz ZHPNGQAWVPRONR-GOSISDBHSA-N 2 2 326.444 2.128 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000329793595 465436861 /nfs/dbraw/zinc/43/68/61/465436861.db2.gz BFCCHXJVMNRGHL-UONOGXRCSA-N 2 2 333.480 2.298 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000329793595 465436865 /nfs/dbraw/zinc/43/68/65/465436865.db2.gz BFCCHXJVMNRGHL-UONOGXRCSA-N 2 2 333.480 2.298 20 30 EEEDLP C=CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000367616978 466450797 /nfs/dbraw/zinc/45/07/97/466450797.db2.gz MTXBCEBHOGBWNS-MSOLQXFVSA-N 2 2 333.476 2.283 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378354470 467275971 /nfs/dbraw/zinc/27/59/71/467275971.db2.gz JWORHDIMSJRWPR-HKUYNNGSSA-N 2 2 342.487 2.189 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000378354470 467275975 /nfs/dbraw/zinc/27/59/75/467275975.db2.gz JWORHDIMSJRWPR-HKUYNNGSSA-N 2 2 342.487 2.189 20 30 EEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420332182 467361162 /nfs/dbraw/zinc/36/11/62/467361162.db2.gz RLJWYFDOAVMSEH-QGZVFWFLSA-N 2 2 345.487 2.161 20 30 EEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420332182 467361165 /nfs/dbraw/zinc/36/11/65/467361165.db2.gz RLJWYFDOAVMSEH-QGZVFWFLSA-N 2 2 345.487 2.161 20 30 EEEDLP Cc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1C#N ZINC000443986306 467581343 /nfs/dbraw/zinc/58/13/43/467581343.db2.gz IINPLSVZIABHLH-IBGZPJMESA-N 2 2 335.455 3.014 20 30 EEEDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000528426652 467684089 /nfs/dbraw/zinc/68/40/89/467684089.db2.gz VLEIRFJIZJPXEG-NJAFHUGGSA-N 2 2 340.427 2.078 20 30 EEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000528426652 467684093 /nfs/dbraw/zinc/68/40/93/467684093.db2.gz VLEIRFJIZJPXEG-NJAFHUGGSA-N 2 2 340.427 2.078 20 30 EEEDLP N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000492865635 467777901 /nfs/dbraw/zinc/77/79/01/467777901.db2.gz PDWPJQPHHVBTIS-SREVYHEPSA-N 2 2 335.411 2.097 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507201 468881745 /nfs/dbraw/zinc/88/17/45/468881745.db2.gz KYXPNLFKKGWSLB-SJLPKXTDSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507201 468881751 /nfs/dbraw/zinc/88/17/51/468881751.db2.gz KYXPNLFKKGWSLB-SJLPKXTDSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507201 468881752 /nfs/dbraw/zinc/88/17/52/468881752.db2.gz KYXPNLFKKGWSLB-SJLPKXTDSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507201 468881757 /nfs/dbraw/zinc/88/17/57/468881757.db2.gz KYXPNLFKKGWSLB-SJLPKXTDSA-N 2 2 332.492 2.135 20 30 EEEDLP C[NH+](C)[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000573696313 469189927 /nfs/dbraw/zinc/18/99/27/469189927.db2.gz RULXUQGVHNLEHM-HNNXBMFYSA-N 2 2 334.851 2.047 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000130358040 534548560 /nfs/dbraw/zinc/54/85/60/534548560.db2.gz GSKUNRCGXKABJH-ZDUSSCGKSA-N 2 2 329.404 2.314 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000130358040 534548562 /nfs/dbraw/zinc/54/85/62/534548562.db2.gz GSKUNRCGXKABJH-ZDUSSCGKSA-N 2 2 329.404 2.314 20 30 EEEDLP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160046993 526379989 /nfs/dbraw/zinc/37/99/89/526379989.db2.gz HIGDOZQYTVFCLW-LRDDRELGSA-N 2 2 330.436 2.146 20 30 EEEDLP C#C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCCO1 ZINC000775573450 577439907 /nfs/dbraw/zinc/43/99/07/577439907.db2.gz YMHYBHQNBOWURS-WOJBJXKFSA-N 2 2 327.472 2.492 20 30 EEEDLP N#Cc1cccn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1=O ZINC000758240662 577619751 /nfs/dbraw/zinc/61/97/51/577619751.db2.gz HIPXUYJYWQUDIE-UHFFFAOYSA-N 2 2 328.460 2.265 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)Nc2ccccc2)cc1 ZINC000747839065 577951249 /nfs/dbraw/zinc/95/12/49/577951249.db2.gz XCYNDQIBJKQKGB-UHFFFAOYSA-N 2 2 326.400 2.024 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632023 676286768 /nfs/dbraw/zinc/28/67/68/676286768.db2.gz FDVORSBRKSKZIP-SJORKVTESA-N 2 2 336.439 2.284 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632023 676286770 /nfs/dbraw/zinc/28/67/70/676286770.db2.gz FDVORSBRKSKZIP-SJORKVTESA-N 2 2 336.439 2.284 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001021705410 676366028 /nfs/dbraw/zinc/36/60/28/676366028.db2.gz ZYQVKDFURZPXDC-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001021705410 676366030 /nfs/dbraw/zinc/36/60/30/676366030.db2.gz ZYQVKDFURZPXDC-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514233 679352396 /nfs/dbraw/zinc/35/23/96/679352396.db2.gz JMCUOCAMJJCSKY-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514233 679352399 /nfs/dbraw/zinc/35/23/99/679352399.db2.gz JMCUOCAMJJCSKY-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024469135 679936655 /nfs/dbraw/zinc/93/66/55/679936655.db2.gz VYDYVUUQWBZBTA-INIZCTEOSA-N 2 2 333.501 2.417 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024469135 679936649 /nfs/dbraw/zinc/93/66/49/679936649.db2.gz VYDYVUUQWBZBTA-INIZCTEOSA-N 2 2 333.501 2.417 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974745783 685368943 /nfs/dbraw/zinc/36/89/43/685368943.db2.gz XRVZFYUJNNKMDY-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974745783 685368949 /nfs/dbraw/zinc/36/89/49/685368949.db2.gz XRVZFYUJNNKMDY-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755213 682103790 /nfs/dbraw/zinc/10/37/90/682103790.db2.gz ISQNINNDBPYWPE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755213 682103794 /nfs/dbraw/zinc/10/37/94/682103794.db2.gz ISQNINNDBPYWPE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001028755213 682103797 /nfs/dbraw/zinc/10/37/97/682103797.db2.gz ISQNINNDBPYWPE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001028755213 682103800 /nfs/dbraw/zinc/10/38/00/682103800.db2.gz ISQNINNDBPYWPE-IEBWSBKVSA-N 2 2 349.519 2.034 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225389 682249095 /nfs/dbraw/zinc/24/90/95/682249095.db2.gz DSQJAEMMLRPDIR-DLBZAZTESA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025225389 682249100 /nfs/dbraw/zinc/24/91/00/682249100.db2.gz DSQJAEMMLRPDIR-DLBZAZTESA-N 2 2 328.460 2.211 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254651 682343710 /nfs/dbraw/zinc/34/37/10/682343710.db2.gz MHTPVKUGCDEIGZ-QZTJIDSGSA-N 2 2 328.460 2.142 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254651 682343714 /nfs/dbraw/zinc/34/37/14/682343714.db2.gz MHTPVKUGCDEIGZ-QZTJIDSGSA-N 2 2 328.460 2.142 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025288279 682395630 /nfs/dbraw/zinc/39/56/30/682395630.db2.gz KIOAVDYCVVBEEO-CVEARBPZSA-N 2 2 328.460 2.166 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025288279 682395634 /nfs/dbraw/zinc/39/56/34/682395634.db2.gz KIOAVDYCVVBEEO-CVEARBPZSA-N 2 2 328.460 2.166 20 30 EEEDLP CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261942640 682507177 /nfs/dbraw/zinc/50/71/77/682507177.db2.gz DUMGVQAVDAVBQK-IRXDYDNUSA-N 2 2 347.507 2.427 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025587072 683053892 /nfs/dbraw/zinc/05/38/92/683053892.db2.gz IPICVPBSYNLWIP-HZPDHXFCSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025587072 683053895 /nfs/dbraw/zinc/05/38/95/683053895.db2.gz IPICVPBSYNLWIP-HZPDHXFCSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989193174 691510939 /nfs/dbraw/zinc/51/09/39/691510939.db2.gz JBHGVNHEKREJEG-ZIAGYGMSSA-N 2 2 336.867 2.093 20 30 EEEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088408290 1186817916 /nfs/dbraw/zinc/81/79/16/1186817916.db2.gz RHFKSYXWBVEKEZ-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@@H]1C ZINC001088631609 1188018216 /nfs/dbraw/zinc/01/82/16/1188018216.db2.gz WNZSLZKHAWGJAF-NJAFHUGGSA-N 2 2 345.512 2.233 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H]1C ZINC001088631609 1188018220 /nfs/dbraw/zinc/01/82/20/1188018220.db2.gz WNZSLZKHAWGJAF-NJAFHUGGSA-N 2 2 345.512 2.233 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001088631609 1188018224 /nfs/dbraw/zinc/01/82/24/1188018224.db2.gz WNZSLZKHAWGJAF-NJAFHUGGSA-N 2 2 345.512 2.233 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001088631609 1188018228 /nfs/dbraw/zinc/01/82/28/1188018228.db2.gz WNZSLZKHAWGJAF-NJAFHUGGSA-N 2 2 345.512 2.233 20 30 EEEDLP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001105481945 1188098431 /nfs/dbraw/zinc/09/84/31/1188098431.db2.gz MOEDTFHMVLNEHK-UHFFFAOYSA-N 2 2 346.475 2.048 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353270 1194473429 /nfs/dbraw/zinc/47/34/29/1194473429.db2.gz FSJWAMPIDLQTCC-HZPDHXFCSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353270 1194473432 /nfs/dbraw/zinc/47/34/32/1194473432.db2.gz FSJWAMPIDLQTCC-HZPDHXFCSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353270 1194473427 /nfs/dbraw/zinc/47/34/27/1194473427.db2.gz FSJWAMPIDLQTCC-HZPDHXFCSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353270 1194473423 /nfs/dbraw/zinc/47/34/23/1194473423.db2.gz FSJWAMPIDLQTCC-HZPDHXFCSA-N 2 2 327.900 2.394 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034014560 1195634973 /nfs/dbraw/zinc/63/49/73/1195634973.db2.gz HZKHDXDEFOTMHP-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034014560 1195634976 /nfs/dbraw/zinc/63/49/76/1195634976.db2.gz HZKHDXDEFOTMHP-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005616642 1196550522 /nfs/dbraw/zinc/55/05/22/1196550522.db2.gz IGIGPFGJZCQSMA-MRXNPFEDSA-N 2 2 330.476 2.335 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132441207 1199723700 /nfs/dbraw/zinc/72/37/00/1199723700.db2.gz MFBOOLBMPQUFSM-APWZRJJASA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132441207 1199723704 /nfs/dbraw/zinc/72/37/04/1199723704.db2.gz MFBOOLBMPQUFSM-APWZRJJASA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132441207 1199723709 /nfs/dbraw/zinc/72/37/09/1199723709.db2.gz MFBOOLBMPQUFSM-APWZRJJASA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132441207 1199723712 /nfs/dbraw/zinc/72/37/12/1199723712.db2.gz MFBOOLBMPQUFSM-APWZRJJASA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132440989 1199723865 /nfs/dbraw/zinc/72/38/65/1199723865.db2.gz IRGFTIXQAKJNBW-HUUCEWRRSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132440989 1199723866 /nfs/dbraw/zinc/72/38/66/1199723866.db2.gz IRGFTIXQAKJNBW-HUUCEWRRSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132440989 1199723873 /nfs/dbraw/zinc/72/38/73/1199723873.db2.gz IRGFTIXQAKJNBW-HUUCEWRRSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132440989 1199723875 /nfs/dbraw/zinc/72/38/75/1199723875.db2.gz IRGFTIXQAKJNBW-HUUCEWRRSA-N 2 2 348.516 2.431 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132521578 1199830469 /nfs/dbraw/zinc/83/04/69/1199830469.db2.gz FQICZFIBFQWATO-APWZRJJASA-N 2 2 342.487 2.368 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C#N)C1 ZINC001132521578 1199830472 /nfs/dbraw/zinc/83/04/72/1199830472.db2.gz FQICZFIBFQWATO-APWZRJJASA-N 2 2 342.487 2.368 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132521578 1199830476 /nfs/dbraw/zinc/83/04/76/1199830476.db2.gz FQICZFIBFQWATO-APWZRJJASA-N 2 2 342.487 2.368 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132521578 1199830479 /nfs/dbraw/zinc/83/04/79/1199830479.db2.gz FQICZFIBFQWATO-APWZRJJASA-N 2 2 342.487 2.368 20 30 EEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095428099 1205737039 /nfs/dbraw/zinc/73/70/39/1205737039.db2.gz GVTVSIGNUKUKEL-DZVNLGKHSA-N 2 2 340.471 2.061 20 30 EEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095428099 1205737040 /nfs/dbraw/zinc/73/70/40/1205737040.db2.gz GVTVSIGNUKUKEL-DZVNLGKHSA-N 2 2 340.471 2.061 20 30 EEEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095529091 1205859303 /nfs/dbraw/zinc/85/93/03/1205859303.db2.gz CWTDTAQIJZXNHC-NCOADZHNSA-N 2 2 339.911 2.438 20 30 EEEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095529091 1205859304 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COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580657 270022925 /nfs/dbraw/zinc/02/29/25/270022925.db2.gz LFZYEDCXKODHTR-HNNXBMFYSA-N 2 2 326.400 2.169 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000272555487 267081722 /nfs/dbraw/zinc/08/17/22/267081722.db2.gz MRDJBEZPYJCVNP-UWWQBHOKSA-N 2 2 326.444 2.126 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000272555487 267081724 /nfs/dbraw/zinc/08/17/24/267081724.db2.gz MRDJBEZPYJCVNP-UWWQBHOKSA-N 2 2 326.444 2.126 20 30 EEEDLP CCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000354969539 276360282 /nfs/dbraw/zinc/36/02/82/276360282.db2.gz QWLXFLAPUPOSFR-PMACEKPBSA-N 2 2 343.471 2.306 20 30 EEEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCOCCC#N)[C@@H]1c1cnn(C)c1 ZINC000339103521 465084462 /nfs/dbraw/zinc/08/44/62/465084462.db2.gz SULYLPZQQFQTCF-SJLPKXTDSA-N 2 2 333.480 2.055 20 30 EEEDLP CC[N@H+]1CCC[C@H](C[NH+](C)CCOCCC#N)[C@@H]1c1cnn(C)c1 ZINC000339103521 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2.335 20 30 EEEDLP C=C[C@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000120412192 462996472 /nfs/dbraw/zinc/99/64/72/462996472.db2.gz ZIEOBCLJXLGMAW-QGZVFWFLSA-N 2 2 329.488 2.489 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1(C#N)CCCCC1 ZINC000081635067 463476414 /nfs/dbraw/zinc/47/64/14/463476414.db2.gz YVIZCGHHVICWMW-GOSISDBHSA-N 2 2 346.519 2.335 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1(C#N)CCCCC1 ZINC000081635067 463476419 /nfs/dbraw/zinc/47/64/19/463476419.db2.gz YVIZCGHHVICWMW-GOSISDBHSA-N 2 2 346.519 2.335 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1(C#N)CCCCC1 ZINC000081635067 463476422 /nfs/dbraw/zinc/47/64/22/463476422.db2.gz YVIZCGHHVICWMW-GOSISDBHSA-N 2 2 346.519 2.335 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1(C#N)CCCCC1 ZINC000081635067 463476426 /nfs/dbraw/zinc/47/64/26/463476426.db2.gz YVIZCGHHVICWMW-GOSISDBHSA-N 2 2 346.519 2.335 20 30 EEEDLP C=C(CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000287924277 464024626 /nfs/dbraw/zinc/02/46/26/464024626.db2.gz DBHRVMJZBOFFHC-UHFFFAOYSA-N 2 2 344.503 2.367 20 30 EEEDLP C=C(CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000287924277 464024630 /nfs/dbraw/zinc/02/46/30/464024630.db2.gz DBHRVMJZBOFFHC-UHFFFAOYSA-N 2 2 344.503 2.367 20 30 EEEDLP CN(CCC#N)C(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000271625341 464346984 /nfs/dbraw/zinc/34/69/84/464346984.db2.gz XSHHYUVVUBCINN-UHFFFAOYSA-N 2 2 330.476 2.249 20 30 EEEDLP CN(CCC#N)C(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000271625341 464346990 /nfs/dbraw/zinc/34/69/90/464346990.db2.gz XSHHYUVVUBCINN-UHFFFAOYSA-N 2 2 330.476 2.249 20 30 EEEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285607 464566646 /nfs/dbraw/zinc/56/66/46/464566646.db2.gz AKYARZXITZQGCO-IRXDYDNUSA-N 2 2 328.460 2.205 20 30 EEEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285607 464566652 /nfs/dbraw/zinc/56/66/52/464566652.db2.gz 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CC(C)[NH+]1CCN(CCC[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000191532569 464819476 /nfs/dbraw/zinc/81/94/76/464819476.db2.gz BJLIBBYNXJVLJL-UHFFFAOYSA-N 2 2 329.492 2.213 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330237131 465580651 /nfs/dbraw/zinc/58/06/51/465580651.db2.gz AMJCGEDYUOAROA-HRCADAONSA-N 2 2 345.491 2.355 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000330237131 465580658 /nfs/dbraw/zinc/58/06/58/465580658.db2.gz AMJCGEDYUOAROA-HRCADAONSA-N 2 2 345.491 2.355 20 30 EEEDLP C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330237131 465580665 /nfs/dbraw/zinc/58/06/65/465580665.db2.gz AMJCGEDYUOAROA-HRCADAONSA-N 2 2 345.491 2.355 20 30 EEEDLP C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000330237131 465580668 /nfs/dbraw/zinc/58/06/68/465580668.db2.gz AMJCGEDYUOAROA-HRCADAONSA-N 2 2 345.491 2.355 20 30 EEEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330340372 465621339 /nfs/dbraw/zinc/62/13/39/465621339.db2.gz XVQWPEQZXYAPGR-INMHGKMJSA-N 2 2 349.479 2.018 20 30 EEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366772636 465925077 /nfs/dbraw/zinc/92/50/77/465925077.db2.gz KYCMGMFSDQRQIP-KBXCAEBGSA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366772636 465925083 /nfs/dbraw/zinc/92/50/83/465925083.db2.gz KYCMGMFSDQRQIP-KBXCAEBGSA-N 2 2 326.444 2.033 20 30 EEEDLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000366882280 465993703 /nfs/dbraw/zinc/99/37/03/465993703.db2.gz KZSOJAMJPVIWPK-LJQANCHMSA-N 2 2 340.471 2.471 20 30 EEEDLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000366882280 465993705 /nfs/dbraw/zinc/99/37/05/465993705.db2.gz KZSOJAMJPVIWPK-LJQANCHMSA-N 2 2 340.471 2.471 20 30 EEEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000357550913 466127391 /nfs/dbraw/zinc/12/73/91/466127391.db2.gz IDOYZMMNQYXFFS-UHFFFAOYSA-N 2 2 327.472 2.290 20 30 EEEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000357550913 466127398 /nfs/dbraw/zinc/12/73/98/466127398.db2.gz IDOYZMMNQYXFFS-UHFFFAOYSA-N 2 2 327.472 2.290 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3snc(Cl)c3C#N)C2)CC1 ZINC000367516869 466387147 /nfs/dbraw/zinc/38/71/47/466387147.db2.gz HPXWQMZSIATADT-JTQLQIEISA-N 2 2 325.869 2.249 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3snc(Cl)c3C#N)C2)CC1 ZINC000367516869 466387155 /nfs/dbraw/zinc/38/71/55/466387155.db2.gz HPXWQMZSIATADT-JTQLQIEISA-N 2 2 325.869 2.249 20 30 EEEDLP C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364209613 466689113 /nfs/dbraw/zinc/68/91/13/466689113.db2.gz VXHGRNZCORRCLJ-MRXNPFEDSA-N 2 2 343.471 2.150 20 30 EEEDLP C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364209613 466689116 /nfs/dbraw/zinc/68/91/16/466689116.db2.gz VXHGRNZCORRCLJ-MRXNPFEDSA-N 2 2 343.471 2.150 20 30 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C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001032827221 798455221 /nfs/dbraw/zinc/45/52/21/798455221.db2.gz MYASNDRBOFMJQM-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001032827221 798455222 /nfs/dbraw/zinc/45/52/22/798455222.db2.gz MYASNDRBOFMJQM-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001032827221 798455226 /nfs/dbraw/zinc/45/52/26/798455226.db2.gz MYASNDRBOFMJQM-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001032827221 798455228 /nfs/dbraw/zinc/45/52/28/798455228.db2.gz MYASNDRBOFMJQM-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963452 798579838 /nfs/dbraw/zinc/57/98/38/798579838.db2.gz VUQVNSQNQMYZLE-KONPQCLYSA-N 2 2 328.460 2.402 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963452 798579841 /nfs/dbraw/zinc/57/98/41/798579841.db2.gz VUQVNSQNQMYZLE-KONPQCLYSA-N 2 2 328.460 2.402 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084963452 798579843 /nfs/dbraw/zinc/57/98/43/798579843.db2.gz VUQVNSQNQMYZLE-KONPQCLYSA-N 2 2 328.460 2.402 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084963452 798579846 /nfs/dbraw/zinc/57/98/46/798579846.db2.gz VUQVNSQNQMYZLE-KONPQCLYSA-N 2 2 328.460 2.402 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001176829818 798590233 /nfs/dbraw/zinc/59/02/33/798590233.db2.gz QUSFPHAMBVPXLX-INIZCTEOSA-N 2 2 339.443 2.220 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001003900367 800472469 /nfs/dbraw/zinc/47/24/69/800472469.db2.gz DYKYXIXQOQFXDP-UHFFFAOYSA-N 2 2 339.443 2.428 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673598 801027395 /nfs/dbraw/zinc/02/73/95/801027395.db2.gz ALJVNPZNFCOLJV-RBUKOAKNSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085673598 801027399 /nfs/dbraw/zinc/02/73/99/801027399.db2.gz ALJVNPZNFCOLJV-RBUKOAKNSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085673598 801027408 /nfs/dbraw/zinc/02/74/08/801027408.db2.gz ALJVNPZNFCOLJV-RBUKOAKNSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085673598 801027412 /nfs/dbraw/zinc/02/74/12/801027412.db2.gz ALJVNPZNFCOLJV-RBUKOAKNSA-N 2 2 340.471 2.075 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004458755 802124797 /nfs/dbraw/zinc/12/47/97/802124797.db2.gz QOHKGHBEMBGKJA-ZHALLVOQSA-N 2 2 340.471 2.240 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004458755 802124807 /nfs/dbraw/zinc/12/48/07/802124807.db2.gz QOHKGHBEMBGKJA-ZHALLVOQSA-N 2 2 340.471 2.240 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004458755 802124811 /nfs/dbraw/zinc/12/48/11/802124811.db2.gz QOHKGHBEMBGKJA-ZHALLVOQSA-N 2 2 340.471 2.240 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004458755 802124816 /nfs/dbraw/zinc/12/48/16/802124816.db2.gz QOHKGHBEMBGKJA-ZHALLVOQSA-N 2 2 340.471 2.240 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473066 802163260 /nfs/dbraw/zinc/16/32/60/802163260.db2.gz KBIDXJYKKFEIQW-MSOLQXFVSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473066 802163267 /nfs/dbraw/zinc/16/32/67/802163267.db2.gz KBIDXJYKKFEIQW-MSOLQXFVSA-N 2 2 342.487 2.335 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638689 802530024 /nfs/dbraw/zinc/53/00/24/802530024.db2.gz YTHGNIRCLRNYHP-HDICACEKSA-N 2 2 342.487 2.120 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638689 802530026 /nfs/dbraw/zinc/53/00/26/802530026.db2.gz YTHGNIRCLRNYHP-HDICACEKSA-N 2 2 342.487 2.120 20 30 EEEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001108690845 804357048 /nfs/dbraw/zinc/35/70/48/804357048.db2.gz VHWIAJBESPBARH-BQFCYCMXSA-N 2 2 342.487 2.307 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308067 805264447 /nfs/dbraw/zinc/26/44/47/805264447.db2.gz NJYZGPINFLBMQP-NCOADZHNSA-N 2 2 328.460 2.141 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308067 805264456 /nfs/dbraw/zinc/26/44/56/805264456.db2.gz NJYZGPINFLBMQP-NCOADZHNSA-N 2 2 328.460 2.141 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252340 808571236 /nfs/dbraw/zinc/57/12/36/808571236.db2.gz JTLGGCFLVKMSRW-LJQANCHMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252340 808571240 /nfs/dbraw/zinc/57/12/40/808571240.db2.gz JTLGGCFLVKMSRW-LJQANCHMSA-N 2 2 349.519 2.130 20 30 EEEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000442790980 242114246 /nfs/dbraw/zinc/11/42/46/242114246.db2.gz MWWYMOPNCIFTBY-WMZOPIPTSA-N 2 2 329.444 2.179 20 30 EEEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768012 166327680 /nfs/dbraw/zinc/32/76/80/166327680.db2.gz VFJAFEFWHCHBCY-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768012 166327681 /nfs/dbraw/zinc/32/76/81/166327681.db2.gz VFJAFEFWHCHBCY-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271850020 269810244 /nfs/dbraw/zinc/81/02/44/269810244.db2.gz IMRBYGUCYMYDFK-KBXCAEBGSA-N 2 2 333.501 2.225 20 30 EEEDLP Cc1[nH+]c2ccccc2n1CCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000354665259 465082738 /nfs/dbraw/zinc/08/27/38/465082738.db2.gz DGRWXNJEOQKUDA-UHFFFAOYSA-N 2 2 341.459 2.429 20 30 EEEDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156571877 463042076 /nfs/dbraw/zinc/04/20/76/463042076.db2.gz SFTIXMOALBRDOH-LZQZEXGQSA-N 2 2 349.438 2.443 20 30 EEEDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156571877 463042082 /nfs/dbraw/zinc/04/20/82/463042082.db2.gz SFTIXMOALBRDOH-LZQZEXGQSA-N 2 2 349.438 2.443 20 30 EEEDLP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1c(C)noc1C ZINC000262054160 463935110 /nfs/dbraw/zinc/93/51/10/463935110.db2.gz ZYVPHKJVTPYFSL-UHFFFAOYSA-N 2 2 330.436 2.080 20 30 EEEDLP N#CC1(CC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCCCC1 ZINC000591021006 468394668 /nfs/dbraw/zinc/39/46/68/468394668.db2.gz RGNGZTOGJXQWHP-QGZVFWFLSA-N 2 2 332.492 2.265 20 30 EEEDLP N#CC1(CC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCCCC1 ZINC000591021006 468394670 /nfs/dbraw/zinc/39/46/70/468394670.db2.gz RGNGZTOGJXQWHP-QGZVFWFLSA-N 2 2 332.492 2.265 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272821493 464691047 /nfs/dbraw/zinc/69/10/47/464691047.db2.gz FXWHQGBEDUZDPW-AEFFLSMTSA-N 2 2 336.501 2.230 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272821493 464691053 /nfs/dbraw/zinc/69/10/53/464691053.db2.gz FXWHQGBEDUZDPW-AEFFLSMTSA-N 2 2 336.501 2.230 20 30 EEEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891350 464923308 /nfs/dbraw/zinc/92/33/08/464923308.db2.gz MDECCXGWYHBOIF-RISCZKNCSA-N 2 2 346.397 2.247 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329732064 465419095 /nfs/dbraw/zinc/41/90/95/465419095.db2.gz INYDWDBIDFVYJF-CQSZACIVSA-N 2 2 331.464 2.131 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329732064 465419101 /nfs/dbraw/zinc/41/91/01/465419101.db2.gz INYDWDBIDFVYJF-CQSZACIVSA-N 2 2 331.464 2.131 20 30 EEEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(F)(C#N)CC3)c2cc1C ZINC000352466815 465531572 /nfs/dbraw/zinc/53/15/72/465531572.db2.gz GGGRRZCCEYUPKK-HNNXBMFYSA-N 2 2 330.407 2.342 20 30 EEEDLP [O-]C(NC1CC[NH+](C2CCCCC2)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330184017 465560568 /nfs/dbraw/zinc/56/05/68/465560568.db2.gz IHSQWHOGDHEFDM-MRXNPFEDSA-N 2 2 345.491 2.499 20 30 EEEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](C2CCCCC2)CC1 ZINC000330184017 465560574 /nfs/dbraw/zinc/56/05/74/465560574.db2.gz IHSQWHOGDHEFDM-MRXNPFEDSA-N 2 2 345.491 2.499 20 30 EEEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000353030864 465589901 /nfs/dbraw/zinc/58/99/01/465589901.db2.gz UHUSHVPVRMJPCH-UHFFFAOYSA-N 2 2 345.487 2.312 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000344543522 465658386 /nfs/dbraw/zinc/65/83/86/465658386.db2.gz XFOKZXLIJIZIFT-SFHVURJKSA-N 2 2 327.453 2.346 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000344543522 465658395 /nfs/dbraw/zinc/65/83/95/465658395.db2.gz XFOKZXLIJIZIFT-SFHVURJKSA-N 2 2 327.453 2.346 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000345809516 465905741 /nfs/dbraw/zinc/90/57/41/465905741.db2.gz DTBPQUPZJIGZMP-MSOLQXFVSA-N 2 2 349.523 2.269 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000345809516 465905744 /nfs/dbraw/zinc/90/57/44/465905744.db2.gz DTBPQUPZJIGZMP-MSOLQXFVSA-N 2 2 349.523 2.269 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367018823 466075464 /nfs/dbraw/zinc/07/54/64/466075464.db2.gz CTORIJFZAMDNSG-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367018823 466075471 /nfs/dbraw/zinc/07/54/71/466075471.db2.gz CTORIJFZAMDNSG-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346547991 466110943 /nfs/dbraw/zinc/11/09/43/466110943.db2.gz IFYUJYOVUVFGGF-MRXNPFEDSA-N 2 2 343.475 2.326 20 30 EEEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000367624949 466455441 /nfs/dbraw/zinc/45/54/41/466455441.db2.gz JWKUPISNDQXEGJ-UHFFFAOYSA-N 2 2 344.850 2.057 20 30 EEEDLP C#CCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372691969 466540810 /nfs/dbraw/zinc/54/08/10/466540810.db2.gz RYKXCRGOXBKBKN-QGZVFWFLSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372691969 466540814 /nfs/dbraw/zinc/54/08/14/466540814.db2.gz RYKXCRGOXBKBKN-QGZVFWFLSA-N 2 2 331.504 2.245 20 30 EEEDLP CCc1nnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1CC ZINC000370450199 466882878 /nfs/dbraw/zinc/88/28/78/466882878.db2.gz PPEYZSWAQNSFCN-CQSZACIVSA-N 2 2 342.491 2.053 20 30 EEEDLP CCc1nnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1CC ZINC000370450199 466882882 /nfs/dbraw/zinc/88/28/82/466882882.db2.gz PPEYZSWAQNSFCN-CQSZACIVSA-N 2 2 342.491 2.053 20 30 EEEDLP N#CCCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000424334978 467030429 /nfs/dbraw/zinc/03/04/29/467030429.db2.gz GVEFKHFFCNBCHU-INIZCTEOSA-N 2 2 341.415 2.262 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000439430773 467567373 /nfs/dbraw/zinc/56/73/73/467567373.db2.gz NFWZLALCKJQYIM-QGZVFWFLSA-N 2 2 332.879 2.423 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000439430773 467567375 /nfs/dbraw/zinc/56/73/75/467567375.db2.gz NFWZLALCKJQYIM-QGZVFWFLSA-N 2 2 332.879 2.423 20 30 EEEDLP C[NH+]1CCN(C[C@H]([NH2+]C[C@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000570156063 468596290 /nfs/dbraw/zinc/59/62/90/468596290.db2.gz WHDAUMLZJXIWFC-HKUYNNGSSA-N 2 2 325.460 2.008 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603910535 469444905 /nfs/dbraw/zinc/44/49/05/469444905.db2.gz SYGLQKYZGXRPBU-KURKYZTESA-N 2 2 340.471 2.090 20 30 EEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603910535 469444909 /nfs/dbraw/zinc/44/49/09/469444909.db2.gz SYGLQKYZGXRPBU-KURKYZTESA-N 2 2 340.471 2.090 20 30 EEEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489205 469479288 /nfs/dbraw/zinc/47/92/88/469479288.db2.gz NXHPTOQIODEMFH-POZUXBRTSA-N 2 2 340.471 2.327 20 30 EEEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489205 469479292 /nfs/dbraw/zinc/47/92/92/469479292.db2.gz NXHPTOQIODEMFH-POZUXBRTSA-N 2 2 340.471 2.327 20 30 EEEDLP C#CC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000192222341 526801335 /nfs/dbraw/zinc/80/13/35/526801335.db2.gz BMQORPRUUKFVBA-QGZVFWFLSA-N 2 2 333.863 2.158 20 30 EEEDLP C#CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000192222341 526801338 /nfs/dbraw/zinc/80/13/38/526801338.db2.gz BMQORPRUUKFVBA-QGZVFWFLSA-N 2 2 333.863 2.158 20 30 EEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728713205 576519755 /nfs/dbraw/zinc/51/97/55/576519755.db2.gz UONBLMDCNUKUKM-VQIMIIECSA-N 2 2 331.460 2.424 20 30 EEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728713205 576519757 /nfs/dbraw/zinc/51/97/57/576519757.db2.gz UONBLMDCNUKUKM-VQIMIIECSA-N 2 2 331.460 2.424 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)CCC)cc2)CC1 ZINC000733164116 577205991 /nfs/dbraw/zinc/20/59/91/577205991.db2.gz ZIWHIMFQGBQOHW-UHFFFAOYSA-N 2 2 327.472 2.310 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)c2ccc(C[N@H+](CC)CCC)cc2)CC1 ZINC000733164116 577205992 /nfs/dbraw/zinc/20/59/92/577205992.db2.gz ZIWHIMFQGBQOHW-UHFFFAOYSA-N 2 2 327.472 2.310 20 30 EEEDLP C=C(C[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764350989 577734664 /nfs/dbraw/zinc/73/46/64/577734664.db2.gz JMRVVWPLXFLGEZ-IYBDPMFKSA-N 2 2 331.460 2.352 20 30 EEEDLP C=C(C[NH+](C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764350989 577734665 /nfs/dbraw/zinc/73/46/65/577734665.db2.gz JMRVVWPLXFLGEZ-IYBDPMFKSA-N 2 2 331.460 2.352 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cccc4cnccc43)cn2)CC1 ZINC000755699482 577829475 /nfs/dbraw/zinc/82/94/75/577829475.db2.gz RNWKFJPYTSUREH-UHFFFAOYSA-N 2 2 347.426 2.223 20 30 EEEDLP Cc1cc(F)ccc1N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755813734 577832212 /nfs/dbraw/zinc/83/22/12/577832212.db2.gz HHMPCVPNDHNHHO-UHFFFAOYSA-N 2 2 328.395 2.122 20 30 EEEDLP C#CCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246459413 679214849 /nfs/dbraw/zinc/21/48/49/679214849.db2.gz JDANAXUTWPDAAH-RBUKOAKNSA-N 2 2 348.535 2.378 20 30 EEEDLP C#CCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246459413 679214851 /nfs/dbraw/zinc/21/48/51/679214851.db2.gz JDANAXUTWPDAAH-RBUKOAKNSA-N 2 2 348.535 2.378 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293613 682403588 /nfs/dbraw/zinc/40/35/88/682403588.db2.gz SHOXQJLXLCJKQO-ZWKOTPCHSA-N 2 2 328.460 2.129 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293613 682403590 /nfs/dbraw/zinc/40/35/90/682403590.db2.gz SHOXQJLXLCJKQO-ZWKOTPCHSA-N 2 2 328.460 2.129 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]21 ZINC001026292791 684209673 /nfs/dbraw/zinc/20/96/73/684209673.db2.gz UGYMVTCMKNVJJX-NUEKZKHPSA-N 2 2 349.862 2.212 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC001026293491 684209913 /nfs/dbraw/zinc/20/99/13/684209913.db2.gz FPKWODZDMMFWNV-BHYGNILZSA-N 2 2 329.444 2.035 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001026591557 684769179 /nfs/dbraw/zinc/76/91/79/684769179.db2.gz MXDOTUUIZZAOAM-UHFFFAOYSA-N 2 2 339.443 2.474 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974651264 685174754 /nfs/dbraw/zinc/17/47/54/685174754.db2.gz CDRLFRVGAHKNMF-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974651264 685174757 /nfs/dbraw/zinc/17/47/57/685174757.db2.gz CDRLFRVGAHKNMF-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974651264 685174759 /nfs/dbraw/zinc/17/47/59/685174759.db2.gz CDRLFRVGAHKNMF-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974651264 685174764 /nfs/dbraw/zinc/17/47/64/685174764.db2.gz CDRLFRVGAHKNMF-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989486157 691966874 /nfs/dbraw/zinc/96/68/74/691966874.db2.gz IVPOZTXLAYAYES-HZPDHXFCSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989486157 691966876 /nfs/dbraw/zinc/96/68/76/691966876.db2.gz IVPOZTXLAYAYES-HZPDHXFCSA-N 2 2 327.900 2.394 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001481899827 1182913175 /nfs/dbraw/zinc/91/31/75/1182913175.db2.gz HIYYQPVVDLLYCR-AWEZNQCLSA-N 2 2 336.867 2.217 20 30 EEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001044816396 1194444120 /nfs/dbraw/zinc/44/41/20/1194444120.db2.gz KISOFIZIAZERCY-CABCVRRESA-N 2 2 325.416 2.036 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279485 1196041614 /nfs/dbraw/zinc/04/16/14/1196041614.db2.gz TYTXMARZFMXUKO-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279485 1196041619 /nfs/dbraw/zinc/04/16/19/1196041619.db2.gz TYTXMARZFMXUKO-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279485 1196041622 /nfs/dbraw/zinc/04/16/22/1196041622.db2.gz TYTXMARZFMXUKO-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279485 1196041624 /nfs/dbraw/zinc/04/16/24/1196041624.db2.gz TYTXMARZFMXUKO-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC001034529081 1196334462 /nfs/dbraw/zinc/33/44/62/1196334462.db2.gz WKJCSAUACHFLDQ-OAHLLOKOSA-N 2 2 346.500 2.186 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC001034529081 1196334466 /nfs/dbraw/zinc/33/44/66/1196334466.db2.gz WKJCSAUACHFLDQ-OAHLLOKOSA-N 2 2 346.500 2.186 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132376152 1199636699 /nfs/dbraw/zinc/63/66/99/1199636699.db2.gz KEAMLPWOACHGRK-LPHOPBHVSA-N 2 2 342.487 2.369 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132376152 1199636705 /nfs/dbraw/zinc/63/67/05/1199636705.db2.gz KEAMLPWOACHGRK-LPHOPBHVSA-N 2 2 342.487 2.369 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544705 1199644871 /nfs/dbraw/zinc/64/48/71/1199644871.db2.gz IDTIGTWYVHPEMF-NEPJUHHUSA-N 2 2 343.269 2.124 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544705 1199644873 /nfs/dbraw/zinc/64/48/73/1199644873.db2.gz IDTIGTWYVHPEMF-NEPJUHHUSA-N 2 2 343.269 2.124 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCc2sccc2C1 ZINC001018307567 1224591938 /nfs/dbraw/zinc/59/19/38/1224591938.db2.gz WUPGPPZWSFSCPH-CALCHBBNSA-N 2 2 345.512 2.358 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCc2sccc2C1 ZINC001018307567 1224591943 /nfs/dbraw/zinc/59/19/43/1224591943.db2.gz WUPGPPZWSFSCPH-CALCHBBNSA-N 2 2 345.512 2.358 20 30 EEEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001018307567 1224591948 /nfs/dbraw/zinc/59/19/48/1224591948.db2.gz WUPGPPZWSFSCPH-CALCHBBNSA-N 2 2 345.512 2.358 20 30 EEEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCc2sccc2C1 ZINC001018307567 1224591953 /nfs/dbraw/zinc/59/19/53/1224591953.db2.gz WUPGPPZWSFSCPH-CALCHBBNSA-N 2 2 345.512 2.358 20 30 EEEDLP C[C@@H]1C(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC[N@H+]1Cc1ccccc1 ZINC000811645360 1200202173 /nfs/dbraw/zinc/20/21/73/1200202173.db2.gz JFVJMDNXNWHUQL-OLMNPRSZSA-N 2 2 325.460 2.497 20 30 EEEDLP C[C@@H]1C(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC[N@@H+]1Cc1ccccc1 ZINC000811645360 1200202179 /nfs/dbraw/zinc/20/21/79/1200202179.db2.gz JFVJMDNXNWHUQL-OLMNPRSZSA-N 2 2 325.460 2.497 20 30 EEEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001133221709 1200602120 /nfs/dbraw/zinc/60/21/20/1200602120.db2.gz FZNTWJBREBYGAW-FUHWJXTLSA-N 2 2 336.439 2.193 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130249 1204211630 /nfs/dbraw/zinc/21/16/30/1204211630.db2.gz AEELUKCRFOPGTE-GJYPPUQNSA-N 2 2 343.475 2.035 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130249 1204211633 /nfs/dbraw/zinc/21/16/33/1204211633.db2.gz AEELUKCRFOPGTE-GJYPPUQNSA-N 2 2 343.475 2.035 20 30 EEEDLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccccc3C#N)(C1)CCC2 ZINC001275965323 1205605634 /nfs/dbraw/zinc/60/56/34/1205605634.db2.gz AYTZVHKAJAIMLL-UXHICEINSA-N 2 2 340.471 2.171 20 30 EEEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)ccc1OC ZINC000925620791 1206136462 /nfs/dbraw/zinc/13/64/62/1206136462.db2.gz HZIMHFBTJOAFOL-SBCDLMKJSA-N 2 2 341.455 2.462 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566401 1209227251 /nfs/dbraw/zinc/22/72/51/1209227251.db2.gz ODTHIDHXGAGGQE-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566401 1209227255 /nfs/dbraw/zinc/22/72/55/1209227255.db2.gz ODTHIDHXGAGGQE-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566401 1209227258 /nfs/dbraw/zinc/22/72/58/1209227258.db2.gz ODTHIDHXGAGGQE-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566401 1209227261 /nfs/dbraw/zinc/22/72/61/1209227261.db2.gz ODTHIDHXGAGGQE-DLBZAZTESA-N 2 2 342.487 2.159 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567456 1209227428 /nfs/dbraw/zinc/22/74/28/1209227428.db2.gz VESUSYQCHIPHLU-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567456 1209227429 /nfs/dbraw/zinc/22/74/29/1209227429.db2.gz VESUSYQCHIPHLU-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948567754 1209227862 /nfs/dbraw/zinc/22/78/62/1209227862.db2.gz WPTLVHQWXPQEDG-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948567754 1209227865 /nfs/dbraw/zinc/22/78/65/1209227865.db2.gz WPTLVHQWXPQEDG-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000957046265 1214787945 /nfs/dbraw/zinc/78/79/45/1214787945.db2.gz MNNLUXXBUIFXDP-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390604 1217171100 /nfs/dbraw/zinc/17/11/00/1217171100.db2.gz DNHDULLEALZTIW-GOSISDBHSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390604 1217171101 /nfs/dbraw/zinc/17/11/01/1217171101.db2.gz DNHDULLEALZTIW-GOSISDBHSA-N 2 2 330.476 2.410 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386789 1217584500 /nfs/dbraw/zinc/58/45/00/1217584500.db2.gz RDKHHEZLCDRWRC-JKSUJKDBSA-N 2 2 328.460 2.024 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386789 1217584504 /nfs/dbraw/zinc/58/45/04/1217584504.db2.gz RDKHHEZLCDRWRC-JKSUJKDBSA-N 2 2 328.460 2.024 20 30 EEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000964087442 1218230471 /nfs/dbraw/zinc/23/04/71/1218230471.db2.gz BFQFLKUUVMYIJM-XYLATYTLSA-N 2 2 328.460 2.039 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001037891297 1220023278 /nfs/dbraw/zinc/02/32/78/1220023278.db2.gz JSVVCLNXZADFOT-HUUCEWRRSA-N 2 2 338.883 2.322 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967499834 1220569411 /nfs/dbraw/zinc/56/94/11/1220569411.db2.gz REYUUNPOKORPQL-VQIMIIECSA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001016909765 1226963368 /nfs/dbraw/zinc/96/33/68/1226963368.db2.gz MSZYCIMYXCCFSA-IBGZPJMESA-N 2 2 348.450 2.480 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001017852285 1227797713 /nfs/dbraw/zinc/79/77/13/1227797713.db2.gz NQUDRDSQRHLFNR-RYQLBKOJSA-N 2 2 328.460 2.005 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001017852285 1227797721 /nfs/dbraw/zinc/79/77/21/1227797721.db2.gz NQUDRDSQRHLFNR-RYQLBKOJSA-N 2 2 328.460 2.005 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038258098 1229708127 /nfs/dbraw/zinc/70/81/27/1229708127.db2.gz CYUJHZOTTPNLHT-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038258098 1229708129 /nfs/dbraw/zinc/70/81/29/1229708129.db2.gz CYUJHZOTTPNLHT-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038258098 1229708132 /nfs/dbraw/zinc/70/81/32/1229708132.db2.gz CYUJHZOTTPNLHT-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038258098 1229708136 /nfs/dbraw/zinc/70/81/36/1229708136.db2.gz CYUJHZOTTPNLHT-RTBURBONSA-N 2 2 340.471 2.122 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039188633 1230415842 /nfs/dbraw/zinc/41/58/42/1230415842.db2.gz MNPJYQRBDDXWCA-QGZVFWFLSA-N 2 2 330.476 2.397 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039188633 1230415843 /nfs/dbraw/zinc/41/58/43/1230415843.db2.gz MNPJYQRBDDXWCA-QGZVFWFLSA-N 2 2 330.476 2.397 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040252628 1231134077 /nfs/dbraw/zinc/13/40/77/1231134077.db2.gz HDEMJANTOYQZDK-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040252628 1231134080 /nfs/dbraw/zinc/13/40/80/1231134080.db2.gz HDEMJANTOYQZDK-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001040252628 1231134081 /nfs/dbraw/zinc/13/40/81/1231134081.db2.gz HDEMJANTOYQZDK-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001040252628 1231134085 /nfs/dbraw/zinc/13/40/85/1231134085.db2.gz HDEMJANTOYQZDK-GPMSIDNRSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001040271993 1231145471 /nfs/dbraw/zinc/14/54/71/1231145471.db2.gz WLAXJNFLCWDGOT-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001040271993 1231145472 /nfs/dbraw/zinc/14/54/72/1231145472.db2.gz WLAXJNFLCWDGOT-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040390010 1231202007 /nfs/dbraw/zinc/20/20/07/1231202007.db2.gz YGFZNOQEJTVWQM-JXFKEZNVSA-N 2 2 340.471 2.167 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040390010 1231202012 /nfs/dbraw/zinc/20/20/12/1231202012.db2.gz YGFZNOQEJTVWQM-JXFKEZNVSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443171 1231236111 /nfs/dbraw/zinc/23/61/11/1231236111.db2.gz HVICBHQAMCSRBG-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443171 1231236116 /nfs/dbraw/zinc/23/61/16/1231236116.db2.gz HVICBHQAMCSRBG-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443171 1231236119 /nfs/dbraw/zinc/23/61/19/1231236119.db2.gz HVICBHQAMCSRBG-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443171 1231236124 /nfs/dbraw/zinc/23/61/24/1231236124.db2.gz HVICBHQAMCSRBG-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041767106 1231683692 /nfs/dbraw/zinc/68/36/92/1231683692.db2.gz FAKDCUPSWRZWNI-FQEVSTJZSA-N 2 2 334.423 2.044 20 30 EEEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041767106 1231683694 /nfs/dbraw/zinc/68/36/94/1231683694.db2.gz FAKDCUPSWRZWNI-FQEVSTJZSA-N 2 2 334.423 2.044 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001042067031 1231865248 /nfs/dbraw/zinc/86/52/48/1231865248.db2.gz NJWTUISJWRXYNA-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001042067031 1231865252 /nfs/dbraw/zinc/86/52/52/1231865252.db2.gz NJWTUISJWRXYNA-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042297852 1232012936 /nfs/dbraw/zinc/01/29/36/1232012936.db2.gz WMHTXNWKEZROJP-YLJYHZDGSA-N 2 2 348.450 2.432 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042297852 1232012937 /nfs/dbraw/zinc/01/29/37/1232012937.db2.gz WMHTXNWKEZROJP-YLJYHZDGSA-N 2 2 348.450 2.432 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001045948687 1234212869 /nfs/dbraw/zinc/21/28/69/1234212869.db2.gz PMZGOWRHLDGFJI-YLJYHZDGSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001045948687 1234212871 /nfs/dbraw/zinc/21/28/71/1234212871.db2.gz PMZGOWRHLDGFJI-YLJYHZDGSA-N 2 2 342.487 2.336 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC#Cc2ccccc2)C1 ZINC001046557730 1234936995 /nfs/dbraw/zinc/93/69/95/1234936995.db2.gz OHOJCDURBGGUMI-PZJWPPBQSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC#Cc2ccccc2)C1 ZINC001046557730 1234936997 /nfs/dbraw/zinc/93/69/97/1234936997.db2.gz OHOJCDURBGGUMI-PZJWPPBQSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046557730 1234936998 /nfs/dbraw/zinc/93/69/98/1234936998.db2.gz OHOJCDURBGGUMI-PZJWPPBQSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046557730 1234937001 /nfs/dbraw/zinc/93/70/01/1234937001.db2.gz OHOJCDURBGGUMI-PZJWPPBQSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001001013388 1241447346 /nfs/dbraw/zinc/44/73/46/1241447346.db2.gz DMHDKEVPONCKRG-HOTGVXAUSA-N 2 2 336.867 2.017 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001050577918 1243876993 /nfs/dbraw/zinc/87/69/93/1243876993.db2.gz YTKYFUKMHLRRCB-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052725190 1244846413 /nfs/dbraw/zinc/84/64/13/1244846413.db2.gz KOWPCTMQNRGDDB-RRFJBIMHSA-N 2 2 336.867 2.247 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052725190 1244846426 /nfs/dbraw/zinc/84/64/26/1244846426.db2.gz KOWPCTMQNRGDDB-RRFJBIMHSA-N 2 2 336.867 2.247 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001052838865 1245362338 /nfs/dbraw/zinc/36/23/38/1245362338.db2.gz LJEDGHJQGHNZJP-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001052838865 1245362344 /nfs/dbraw/zinc/36/23/44/1245362344.db2.gz LJEDGHJQGHNZJP-HNNXBMFYSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001053051780 1245774594 /nfs/dbraw/zinc/77/45/94/1245774594.db2.gz RBJZMFBDPOFSTI-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001053051780 1245774601 /nfs/dbraw/zinc/77/46/01/1245774601.db2.gz RBJZMFBDPOFSTI-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104580 1245918628 /nfs/dbraw/zinc/91/86/28/1245918628.db2.gz HDRPYLQGVVVMLG-HKUYNNGSSA-N 2 2 342.487 2.377 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104580 1245918637 /nfs/dbraw/zinc/91/86/37/1245918637.db2.gz HDRPYLQGVVVMLG-HKUYNNGSSA-N 2 2 342.487 2.377 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)O2 ZINC001053673680 1246626049 /nfs/dbraw/zinc/62/60/49/1246626049.db2.gz FGYKDRUHRVDSCL-MSOLQXFVSA-N 2 2 349.519 2.175 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054228733 1247783327 /nfs/dbraw/zinc/78/33/27/1247783327.db2.gz YIZNKKFZCMYPSA-LJQANCHMSA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054228733 1247783341 /nfs/dbraw/zinc/78/33/41/1247783341.db2.gz YIZNKKFZCMYPSA-LJQANCHMSA-N 2 2 330.476 2.243 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054289431 1248019163 /nfs/dbraw/zinc/01/91/63/1248019163.db2.gz GJAPUNOQVAVOCL-FXAWDEMLSA-N 2 2 339.483 2.372 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054289431 1248019172 /nfs/dbraw/zinc/01/91/72/1248019172.db2.gz GJAPUNOQVAVOCL-FXAWDEMLSA-N 2 2 339.483 2.372 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524243 1289653099 /nfs/dbraw/zinc/65/30/99/1289653099.db2.gz GYLVVONSARSMSJ-DLBZAZTESA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001201802063 1289758774 /nfs/dbraw/zinc/75/87/74/1289758774.db2.gz ZAYOIJRLIGZHBE-GOSISDBHSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001201802063 1289758785 /nfs/dbraw/zinc/75/87/85/1289758785.db2.gz ZAYOIJRLIGZHBE-GOSISDBHSA-N 2 2 337.508 2.034 20 30 EEEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218848756 1297827010 /nfs/dbraw/zinc/82/70/10/1297827010.db2.gz RHHQHTILYHUONT-IBGZPJMESA-N 2 2 345.406 2.312 20 30 EEEDLP C#C[C@](C)([NH3+])C(=O)n1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001219005134 1297902971 /nfs/dbraw/zinc/90/29/71/1297902971.db2.gz DEVHLAPBHOIGSN-FQEVSTJZSA-N 2 2 348.406 2.246 20 30 EEEDLP C=CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001225550768 1301053861 /nfs/dbraw/zinc/05/38/61/1301053861.db2.gz CKIKGYPCFIPQTA-UHFFFAOYSA-N 2 2 333.501 2.120 20 30 EEEDLP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001225550768 1301053875 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20 30 EEEDLP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001252490943 1317615753 /nfs/dbraw/zinc/61/57/53/1317615753.db2.gz LJQUMRWBPIZFEY-SFHVURJKSA-N 2 2 336.451 2.252 20 30 EEEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156063642 1317859501 /nfs/dbraw/zinc/85/95/01/1317859501.db2.gz AHWDAXVZJZMPPC-CQSZACIVSA-N 2 2 347.850 2.460 20 30 EEEDLP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156063642 1317859508 /nfs/dbraw/zinc/85/95/08/1317859508.db2.gz AHWDAXVZJZMPPC-CQSZACIVSA-N 2 2 347.850 2.460 20 30 EEEDLP C=C[C@H](O)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001253582645 1317888561 /nfs/dbraw/zinc/88/85/61/1317888561.db2.gz RODBRDZTCIHGBU-KRWDZBQOSA-N 2 2 327.428 2.212 20 30 EEEDLP C=C[C@H](O)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001253582645 1317888566 /nfs/dbraw/zinc/88/85/66/1317888566.db2.gz RODBRDZTCIHGBU-KRWDZBQOSA-N 2 2 327.428 2.212 20 30 EEEDLP C=C[C@H](O)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001253582645 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CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223077 784103133 /nfs/dbraw/zinc/10/31/33/784103133.db2.gz KRELXZHTCAITFU-INIZCTEOSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997761943 791018217 /nfs/dbraw/zinc/01/82/17/791018217.db2.gz HASKYUPLUHSHEM-USXIJHARSA-N 2 2 330.476 2.316 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086799937 784653179 /nfs/dbraw/zinc/65/31/79/784653179.db2.gz MQGAWYUOXDGMCN-MJBXVCDLSA-N 2 2 336.867 2.457 20 30 EEEDLP C=CCCCCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127771991 787214124 /nfs/dbraw/zinc/21/41/24/787214124.db2.gz BIEPTIQSZGCUFH-KRWDZBQOSA-N 2 2 333.480 2.242 20 30 EEEDLP C=CCCCCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127771991 787214129 /nfs/dbraw/zinc/21/41/29/787214129.db2.gz BIEPTIQSZGCUFH-KRWDZBQOSA-N 2 2 333.480 2.242 20 30 EEEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000997085080 788739474 /nfs/dbraw/zinc/73/94/74/788739474.db2.gz MXEQEPWQSITZBR-MRXNPFEDSA-N 2 2 338.455 2.496 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991446490 788805599 /nfs/dbraw/zinc/80/55/99/788805599.db2.gz LHKAWGCLZXDRGQ-VDZJLULYSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991446490 788805607 /nfs/dbraw/zinc/80/56/07/788805607.db2.gz LHKAWGCLZXDRGQ-VDZJLULYSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991469380 789008811 /nfs/dbraw/zinc/00/88/11/789008811.db2.gz GDJBIICJDSNALV-GPMSIDNRSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991469380 789008823 /nfs/dbraw/zinc/00/88/23/789008823.db2.gz GDJBIICJDSNALV-GPMSIDNRSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477029 789031632 /nfs/dbraw/zinc/03/16/32/789031632.db2.gz WOGOBQKGLRIEPA-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477029 789031637 /nfs/dbraw/zinc/03/16/37/789031637.db2.gz WOGOBQKGLRIEPA-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP C[NH+]=C(NCc1c(C)noc1C)NCc1ccccc1-n1cc[nH+]c1 ZINC000156347644 789072211 /nfs/dbraw/zinc/07/22/11/789072211.db2.gz KQXRJIXKUFIFDZ-UHFFFAOYSA-N 2 2 338.415 2.342 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=C)Cl)CC1 ZINC000997146577 789098128 /nfs/dbraw/zinc/09/81/28/789098128.db2.gz DKSSBLMXJFZLLV-WBVHZDCISA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=C)Cl)CC1 ZINC000997146577 789098134 /nfs/dbraw/zinc/09/81/34/789098134.db2.gz DKSSBLMXJFZLLV-WBVHZDCISA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997818613 791221558 /nfs/dbraw/zinc/22/15/58/791221558.db2.gz SQUDXJBRIACJCF-INIZCTEOSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998045279 791882402 /nfs/dbraw/zinc/88/24/02/791882402.db2.gz JSZAFYAAOWAIFN-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998045279 791882407 /nfs/dbraw/zinc/88/24/07/791882407.db2.gz JSZAFYAAOWAIFN-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998045279 791882408 /nfs/dbraw/zinc/88/24/08/791882408.db2.gz JSZAFYAAOWAIFN-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998045279 791882412 /nfs/dbraw/zinc/88/24/12/791882412.db2.gz JSZAFYAAOWAIFN-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086919955 792983914 /nfs/dbraw/zinc/98/39/14/792983914.db2.gz CETPIASHNVYECI-MRXNPFEDSA-N 2 2 328.460 2.069 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001086929249 793056326 /nfs/dbraw/zinc/05/63/26/793056326.db2.gz BCNAHCLNASOOGT-SJORKVTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992672973 795073824 /nfs/dbraw/zinc/07/38/24/795073824.db2.gz VVFFMTRMKYBKQT-SOUVJXGZSA-N 2 2 336.867 2.312 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001093540979 795347610 /nfs/dbraw/zinc/34/76/10/795347610.db2.gz WWNFCIZBANRWQC-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001093540979 795347616 /nfs/dbraw/zinc/34/76/16/795347616.db2.gz WWNFCIZBANRWQC-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080192114 795695183 /nfs/dbraw/zinc/69/51/83/795695183.db2.gz GFZWPPKHWPZJEK-DAXOMENPSA-N 2 2 325.884 2.050 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080192114 795695189 /nfs/dbraw/zinc/69/51/89/795695189.db2.gz GFZWPPKHWPZJEK-DAXOMENPSA-N 2 2 325.884 2.050 20 30 EEEDLP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528299 796629174 /nfs/dbraw/zinc/62/91/74/796629174.db2.gz QXIZZHPRKFQKKH-HNNXBMFYSA-N 2 2 342.443 2.091 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605045 796656672 /nfs/dbraw/zinc/65/66/72/796656672.db2.gz MFJKIBORWZXUMU-LSDHHAIUSA-N 2 2 338.883 2.463 20 30 EEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001172297181 796964033 /nfs/dbraw/zinc/96/40/33/796964033.db2.gz BVIPJMCILIULGA-NDXORKPFSA-N 2 2 334.467 2.291 20 30 EEEDLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970578 797176254 /nfs/dbraw/zinc/17/62/54/797176254.db2.gz HNQIQHZCBHVFBV-JYJNAYRXSA-N 2 2 336.480 2.352 20 30 EEEDLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423816 797443020 /nfs/dbraw/zinc/44/30/20/797443020.db2.gz NGVLESWGDVXZAJ-IBGZPJMESA-N 2 2 340.471 2.235 20 30 EEEDLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173423816 797443023 /nfs/dbraw/zinc/44/30/23/797443023.db2.gz NGVLESWGDVXZAJ-IBGZPJMESA-N 2 2 340.471 2.235 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003205813 799366122 /nfs/dbraw/zinc/36/61/22/799366122.db2.gz DFPCYVBGFCXCMT-HNNXBMFYSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003205813 799366131 /nfs/dbraw/zinc/36/61/31/799366131.db2.gz DFPCYVBGFCXCMT-HNNXBMFYSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852521 799652885 /nfs/dbraw/zinc/65/28/85/799652885.db2.gz UCNRMATWKXASSL-OAHLLOKOSA-N 2 2 338.883 2.464 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178870391 799664035 /nfs/dbraw/zinc/66/40/35/799664035.db2.gz CATNKTODPQAYAV-HNNXBMFYSA-N 2 2 338.883 2.464 20 30 EEEDLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179901614 800151179 /nfs/dbraw/zinc/15/11/79/800151179.db2.gz DJEUGPCWJZXIPE-UHFFFAOYSA-N 2 2 338.455 2.270 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001085307822 800342817 /nfs/dbraw/zinc/34/28/17/800342817.db2.gz QKOVTRQLFCJYGK-GUDVDZBRSA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001085307822 800342825 /nfs/dbraw/zinc/34/28/25/800342825.db2.gz QKOVTRQLFCJYGK-GUDVDZBRSA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085337627 800377012 /nfs/dbraw/zinc/37/70/12/800377012.db2.gz KWZNCAPGLQVGPX-KBUPBQIOSA-N 2 2 336.867 2.293 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001181951720 800973396 /nfs/dbraw/zinc/97/33/96/800973396.db2.gz GAHBTIJBJDGHSG-ZXYWRSMDSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001181951720 800973402 /nfs/dbraw/zinc/97/34/02/800973402.db2.gz GAHBTIJBJDGHSG-ZXYWRSMDSA-N 2 2 330.476 2.083 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C)cc1 ZINC001085647574 800985630 /nfs/dbraw/zinc/98/56/30/800985630.db2.gz OVQWSZFVFRRLJA-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C)cc1 ZINC001085647574 800985632 /nfs/dbraw/zinc/98/56/32/800985632.db2.gz OVQWSZFVFRRLJA-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C)cc1 ZINC001085647574 800985637 /nfs/dbraw/zinc/98/56/37/800985637.db2.gz OVQWSZFVFRRLJA-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C)cc1 ZINC001085647574 800985640 /nfs/dbraw/zinc/98/56/40/800985640.db2.gz OVQWSZFVFRRLJA-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108206590 801117067 /nfs/dbraw/zinc/11/70/67/801117067.db2.gz HHCVGEGBYWRUCG-BEFAXECRSA-N 2 2 346.475 2.003 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108206590 801117071 /nfs/dbraw/zinc/11/70/71/801117071.db2.gz HHCVGEGBYWRUCG-BEFAXECRSA-N 2 2 346.475 2.003 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001184437331 802018432 /nfs/dbraw/zinc/01/84/32/802018432.db2.gz UQTVZCJKTUSHGX-DLBZAZTESA-N 2 2 344.503 2.412 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184850150 802198800 /nfs/dbraw/zinc/19/88/00/802198800.db2.gz BWEYTPUYZPYNHZ-DZGCQCFKSA-N 2 2 338.883 2.179 20 30 EEEDLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]Cc1ccccc1C#N ZINC001568182878 1124344417 /nfs/dbraw/zinc/34/44/17/1124344417.db2.gz SFZIGFWHFMNCJA-HNNXBMFYSA-N 2 2 347.422 2.362 20 30 EEEDLP N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000424338911 240908747 /nfs/dbraw/zinc/90/87/47/240908747.db2.gz PBCOASLCWKECOH-MRXNPFEDSA-N 2 2 341.415 2.262 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000329329915 465301490 /nfs/dbraw/zinc/30/14/90/465301490.db2.gz YUFDGUFQCSTRES-GDBMZVCRSA-N 2 2 327.432 2.164 20 30 EEEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000329329915 465301496 /nfs/dbraw/zinc/30/14/96/465301496.db2.gz YUFDGUFQCSTRES-GDBMZVCRSA-N 2 2 327.432 2.164 20 30 EEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477539 462651876 /nfs/dbraw/zinc/65/18/76/462651876.db2.gz IFAVAEZZHBWYPY-JKSUJKDBSA-N 2 2 346.450 2.344 20 30 EEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477539 462651880 /nfs/dbraw/zinc/65/18/80/462651880.db2.gz IFAVAEZZHBWYPY-JKSUJKDBSA-N 2 2 346.450 2.344 20 30 EEEDLP C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000075766455 462757243 /nfs/dbraw/zinc/75/72/43/462757243.db2.gz WJUSLTBDILCHSN-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000075766455 462757249 /nfs/dbraw/zinc/75/72/49/462757249.db2.gz WJUSLTBDILCHSN-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000075766455 462757255 /nfs/dbraw/zinc/75/72/55/462757255.db2.gz WJUSLTBDILCHSN-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000075766455 462757260 /nfs/dbraw/zinc/75/72/60/462757260.db2.gz WJUSLTBDILCHSN-HNNXBMFYSA-N 2 2 325.416 2.382 20 30 EEEDLP C#C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000491263546 468336183 /nfs/dbraw/zinc/33/61/83/468336183.db2.gz ASMDZCXYGGOHFF-QGZVFWFLSA-N 2 2 348.535 2.284 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1[nH+]ccn1CC)C(C)C ZINC000298535301 465424995 /nfs/dbraw/zinc/42/49/95/465424995.db2.gz VNYCFTSYHRNTTN-MRXNPFEDSA-N 2 2 333.480 2.401 20 30 EEEDLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268369721 463720243 /nfs/dbraw/zinc/72/02/43/463720243.db2.gz HMAZILJTRSLRFN-SZVBFZGTSA-N 2 2 340.427 2.078 20 30 EEEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000268369721 463720246 /nfs/dbraw/zinc/72/02/46/463720246.db2.gz HMAZILJTRSLRFN-SZVBFZGTSA-N 2 2 340.427 2.078 20 30 EEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N(C)Cc1ccon1 ZINC000261694395 463829975 /nfs/dbraw/zinc/82/99/75/463829975.db2.gz FMFSGYYRTPWNEK-CYBMUJFWSA-N 2 2 347.488 2.190 20 30 EEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N(C)Cc1ccon1 ZINC000261694395 463829978 /nfs/dbraw/zinc/82/99/78/463829978.db2.gz FMFSGYYRTPWNEK-CYBMUJFWSA-N 2 2 347.488 2.190 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)C(C)C ZINC000172380325 464067594 /nfs/dbraw/zinc/06/75/94/464067594.db2.gz LEMVCTGRIYPODQ-KRWDZBQOSA-N 2 2 345.491 2.424 20 30 EEEDLP CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245805716 464515434 /nfs/dbraw/zinc/51/54/34/464515434.db2.gz PYLVDQHITGVROF-ZHALLVOQSA-N 2 2 342.487 2.247 20 30 EEEDLP CC[NH+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245805716 464515442 /nfs/dbraw/zinc/51/54/42/464515442.db2.gz PYLVDQHITGVROF-ZHALLVOQSA-N 2 2 342.487 2.247 20 30 EEEDLP CC[NH+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245805716 464515446 /nfs/dbraw/zinc/51/54/46/464515446.db2.gz PYLVDQHITGVROF-ZHALLVOQSA-N 2 2 342.487 2.247 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000182020913 464553145 /nfs/dbraw/zinc/55/31/45/464553145.db2.gz NBBOLWFETHITLK-IBGZPJMESA-N 2 2 335.455 2.393 20 30 EEEDLP C[C@H]1C[NH+]=C(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)S1 ZINC000177214881 464961112 /nfs/dbraw/zinc/96/11/12/464961112.db2.gz NPUYLEPANCVKFK-AWEZNQCLSA-N 2 2 330.457 2.046 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000329999452 465501774 /nfs/dbraw/zinc/50/17/74/465501774.db2.gz UUAGOVWIQLJZTQ-UHFFFAOYSA-N 2 2 342.447 2.178 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360621379 465585154 /nfs/dbraw/zinc/58/51/54/465585154.db2.gz XXPGEGXEGYMTBR-RXVVDRJESA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360621379 465585161 /nfs/dbraw/zinc/58/51/61/465585161.db2.gz XXPGEGXEGYMTBR-RXVVDRJESA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360621379 465585169 /nfs/dbraw/zinc/58/51/69/465585169.db2.gz XXPGEGXEGYMTBR-RXVVDRJESA-N 2 2 339.483 2.112 20 30 EEEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360621379 465585178 /nfs/dbraw/zinc/58/51/78/465585178.db2.gz XXPGEGXEGYMTBR-RXVVDRJESA-N 2 2 339.483 2.112 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000373100650 466692345 /nfs/dbraw/zinc/69/23/45/466692345.db2.gz SOLJPDRBRFLVHP-ZDUSSCGKSA-N 2 2 329.429 2.171 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000373100650 466692348 /nfs/dbraw/zinc/69/23/48/466692348.db2.gz SOLJPDRBRFLVHP-ZDUSSCGKSA-N 2 2 329.429 2.171 20 30 EEEDLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000373109831 466696050 /nfs/dbraw/zinc/69/60/50/466696050.db2.gz HHUWYLAASYWWTL-MRXNPFEDSA-N 2 2 343.475 2.284 20 30 EEEDLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000373109831 466696053 /nfs/dbraw/zinc/69/60/53/466696053.db2.gz HHUWYLAASYWWTL-MRXNPFEDSA-N 2 2 343.475 2.284 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)CC1 ZINC000374883686 466758606 /nfs/dbraw/zinc/75/86/06/466758606.db2.gz XOKLEJRZGZEVFY-SFHVURJKSA-N 2 2 345.874 2.158 20 30 EEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000375891976 466881197 /nfs/dbraw/zinc/88/11/97/466881197.db2.gz SOZNEXVVYJPCDI-IBGZPJMESA-N 2 2 330.451 2.298 20 30 EEEDLP C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425245208 467090263 /nfs/dbraw/zinc/09/02/63/467090263.db2.gz IVWUWGSDWFKALP-OAHLLOKOSA-N 2 2 339.487 2.047 20 30 EEEDLP C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425245208 467090264 /nfs/dbraw/zinc/09/02/64/467090264.db2.gz IVWUWGSDWFKALP-OAHLLOKOSA-N 2 2 339.487 2.047 20 30 EEEDLP Cc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1C#N ZINC000443986308 467581516 /nfs/dbraw/zinc/58/15/16/467581516.db2.gz IINPLSVZIABHLH-LJQANCHMSA-N 2 2 335.455 3.014 20 30 EEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600738773 468643163 /nfs/dbraw/zinc/64/31/63/468643163.db2.gz KZOKIULVCUASHA-RBUKOAKNSA-N 2 2 345.487 2.398 20 30 EEEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000361578491 485659723 /nfs/dbraw/zinc/65/97/23/485659723.db2.gz YQJXEZISTNESOF-UHFFFAOYSA-N 2 2 329.429 2.482 20 30 EEEDLP N#CCCN(C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000109794115 534631447 /nfs/dbraw/zinc/63/14/47/534631447.db2.gz NVTDKMAMVPGIOD-UHFFFAOYSA-N 2 2 337.427 2.467 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000732277738 577164189 /nfs/dbraw/zinc/16/41/89/577164189.db2.gz NXZZEVPLRSWCAI-KRWDZBQOSA-N 2 2 333.863 2.110 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936187 577796698 /nfs/dbraw/zinc/79/66/98/577796698.db2.gz SABYAIFETRELKN-PVAVHDDUSA-N 2 2 325.460 2.354 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936187 577796699 /nfs/dbraw/zinc/79/66/99/577796699.db2.gz SABYAIFETRELKN-PVAVHDDUSA-N 2 2 325.460 2.354 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000748814212 577967149 /nfs/dbraw/zinc/96/71/49/577967149.db2.gz WIRVOLGQFIAQCU-UHFFFAOYSA-N 2 2 345.874 2.082 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000748814212 577967150 /nfs/dbraw/zinc/96/71/50/577967150.db2.gz WIRVOLGQFIAQCU-UHFFFAOYSA-N 2 2 345.874 2.082 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)CC1 ZINC000748812223 577967215 /nfs/dbraw/zinc/96/72/15/577967215.db2.gz ANVYZEXNEPITGY-GOSISDBHSA-N 2 2 327.472 2.074 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2C)CC1 ZINC000748812223 577967216 /nfs/dbraw/zinc/96/72/16/577967216.db2.gz ANVYZEXNEPITGY-GOSISDBHSA-N 2 2 327.472 2.074 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635591 676290458 /nfs/dbraw/zinc/29/04/58/676290458.db2.gz KWMKKOFKRWIDIP-JKSUJKDBSA-N 2 2 336.867 2.257 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646449 676302126 /nfs/dbraw/zinc/30/21/26/676302126.db2.gz OUQPJJXCYDUTRL-CVEARBPZSA-N 2 2 336.867 2.339 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646449 676302128 /nfs/dbraw/zinc/30/21/28/676302128.db2.gz OUQPJJXCYDUTRL-CVEARBPZSA-N 2 2 336.867 2.339 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296846 682410816 /nfs/dbraw/zinc/41/08/16/682410816.db2.gz LSSVSVUQMGHFEF-QZTJIDSGSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296846 682410818 /nfs/dbraw/zinc/41/08/18/682410818.db2.gz LSSVSVUQMGHFEF-QZTJIDSGSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990814792 693908765 /nfs/dbraw/zinc/90/87/65/693908765.db2.gz JGERTMHKRKXYTG-APWZRJJASA-N 2 2 328.460 2.061 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990814792 693908767 /nfs/dbraw/zinc/90/87/67/693908767.db2.gz JGERTMHKRKXYTG-APWZRJJASA-N 2 2 328.460 2.061 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966643 685788433 /nfs/dbraw/zinc/78/84/33/685788433.db2.gz CHBUGUUMFYZIPD-SOUVJXGZSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966643 685788443 /nfs/dbraw/zinc/78/84/43/685788443.db2.gz CHBUGUUMFYZIPD-SOUVJXGZSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966643 685788448 /nfs/dbraw/zinc/78/84/48/685788448.db2.gz CHBUGUUMFYZIPD-SOUVJXGZSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966643 685788454 /nfs/dbraw/zinc/78/84/54/685788454.db2.gz CHBUGUUMFYZIPD-SOUVJXGZSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988875729 691272837 /nfs/dbraw/zinc/27/28/37/691272837.db2.gz PBTGAKJBJBOVJU-KGLIPLIRSA-N 2 2 336.867 2.093 20 30 EEEDLP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482393875 1185600770 /nfs/dbraw/zinc/60/07/70/1185600770.db2.gz SEEXWWQJSWYJGP-SFHVURJKSA-N 2 2 339.443 2.145 20 30 EEEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)CCC1 ZINC001105551602 1188167239 /nfs/dbraw/zinc/16/72/39/1188167239.db2.gz IGPYIIOHRBZGJX-KRWDZBQOSA-N 2 2 342.487 2.127 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001014725321 1224242348 /nfs/dbraw/zinc/24/23/48/1224242348.db2.gz CECBAXFGFMUBKB-MSOLQXFVSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001014725321 1224242353 /nfs/dbraw/zinc/24/23/53/1224242353.db2.gz CECBAXFGFMUBKB-MSOLQXFVSA-N 2 2 349.438 2.023 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033830767 1195343781 /nfs/dbraw/zinc/34/37/81/1195343781.db2.gz NQUWRXGBRQHWHR-HOTGVXAUSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033830767 1195343785 /nfs/dbraw/zinc/34/37/85/1195343785.db2.gz NQUWRXGBRQHWHR-HOTGVXAUSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279287 1196039726 /nfs/dbraw/zinc/03/97/26/1196039726.db2.gz QYVHDPDWQBQBDB-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP 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C[C@@H]1CN(Cc2cccc(C#N)c2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343706689 161160480 /nfs/dbraw/zinc/16/04/80/161160480.db2.gz HGIPLIQGOBPRCX-OAHLLOKOSA-N 2 2 330.451 2.298 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn2ccccc2c1C#N ZINC000374421956 167039656 /nfs/dbraw/zinc/03/96/56/167039656.db2.gz QBBUUYKPPRWXEC-NSISKUIASA-N 2 2 338.455 2.494 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1C#N ZINC000374421956 167039659 /nfs/dbraw/zinc/03/96/59/167039659.db2.gz QBBUUYKPPRWXEC-NSISKUIASA-N 2 2 338.455 2.494 20 30 EEEDLP COc1cc(C#N)ccc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000270928405 266784702 /nfs/dbraw/zinc/78/47/02/266784702.db2.gz PMFCNKMAWJDKIK-UHFFFAOYSA-N 2 2 338.411 2.466 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000577121389 320234062 /nfs/dbraw/zinc/23/40/62/320234062.db2.gz LONBHIYLZAMUFL-SJLPKXTDSA-N 2 2 349.438 2.277 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 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C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001134234710 1199413759 /nfs/dbraw/zinc/41/37/59/1199413759.db2.gz JEFZSVONPBDMBQ-SJORKVTESA-N 2 2 338.455 2.267 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132376151 1199636800 /nfs/dbraw/zinc/63/68/00/1199636800.db2.gz KEAMLPWOACHGRK-APWZRJJASA-N 2 2 342.487 2.369 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132376151 1199636804 /nfs/dbraw/zinc/63/68/04/1199636804.db2.gz KEAMLPWOACHGRK-APWZRJJASA-N 2 2 342.487 2.369 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947921059 1208776956 /nfs/dbraw/zinc/77/69/56/1208776956.db2.gz KJDDBKOZKVJDOE-LSDHHAIUSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947921059 1208776958 /nfs/dbraw/zinc/77/69/58/1208776958.db2.gz KJDDBKOZKVJDOE-LSDHHAIUSA-N 2 2 325.416 2.036 20 30 EEEDLP 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1305793711 /nfs/dbraw/zinc/79/37/11/1305793711.db2.gz JNDDSZNELPKLJX-UHFFFAOYSA-N 2 2 336.277 2.266 20 30 EEEDLP C#CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237098569 1305793721 /nfs/dbraw/zinc/79/37/21/1305793721.db2.gz JNDDSZNELPKLJX-UHFFFAOYSA-N 2 2 336.277 2.266 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC001141960551 1315401848 /nfs/dbraw/zinc/40/18/48/1315401848.db2.gz VRPSVHZPNSYONH-UHFFFAOYSA-N 2 2 343.471 2.207 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380214 1316249509 /nfs/dbraw/zinc/24/95/09/1316249509.db2.gz PQSMOAYDQKKHQH-DLBZAZTESA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380214 1316249513 /nfs/dbraw/zinc/24/95/13/1316249513.db2.gz PQSMOAYDQKKHQH-DLBZAZTESA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001151415489 1316529031 /nfs/dbraw/zinc/52/90/31/1316529031.db2.gz VVVFYUGEIUWZHQ-QGZVFWFLSA-N 2 2 348.491 2.225 20 30 EEEDLP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115046 1316778867 /nfs/dbraw/zinc/77/88/67/1316778867.db2.gz KSXBKYXDLIMKTQ-QGZVFWFLSA-N 2 2 338.455 2.221 20 30 EEEDLP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115046 1316778870 /nfs/dbraw/zinc/77/88/70/1316778870.db2.gz KSXBKYXDLIMKTQ-QGZVFWFLSA-N 2 2 338.455 2.221 20 30 EEEDLP CC[C@H](CC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001255170785 1318311722 /nfs/dbraw/zinc/31/17/22/1318311722.db2.gz XTZPYSDVRVKEFM-GUDVDZBRSA-N 2 2 328.460 2.297 20 30 EEEDLP CC[C@H](CC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001255170785 1318311730 /nfs/dbraw/zinc/31/17/30/1318311730.db2.gz XTZPYSDVRVKEFM-GUDVDZBRSA-N 2 2 328.460 2.297 20 30 EEEDLP CC[C@H](CC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001255170785 1318311738 /nfs/dbraw/zinc/31/17/38/1318311738.db2.gz XTZPYSDVRVKEFM-GUDVDZBRSA-N 2 2 328.460 2.297 20 30 EEEDLP CC[C@H](CC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001255170785 1318311748 /nfs/dbraw/zinc/31/17/48/1318311748.db2.gz XTZPYSDVRVKEFM-GUDVDZBRSA-N 2 2 328.460 2.297 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(C#N)CC4)C[C@@H]3C2)cn1 ZINC001256966558 1318906447 /nfs/dbraw/zinc/90/64/47/1318906447.db2.gz KJFJKBDUGRCKMO-BEVRRMAYSA-N 2 2 327.476 2.256 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(C#N)CC4)C[C@@H]3C2)cn1 ZINC001256966558 1318906449 /nfs/dbraw/zinc/90/64/49/1318906449.db2.gz KJFJKBDUGRCKMO-BEVRRMAYSA-N 2 2 327.476 2.256 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(C#N)CC4)C[C@@H]3C2)cn1 ZINC001256966558 1318906452 /nfs/dbraw/zinc/90/64/52/1318906452.db2.gz KJFJKBDUGRCKMO-BEVRRMAYSA-N 2 2 327.476 2.256 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(C#N)CC4)C[C@@H]3C2)cn1 ZINC001256966558 1318906454 /nfs/dbraw/zinc/90/64/54/1318906454.db2.gz KJFJKBDUGRCKMO-BEVRRMAYSA-N 2 2 327.476 2.256 20 30 EEEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001157916248 1318928942 /nfs/dbraw/zinc/92/89/42/1318928942.db2.gz QCCNMSOYEOHLRR-UHFFFAOYSA-N 2 2 328.807 2.354 20 30 EEEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001162798531 1320961351 /nfs/dbraw/zinc/96/13/51/1320961351.db2.gz UYGDRCLAMOZYMQ-UHFFFAOYSA-N 2 2 326.444 2.189 20 30 EEEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001162955492 1320995759 /nfs/dbraw/zinc/99/57/59/1320995759.db2.gz HUBSVYBGLXPYHQ-KRWDZBQOSA-N 2 2 340.471 2.435 20 30 EEEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001162955492 1320995761 /nfs/dbraw/zinc/99/57/61/1320995761.db2.gz HUBSVYBGLXPYHQ-KRWDZBQOSA-N 2 2 340.471 2.435 20 30 EEEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165835638 1321594958 /nfs/dbraw/zinc/59/49/58/1321594958.db2.gz JGZTZIHOBKHHHW-INIZCTEOSA-N 2 2 330.476 2.288 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)CC1 ZINC001263081014 1322430581 /nfs/dbraw/zinc/43/05/81/1322430581.db2.gz PMTNVPYFMDUHID-UHFFFAOYSA-N 2 2 345.491 2.350 20 30 EEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553339 1323191074 /nfs/dbraw/zinc/19/10/74/1323191074.db2.gz UTIUOFZBGBYGIS-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP COCC#CC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205733603 1323273955 /nfs/dbraw/zinc/27/39/55/1323273955.db2.gz ZATZYDZXNYDZOY-UHFFFAOYSA-N 2 2 343.471 2.098 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCCO1 ZINC001200803769 1373119540 /nfs/dbraw/zinc/11/95/40/1373119540.db2.gz BJUPVVFCCGNKKB-AWEZNQCLSA-N 2 2 348.834 2.136 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001398203867 1391823949 /nfs/dbraw/zinc/82/39/49/1391823949.db2.gz FNNAQDHKWCDBQC-LSDHHAIUSA-N 2 2 338.883 2.464 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001753332791 1406730714 /nfs/dbraw/zinc/73/07/14/1406730714.db2.gz VCQDTGCKTMLBID-MRXNPFEDSA-N 2 2 330.476 2.166 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001753332791 1406730720 /nfs/dbraw/zinc/73/07/20/1406730720.db2.gz VCQDTGCKTMLBID-MRXNPFEDSA-N 2 2 330.476 2.166 20 30 EEEDLP C=C(C)CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCOCC1 ZINC001754740032 1406950246 /nfs/dbraw/zinc/95/02/46/1406950246.db2.gz KAAOZGWHFDRUIM-MRXNPFEDSA-N 2 2 334.464 2.055 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001425245762 1401528053 /nfs/dbraw/zinc/52/80/53/1401528053.db2.gz NEULXOANFKAISE-MRXNPFEDSA-N 2 2 349.906 2.350 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001425245762 1401528055 /nfs/dbraw/zinc/52/80/55/1401528055.db2.gz NEULXOANFKAISE-MRXNPFEDSA-N 2 2 349.906 2.350 20 30 EEEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001755339455 1407338632 /nfs/dbraw/zinc/33/86/32/1407338632.db2.gz JUSVDQYKZBLJJA-GOSISDBHSA-N 2 2 344.503 2.248 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103758985 1410756167 /nfs/dbraw/zinc/75/61/67/1410756167.db2.gz BDHWQIFKNXZLRU-BHIYHBOVSA-N 2 2 344.503 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103758985 1410756175 /nfs/dbraw/zinc/75/61/75/1410756175.db2.gz BDHWQIFKNXZLRU-BHIYHBOVSA-N 2 2 344.503 2.335 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271421 757609386 /nfs/dbraw/zinc/60/93/86/757609386.db2.gz QDGWIPSGENTANB-ZIAGYGMSSA-N 2 2 336.867 2.152 20 30 EEEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001104461386 760941265 /nfs/dbraw/zinc/94/12/65/760941265.db2.gz SAHKXVHNMLXYGN-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412356 768877483 /nfs/dbraw/zinc/87/74/83/768877483.db2.gz QVJNZGPMNPUCGB-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412356 768877496 /nfs/dbraw/zinc/87/74/96/768877496.db2.gz QVJNZGPMNPUCGB-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412356 768877509 /nfs/dbraw/zinc/87/75/09/768877509.db2.gz QVJNZGPMNPUCGB-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412356 768877530 /nfs/dbraw/zinc/87/75/30/768877530.db2.gz QVJNZGPMNPUCGB-BZUAXINKSA-N 2 2 328.460 2.143 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420529 768952579 /nfs/dbraw/zinc/95/25/79/768952579.db2.gz NNUOBTMOYJFVSU-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420529 768952582 /nfs/dbraw/zinc/95/25/82/768952582.db2.gz NNUOBTMOYJFVSU-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424530 769013375 /nfs/dbraw/zinc/01/33/75/769013375.db2.gz WJPHEGIQMCUTGC-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424530 769013386 /nfs/dbraw/zinc/01/33/86/769013386.db2.gz WJPHEGIQMCUTGC-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687312 774307169 /nfs/dbraw/zinc/30/71/69/774307169.db2.gz IPIJLWHOGLGDSF-INIZCTEOSA-N 2 2 331.460 2.195 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687312 774307176 /nfs/dbraw/zinc/30/71/76/774307176.db2.gz IPIJLWHOGLGDSF-INIZCTEOSA-N 2 2 331.460 2.195 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017720 776182948 /nfs/dbraw/zinc/18/29/48/776182948.db2.gz GHISOIUNNSWEFI-HNNXBMFYSA-N 2 2 345.834 2.214 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028017720 776182950 /nfs/dbraw/zinc/18/29/50/776182950.db2.gz GHISOIUNNSWEFI-HNNXBMFYSA-N 2 2 345.834 2.214 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997648937 790541091 /nfs/dbraw/zinc/54/10/91/790541091.db2.gz LHZKWBBAJZZIQT-XJKSGUPXSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997648937 790541098 /nfs/dbraw/zinc/54/10/98/790541098.db2.gz LHZKWBBAJZZIQT-XJKSGUPXSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997725930 790901724 /nfs/dbraw/zinc/90/17/24/790901724.db2.gz LAISYXFQTDDXNM-LPHOPBHVSA-N 2 2 349.519 2.033 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997725930 790901732 /nfs/dbraw/zinc/90/17/32/790901732.db2.gz LAISYXFQTDDXNM-LPHOPBHVSA-N 2 2 349.519 2.033 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135773947 784400362 /nfs/dbraw/zinc/40/03/62/784400362.db2.gz CVHUZFVQPPUVGS-CABCVRRESA-N 2 2 342.418 2.016 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997183173 789362431 /nfs/dbraw/zinc/36/24/31/789362431.db2.gz DJFDIBRZDUKUDH-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCCS1 ZINC000157360018 789758509 /nfs/dbraw/zinc/75/85/09/789758509.db2.gz GPMJRGDPMHBGDV-OAHLLOKOSA-N 2 2 329.473 2.433 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001147804339 791944297 /nfs/dbraw/zinc/94/42/97/791944297.db2.gz KPBDKYADMFOAPG-IAGOWNOFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001147804339 791944301 /nfs/dbraw/zinc/94/43/01/791944301.db2.gz KPBDKYADMFOAPG-IAGOWNOFSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304878 793781321 /nfs/dbraw/zinc/78/13/21/793781321.db2.gz PXVUTRUQNSULPG-GGPKGHCWSA-N 2 2 342.487 2.041 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304878 793781330 /nfs/dbraw/zinc/78/13/30/793781330.db2.gz PXVUTRUQNSULPG-GGPKGHCWSA-N 2 2 342.487 2.041 20 30 EEEDLP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CCO2 ZINC001093412010 795152805 /nfs/dbraw/zinc/15/28/05/795152805.db2.gz SQTXVVAIJHQJBA-UHFFFAOYSA-N 2 2 346.475 2.003 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110016403 806393029 /nfs/dbraw/zinc/39/30/29/806393029.db2.gz MRKVYSNZEUWSLE-COXVUDFISA-N 2 2 346.500 2.183 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110016403 806393038 /nfs/dbraw/zinc/39/30/38/806393038.db2.gz MRKVYSNZEUWSLE-COXVUDFISA-N 2 2 346.500 2.183 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110016403 806393047 /nfs/dbraw/zinc/39/30/47/806393047.db2.gz MRKVYSNZEUWSLE-COXVUDFISA-N 2 2 346.500 2.183 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110016403 806393057 /nfs/dbraw/zinc/39/30/57/806393057.db2.gz MRKVYSNZEUWSLE-COXVUDFISA-N 2 2 346.500 2.183 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001093537346 795333894 /nfs/dbraw/zinc/33/38/94/795333894.db2.gz PCAAGSIZRHSOEH-UHFFFAOYSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461665 795642815 /nfs/dbraw/zinc/64/28/15/795642815.db2.gz ILAUKVYMZYMOPJ-IXDOHACOSA-N 2 2 332.492 2.392 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001080715661 796346504 /nfs/dbraw/zinc/34/65/04/796346504.db2.gz CCTXMRXIJKRHPX-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001080715661 796346508 /nfs/dbraw/zinc/34/65/08/796346508.db2.gz CCTXMRXIJKRHPX-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595985 796653002 /nfs/dbraw/zinc/65/30/02/796653002.db2.gz IKIUJKZPMVMRRE-CABCVRRESA-N 2 2 338.883 2.463 20 30 EEEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C[C@H]1C#N ZINC001172977675 797179423 /nfs/dbraw/zinc/17/94/23/797179423.db2.gz DOODSBUBPHOUJX-GJZGRUSLSA-N 2 2 346.431 2.342 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175476912 798116970 /nfs/dbraw/zinc/11/69/70/798116970.db2.gz BZEQGHYGHRKOQD-HNNXBMFYSA-N 2 2 339.443 2.289 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975923 798588343 /nfs/dbraw/zinc/58/83/43/798588343.db2.gz ZBVWFBZHVHDVGZ-SQNIBIBYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975923 798588346 /nfs/dbraw/zinc/58/83/46/798588346.db2.gz ZBVWFBZHVHDVGZ-SQNIBIBYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205946 801103405 /nfs/dbraw/zinc/10/34/05/801103405.db2.gz BLSQPRYLMVRDNF-HNAYVOBHSA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205946 801103409 /nfs/dbraw/zinc/10/34/09/801103409.db2.gz BLSQPRYLMVRDNF-HNAYVOBHSA-N 2 2 346.475 2.003 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183297216 801551325 /nfs/dbraw/zinc/55/13/25/801551325.db2.gz DNTLFJPAHNUFPK-CXAGYDPISA-N 2 2 338.883 2.179 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541898 802334700 /nfs/dbraw/zinc/33/47/00/802334700.db2.gz LNYKYGQEPNCDMR-WMZOPIPTSA-N 2 2 340.471 2.166 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541898 802334711 /nfs/dbraw/zinc/33/47/11/802334711.db2.gz LNYKYGQEPNCDMR-WMZOPIPTSA-N 2 2 340.471 2.166 20 30 EEEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004567657 802385803 /nfs/dbraw/zinc/38/58/03/802385803.db2.gz KHJRKNIOACFTHA-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004567657 802385812 /nfs/dbraw/zinc/38/58/12/802385812.db2.gz KHJRKNIOACFTHA-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004567657 802385821 /nfs/dbraw/zinc/38/58/21/802385821.db2.gz KHJRKNIOACFTHA-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004567657 802385830 /nfs/dbraw/zinc/38/58/30/802385830.db2.gz KHJRKNIOACFTHA-MOPGFXCFSA-N 2 2 346.519 2.476 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001113037902 807914418 /nfs/dbraw/zinc/91/44/18/807914418.db2.gz VHTZCXXGNMRNRV-ZBFHGGJFSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001113037902 807914422 /nfs/dbraw/zinc/91/44/22/807914422.db2.gz VHTZCXXGNMRNRV-ZBFHGGJFSA-N 2 2 330.476 2.322 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1F ZINC001130266278 811379770 /nfs/dbraw/zinc/37/97/70/811379770.db2.gz RPKFKRXBBQFMQY-UHFFFAOYSA-N 2 2 337.358 2.093 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001444828141 1099772966 /nfs/dbraw/zinc/77/29/66/1099772966.db2.gz JHYAKUIENJWKBI-HUUCEWRRSA-N 2 2 338.883 2.322 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001494847216 1104446923 /nfs/dbraw/zinc/44/69/23/1104446923.db2.gz MHYZJTNUJMVYQH-RTBURBONSA-N 2 2 342.487 2.177 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001494847216 1104446926 /nfs/dbraw/zinc/44/69/26/1104446926.db2.gz MHYZJTNUJMVYQH-RTBURBONSA-N 2 2 342.487 2.177 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001498763244 1108050755 /nfs/dbraw/zinc/05/07/55/1108050755.db2.gz ZOVKBSCXFGXDBR-HNNXBMFYSA-N 2 2 332.835 2.493 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000329260869 539770528 /nfs/dbraw/zinc/77/05/28/539770528.db2.gz CZLKRGRZGASYFU-PBHICJAKSA-N 2 2 345.491 2.442 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000329260869 539770530 /nfs/dbraw/zinc/77/05/30/539770530.db2.gz CZLKRGRZGASYFU-PBHICJAKSA-N 2 2 345.491 2.442 20 30 EEEDLP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCO)CC1 ZINC000427003923 241362903 /nfs/dbraw/zinc/36/29/03/241362903.db2.gz BSJIFJSURQFOPB-UHFFFAOYSA-N 2 2 340.389 2.445 20 30 EEEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000491729622 533164387 /nfs/dbraw/zinc/16/43/87/533164387.db2.gz IPJPYTKOIWXKKK-LJQANCHMSA-N 2 2 327.472 2.189 20 30 EEEDLP N#Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601363 164348471 /nfs/dbraw/zinc/34/84/71/164348471.db2.gz XEMMDEJXNOWPGN-ICSRJNTNSA-N 2 2 348.450 2.196 20 30 EEEDLP N#Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601363 164348472 /nfs/dbraw/zinc/34/84/72/164348472.db2.gz XEMMDEJXNOWPGN-ICSRJNTNSA-N 2 2 348.450 2.196 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC[C@@H]3CCCO3)CC2)cc1 ZINC000540593733 318076128 /nfs/dbraw/zinc/07/61/28/318076128.db2.gz OXLMAFYVVOFJDO-FQEVSTJZSA-N 2 2 343.471 2.308 20 30 EEEDLP [O-]C(=[NH+]C[C@H]1CCCn2cc[nH+]c21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328600221 465065085 /nfs/dbraw/zinc/06/50/85/465065085.db2.gz CVBPEEZUMGCXEC-CQSZACIVSA-N 2 2 328.420 2.277 20 30 EEEDLP Cc1noc(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000328599341 465065113 /nfs/dbraw/zinc/06/51/13/465065113.db2.gz BYTKKHDHOOKWIG-UHFFFAOYSA-N 2 2 335.452 2.176 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000329214436 465269454 /nfs/dbraw/zinc/26/94/54/465269454.db2.gz LDLGTSRYVUTHRZ-QSJFSLAZSA-N 2 2 335.496 2.346 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000329214436 465269457 /nfs/dbraw/zinc/26/94/57/465269457.db2.gz LDLGTSRYVUTHRZ-QSJFSLAZSA-N 2 2 335.496 2.346 20 30 EEEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477944 462652813 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ITHVEPVICVOKDF-WBVHZDCISA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486992 1245890724 /nfs/dbraw/zinc/89/07/24/1245890724.db2.gz ITHVEPVICVOKDF-WBVHZDCISA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)O2 ZINC001053646709 1246584252 /nfs/dbraw/zinc/58/42/52/1246584252.db2.gz CRPGBKVRVFWQEB-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)O2 ZINC001053646709 1246584260 /nfs/dbraw/zinc/58/42/60/1246584260.db2.gz CRPGBKVRVFWQEB-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054289432 1248019450 /nfs/dbraw/zinc/01/94/50/1248019450.db2.gz GJAPUNOQVAVOCL-PXNSSMCTSA-N 2 2 339.483 2.372 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054289432 1248019461 /nfs/dbraw/zinc/01/94/61/1248019461.db2.gz GJAPUNOQVAVOCL-PXNSSMCTSA-N 2 2 339.483 2.372 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001099316359 1258077605 /nfs/dbraw/zinc/07/76/05/1258077605.db2.gz WLQWXHHSNFBAJI-MGPQQGTHSA-N 2 2 344.381 2.389 20 30 EEEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001100861361 1259360649 /nfs/dbraw/zinc/36/06/49/1259360649.db2.gz ADIJVHUWWFIENS-UHFFFAOYSA-N 2 2 339.443 2.332 20 30 EEEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001187051340 1279366383 /nfs/dbraw/zinc/36/63/83/1279366383.db2.gz MZUJEBKOGJNMER-HZPDHXFCSA-N 2 2 339.443 2.426 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284354 1282978053 /nfs/dbraw/zinc/97/80/53/1282978053.db2.gz GQWKOKLSKLINQK-SFHVURJKSA-N 2 2 346.450 2.070 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284354 1282978055 /nfs/dbraw/zinc/97/80/55/1282978055.db2.gz GQWKOKLSKLINQK-SFHVURJKSA-N 2 2 346.450 2.070 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284354 1282978064 /nfs/dbraw/zinc/97/80/64/1282978064.db2.gz GQWKOKLSKLINQK-SFHVURJKSA-N 2 2 346.450 2.070 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284354 1282978067 /nfs/dbraw/zinc/97/80/67/1282978067.db2.gz GQWKOKLSKLINQK-SFHVURJKSA-N 2 2 346.450 2.070 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071822521 1294904333 /nfs/dbraw/zinc/90/43/33/1294904333.db2.gz YADOHUATIMMYTI-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071822521 1294904337 /nfs/dbraw/zinc/90/43/37/1294904337.db2.gz YADOHUATIMMYTI-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071822521 1294904341 /nfs/dbraw/zinc/90/43/41/1294904341.db2.gz YADOHUATIMMYTI-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071822521 1294904345 /nfs/dbraw/zinc/90/43/45/1294904345.db2.gz YADOHUATIMMYTI-GJZGRUSLSA-N 2 2 327.900 2.440 20 30 EEEDLP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC001072081741 1295205720 /nfs/dbraw/zinc/20/57/20/1295205720.db2.gz RIXKDGLCCNJBNF-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC001072081741 1295205729 /nfs/dbraw/zinc/20/57/29/1295205729.db2.gz RIXKDGLCCNJBNF-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001102466426 1301110771 /nfs/dbraw/zinc/11/07/71/1301110771.db2.gz NQIKEQLUNMSUJZ-HZPDHXFCSA-N 2 2 326.444 2.055 20 30 EEEDLP C=CC[N@H+]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001102466426 1301110773 /nfs/dbraw/zinc/11/07/73/1301110773.db2.gz NQIKEQLUNMSUJZ-HZPDHXFCSA-N 2 2 326.444 2.055 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001228066644 1302083647 /nfs/dbraw/zinc/08/36/47/1302083647.db2.gz XSVFKRXMMOARPV-HNNXBMFYSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001228066644 1302083648 /nfs/dbraw/zinc/08/36/48/1302083648.db2.gz XSVFKRXMMOARPV-HNNXBMFYSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162641 1302359146 /nfs/dbraw/zinc/35/91/46/1302359146.db2.gz DUYZAKZMILVLGH-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162641 1302359156 /nfs/dbraw/zinc/35/91/56/1302359156.db2.gz DUYZAKZMILVLGH-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246309712 1310278529 /nfs/dbraw/zinc/27/85/29/1310278529.db2.gz WMAVKWWIFLPLTR-GBESFXJTSA-N 3 2 345.487 2.296 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246309712 1310278533 /nfs/dbraw/zinc/27/85/33/1310278533.db2.gz WMAVKWWIFLPLTR-GBESFXJTSA-N 2 2 345.487 2.296 20 30 EEEDLP CC(C)C#CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166333 1314577931 /nfs/dbraw/zinc/57/79/31/1314577931.db2.gz UBANLFZVFCHDJM-RTBURBONSA-N 2 2 333.520 2.441 20 30 EEEDLP CC(C)C#CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166333 1314577936 /nfs/dbraw/zinc/57/79/36/1314577936.db2.gz UBANLFZVFCHDJM-RTBURBONSA-N 2 2 333.520 2.441 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(N)cccc2F)CC1 ZINC001140876598 1314979400 /nfs/dbraw/zinc/97/94/00/1314979400.db2.gz HFQPQECLWYIXFG-UHFFFAOYSA-N 2 2 332.467 2.200 20 30 EEEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149868133 1316072140 /nfs/dbraw/zinc/07/21/40/1316072140.db2.gz DCGAOCLBMKMJLX-ZWKOTPCHSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149868133 1316072142 /nfs/dbraw/zinc/07/21/42/1316072142.db2.gz DCGAOCLBMKMJLX-ZWKOTPCHSA-N 2 2 348.491 2.254 20 30 EEEDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001253212189 1317800578 /nfs/dbraw/zinc/80/05/78/1317800578.db2.gz FOZHLTKOIVHWOJ-CQSZACIVSA-N 2 2 329.366 2.369 20 30 EEEDLP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125533 1320075838 /nfs/dbraw/zinc/07/58/38/1320075838.db2.gz KLCYYWIJENMVMT-UHFFFAOYSA-N 2 2 336.439 2.418 20 30 EEEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125533 1320075843 /nfs/dbraw/zinc/07/58/43/1320075843.db2.gz KLCYYWIJENMVMT-UHFFFAOYSA-N 2 2 336.439 2.418 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208450286 1324503070 /nfs/dbraw/zinc/50/30/70/1324503070.db2.gz COXRPQGYAKFTQJ-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208450286 1324503074 /nfs/dbraw/zinc/50/30/74/1324503074.db2.gz COXRPQGYAKFTQJ-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738173 1324646164 /nfs/dbraw/zinc/64/61/64/1324646164.db2.gz KNPHXGCIJJZSLD-ZWKOTPCHSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738173 1324646171 /nfs/dbraw/zinc/64/61/71/1324646171.db2.gz KNPHXGCIJJZSLD-ZWKOTPCHSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCc1cccc(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)c1O ZINC001276684775 1325297359 /nfs/dbraw/zinc/29/73/59/1325297359.db2.gz MBEUZUKSTCHKFM-UHFFFAOYSA-N 2 2 338.455 2.135 20 30 EEEDLP C=CCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273499876 1368149119 /nfs/dbraw/zinc/14/91/19/1368149119.db2.gz FSAGOVHMKYGEQK-QGZVFWFLSA-N 2 2 330.476 2.495 20 30 EEEDLP C#CC[NH2+]CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001342279901 1372942824 /nfs/dbraw/zinc/94/28/24/1372942824.db2.gz HHVVMLDNJMNUSG-UHFFFAOYSA-N 2 2 345.446 2.123 20 30 EEEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccccc1C#N ZINC001377189214 1379027314 /nfs/dbraw/zinc/02/73/14/1379027314.db2.gz ISPCMMAGNRLOHI-LJQANCHMSA-N 2 2 342.487 2.227 20 30 EEEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccccc1C#N ZINC001377189214 1379027318 /nfs/dbraw/zinc/02/73/18/1379027318.db2.gz ISPCMMAGNRLOHI-LJQANCHMSA-N 2 2 342.487 2.227 20 30 EEEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001377189214 1379027322 /nfs/dbraw/zinc/02/73/22/1379027322.db2.gz ISPCMMAGNRLOHI-LJQANCHMSA-N 2 2 342.487 2.227 20 30 EEEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001377189214 1379027328 /nfs/dbraw/zinc/02/73/28/1379027328.db2.gz ISPCMMAGNRLOHI-LJQANCHMSA-N 2 2 342.487 2.227 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001393880230 1390572997 /nfs/dbraw/zinc/57/29/97/1390572997.db2.gz BDEBFJHLTXIRMA-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001393880230 1390573000 /nfs/dbraw/zinc/57/30/00/1390573000.db2.gz BDEBFJHLTXIRMA-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001393880230 1390573003 /nfs/dbraw/zinc/57/30/03/1390573003.db2.gz BDEBFJHLTXIRMA-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001393880230 1390573004 /nfs/dbraw/zinc/57/30/04/1390573004.db2.gz BDEBFJHLTXIRMA-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001398203863 1391825613 /nfs/dbraw/zinc/82/56/13/1391825613.db2.gz FNNAQDHKWCDBQC-HUUCEWRRSA-N 2 2 338.883 2.464 20 30 EEEDLP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001755357558 1407356000 /nfs/dbraw/zinc/35/60/00/1407356000.db2.gz GKJJBHQPWUGXOP-CRAIPNDOSA-N 2 2 345.491 2.078 20 30 EEEDLP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001755357558 1407356006 /nfs/dbraw/zinc/35/60/06/1407356006.db2.gz GKJJBHQPWUGXOP-CRAIPNDOSA-N 2 2 345.491 2.078 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001755770543 1407831392 /nfs/dbraw/zinc/83/13/92/1407831392.db2.gz VNGVYAYACNRHAH-NEPJUHHUSA-N 2 2 344.381 2.100 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026210 782341551 /nfs/dbraw/zinc/34/15/51/782341551.db2.gz LFARQYZADMOMBO-XSWJXKHESA-N 2 2 331.460 2.254 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503216 759616089 /nfs/dbraw/zinc/61/60/89/759616089.db2.gz FCWDJCACYTYUEB-HKUYNNGSSA-N 2 2 330.476 2.458 20 30 EEEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001211619974 761156233 /nfs/dbraw/zinc/15/62/33/761156233.db2.gz BDMYLXLJTLMINM-FTEYMNFISA-N 2 2 348.450 2.121 20 30 EEEDLP C#CCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179608806 774116125 /nfs/dbraw/zinc/11/61/25/774116125.db2.gz JDANAXUTWPDAAH-OALUTQOASA-N 2 2 348.535 2.378 20 30 EEEDLP C#CCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179608806 774116129 /nfs/dbraw/zinc/11/61/29/774116129.db2.gz JDANAXUTWPDAAH-OALUTQOASA-N 2 2 348.535 2.378 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC000980230222 774152456 /nfs/dbraw/zinc/15/24/56/774152456.db2.gz PWRXEMABRBSCGQ-IPMKNSEASA-N 2 2 348.450 2.336 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC000980230222 774152460 /nfs/dbraw/zinc/15/24/60/774152460.db2.gz PWRXEMABRBSCGQ-IPMKNSEASA-N 2 2 348.450 2.336 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279697 774594017 /nfs/dbraw/zinc/59/40/17/774594017.db2.gz SHPVEXGYAVKWCF-IAGOWNOFSA-N 2 2 342.443 2.038 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279697 774594022 /nfs/dbraw/zinc/59/40/22/774594022.db2.gz SHPVEXGYAVKWCF-IAGOWNOFSA-N 2 2 342.443 2.038 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000981554241 777639749 /nfs/dbraw/zinc/63/97/49/777639749.db2.gz RUKVQRZQADNLAT-KGLIPLIRSA-N 2 2 343.456 2.033 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC000981953302 778652454 /nfs/dbraw/zinc/65/24/54/778652454.db2.gz MANFOBSPZWUDPC-QGZVFWFLSA-N 2 2 340.471 2.077 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC000981953302 778652458 /nfs/dbraw/zinc/65/24/58/778652458.db2.gz MANFOBSPZWUDPC-QGZVFWFLSA-N 2 2 340.471 2.077 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981953302 778652459 /nfs/dbraw/zinc/65/24/59/778652459.db2.gz MANFOBSPZWUDPC-QGZVFWFLSA-N 2 2 340.471 2.077 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981953302 778652461 /nfs/dbraw/zinc/65/24/61/778652461.db2.gz MANFOBSPZWUDPC-QGZVFWFLSA-N 2 2 340.471 2.077 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141382 781282961 /nfs/dbraw/zinc/28/29/61/781282961.db2.gz YRLJOCUSMPUBQA-ZIAGYGMSSA-N 2 2 344.381 2.218 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087523131 781665855 /nfs/dbraw/zinc/66/58/55/781665855.db2.gz KZCGEJNFUUBENI-GVDBMIGSSA-N 2 2 346.500 2.183 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087523131 781665861 /nfs/dbraw/zinc/66/58/61/781665861.db2.gz KZCGEJNFUUBENI-GVDBMIGSSA-N 2 2 346.500 2.183 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087523131 781665864 /nfs/dbraw/zinc/66/58/64/781665864.db2.gz KZCGEJNFUUBENI-GVDBMIGSSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135579106 784031981 /nfs/dbraw/zinc/03/19/81/784031981.db2.gz ISEOLLRAFJYOGD-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170893580 785229086 /nfs/dbraw/zinc/22/90/86/785229086.db2.gz FDNFIVBETNXCHF-YOEHRIQHSA-N 2 2 333.480 2.241 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170893580 785229090 /nfs/dbraw/zinc/22/90/90/785229090.db2.gz FDNFIVBETNXCHF-YOEHRIQHSA-N 2 2 333.480 2.241 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995970882 785901622 /nfs/dbraw/zinc/90/16/22/785901622.db2.gz HRMUOUGYWXYDCW-DZGCQCFKSA-N 2 2 336.867 2.025 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448730 787263969 /nfs/dbraw/zinc/26/39/69/787263969.db2.gz QLXGLUSWHVFIEM-UYAOXDASSA-N 2 2 341.455 2.017 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448730 787263973 /nfs/dbraw/zinc/26/39/73/787263973.db2.gz QLXGLUSWHVFIEM-UYAOXDASSA-N 2 2 341.455 2.017 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859437 788824226 /nfs/dbraw/zinc/82/42/26/788824226.db2.gz VBZIVDRJPVFVBZ-IYBDPMFKSA-N 2 2 330.476 2.434 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859437 788824238 /nfs/dbraw/zinc/82/42/38/788824238.db2.gz VBZIVDRJPVFVBZ-IYBDPMFKSA-N 2 2 330.476 2.434 20 30 EEEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146561659 791343204 /nfs/dbraw/zinc/34/32/04/791343204.db2.gz JCJGOPOEIQXEDY-GJZGRUSLSA-N 2 2 333.501 2.002 20 30 EEEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146561659 791343214 /nfs/dbraw/zinc/34/32/14/791343214.db2.gz JCJGOPOEIQXEDY-GJZGRUSLSA-N 2 2 333.501 2.002 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001088957019 791733553 /nfs/dbraw/zinc/73/35/53/791733553.db2.gz FMGOHKRVCVNPHO-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001088957019 791733555 /nfs/dbraw/zinc/73/35/55/791733555.db2.gz FMGOHKRVCVNPHO-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992241176 793382733 /nfs/dbraw/zinc/38/27/33/793382733.db2.gz PCKNZHLPRDTXLM-RRIFGTCXSA-N 2 2 328.460 2.213 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992241176 793382740 /nfs/dbraw/zinc/38/27/40/793382740.db2.gz PCKNZHLPRDTXLM-RRIFGTCXSA-N 2 2 328.460 2.213 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000998805416 793404388 /nfs/dbraw/zinc/40/43/88/793404388.db2.gz MUIADMBORLHAJR-UHFFFAOYSA-N 2 2 336.867 2.093 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092621248 794190748 /nfs/dbraw/zinc/19/07/48/794190748.db2.gz XJMJWLKQSDGXQU-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092621248 794190755 /nfs/dbraw/zinc/19/07/55/794190755.db2.gz XJMJWLKQSDGXQU-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092621248 794190761 /nfs/dbraw/zinc/19/07/61/794190761.db2.gz XJMJWLKQSDGXQU-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(C)C[NH+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092621248 794190770 /nfs/dbraw/zinc/19/07/70/794190770.db2.gz XJMJWLKQSDGXQU-RKVPGOIHSA-N 2 2 345.491 2.050 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307219 795374576 /nfs/dbraw/zinc/37/45/76/795374576.db2.gz HDSNHCXYSFYYRD-IUODEOHRSA-N 2 2 338.883 2.363 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000994413743 797969553 /nfs/dbraw/zinc/96/95/53/797969553.db2.gz XLKRIGJVKQXSMO-ICSRJNTNSA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000994413743 797969556 /nfs/dbraw/zinc/96/95/56/797969556.db2.gz XLKRIGJVKQXSMO-ICSRJNTNSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178866476 799661816 /nfs/dbraw/zinc/66/18/16/799661816.db2.gz WDQZACRIKSDFHR-HNNXBMFYSA-N 2 2 338.883 2.464 20 30 EEEDLP C=C(Br)C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689395 800038403 /nfs/dbraw/zinc/03/84/03/800038403.db2.gz AOGGUJMSMOPUCC-UHFFFAOYSA-N 2 2 343.269 2.127 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001085345576 800385411 /nfs/dbraw/zinc/38/54/11/800385411.db2.gz FNINQHCCRYORCC-HZPDHXFCSA-N 2 2 343.456 2.103 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001181518180 800831539 /nfs/dbraw/zinc/83/15/39/800831539.db2.gz PVNZJEWAKKAFKJ-OXQOHEQNSA-N 2 2 344.503 2.412 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438606 803577238 /nfs/dbraw/zinc/57/72/38/803577238.db2.gz ZOEIRWQTKPDFFJ-PKOBYXMFSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438606 803577244 /nfs/dbraw/zinc/57/72/44/803577244.db2.gz ZOEIRWQTKPDFFJ-PKOBYXMFSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109473121 805525429 /nfs/dbraw/zinc/52/54/29/805525429.db2.gz WXUKTLADCVGNHH-DEICHXMPSA-N 2 2 346.475 2.426 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109473121 805525435 /nfs/dbraw/zinc/52/54/35/805525435.db2.gz WXUKTLADCVGNHH-DEICHXMPSA-N 2 2 346.475 2.426 20 30 EEEDLP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001438797658 1091403179 /nfs/dbraw/zinc/40/31/79/1091403179.db2.gz JCFIGYBQZZLGNQ-SFHVURJKSA-N 2 2 339.443 2.145 20 30 EEEDLP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001438797658 1091403199 /nfs/dbraw/zinc/40/31/99/1091403199.db2.gz JCFIGYBQZZLGNQ-SFHVURJKSA-N 2 2 339.443 2.145 20 30 EEEDLP N#Cc1ccccc1C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001444521069 1099270566 /nfs/dbraw/zinc/27/05/66/1099270566.db2.gz MMMHWESLEHKPFI-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329001871 539765565 /nfs/dbraw/zinc/76/55/65/539765565.db2.gz WCDGVMWWWDYREA-OAHLLOKOSA-N 2 2 332.448 2.047 20 30 EEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332376423 270018874 /nfs/dbraw/zinc/01/88/74/270018874.db2.gz DNIMNKJLGYLUNB-HNNXBMFYSA-N 2 2 336.443 2.297 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977427 464342964 /nfs/dbraw/zinc/34/29/64/464342964.db2.gz BLVSUVFHQPGEPR-HKUYNNGSSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977427 464342965 /nfs/dbraw/zinc/34/29/65/464342965.db2.gz BLVSUVFHQPGEPR-HKUYNNGSSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977427 464342972 /nfs/dbraw/zinc/34/29/72/464342972.db2.gz BLVSUVFHQPGEPR-HKUYNNGSSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977427 464342974 /nfs/dbraw/zinc/34/29/74/464342974.db2.gz BLVSUVFHQPGEPR-HKUYNNGSSA-N 2 2 342.487 2.201 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534864210 468279361 /nfs/dbraw/zinc/27/93/61/468279361.db2.gz ZHESWXTXPVZVHJ-GOSISDBHSA-N 2 2 329.448 2.012 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1(C#N)CCCCC1 ZINC000075835695 462762744 /nfs/dbraw/zinc/76/27/44/462762744.db2.gz HQKVUCFGAWXXSW-GOSISDBHSA-N 2 2 346.519 2.479 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1(C#N)CCCCC1 ZINC000075835695 462762748 /nfs/dbraw/zinc/76/27/48/462762748.db2.gz HQKVUCFGAWXXSW-GOSISDBHSA-N 2 2 346.519 2.479 20 30 EEEDLP C=CCc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc(OC)c1O ZINC000076897952 462919648 /nfs/dbraw/zinc/91/96/48/462919648.db2.gz VPANJTYSNZHLRO-HNNXBMFYSA-N 2 2 334.460 2.330 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120217265 462974333 /nfs/dbraw/zinc/97/43/33/462974333.db2.gz AZJAZTRGFVCRGD-RTBURBONSA-N 2 2 348.535 2.438 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120217265 462974337 /nfs/dbraw/zinc/97/43/37/462974337.db2.gz AZJAZTRGFVCRGD-RTBURBONSA-N 2 2 348.535 2.438 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)cc1 ZINC000109793799 463649620 /nfs/dbraw/zinc/64/96/20/463649620.db2.gz JMRKGWWDJZXQGC-GOSISDBHSA-N 2 2 335.411 2.197 20 30 EEEDLP CC[NH+]=C(NCc1ccn(C)c1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261972152 463914907 /nfs/dbraw/zinc/91/49/07/463914907.db2.gz NBSFEBBESUNVFW-WBVHZDCISA-N 2 2 328.464 2.270 20 30 EEEDLP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262007346 463923908 /nfs/dbraw/zinc/92/39/08/463923908.db2.gz VXIHWKDGJBJTKZ-GUYCJALGSA-N 2 2 344.463 2.189 20 30 EEEDLP C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000264485830 464345262 /nfs/dbraw/zinc/34/52/62/464345262.db2.gz RHWNAEVEHDSNDV-PKOBYXMFSA-N 2 2 327.472 2.418 20 30 EEEDLP C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264485830 464345273 /nfs/dbraw/zinc/34/52/73/464345273.db2.gz RHWNAEVEHDSNDV-PKOBYXMFSA-N 2 2 327.472 2.418 20 30 EEEDLP CC(C)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181561524 464506062 /nfs/dbraw/zinc/50/60/62/464506062.db2.gz OTANUJFMPOCRRZ-HXUWFJFHSA-N 2 2 345.487 2.146 20 30 EEEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245795574 464515621 /nfs/dbraw/zinc/51/56/21/464515621.db2.gz WVPUIAUAXWQTNA-IBGZPJMESA-N 2 2 342.487 2.191 20 30 EEEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245795574 464515626 /nfs/dbraw/zinc/51/56/26/464515626.db2.gz WVPUIAUAXWQTNA-IBGZPJMESA-N 2 2 342.487 2.191 20 30 EEEDLP C=CCN1CC[C@@H]([N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000282029665 464674414 /nfs/dbraw/zinc/67/44/14/464674414.db2.gz PYXUFXJABNOCKD-GOSISDBHSA-N 2 2 342.487 2.407 20 30 EEEDLP C=CCN1CC[C@@H]([N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000282029665 464674416 /nfs/dbraw/zinc/67/44/16/464674416.db2.gz PYXUFXJABNOCKD-GOSISDBHSA-N 2 2 342.487 2.407 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000247963688 464718379 /nfs/dbraw/zinc/71/83/79/464718379.db2.gz GMOQQGIOGLQZTD-DLBZAZTESA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000247963688 464718387 /nfs/dbraw/zinc/71/83/87/464718387.db2.gz GMOQQGIOGLQZTD-DLBZAZTESA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1(C#N)CCCCC1 ZINC000247963688 464718394 /nfs/dbraw/zinc/71/83/94/464718394.db2.gz GMOQQGIOGLQZTD-DLBZAZTESA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1(C#N)CCCCC1 ZINC000247963688 464718401 /nfs/dbraw/zinc/71/84/01/464718401.db2.gz GMOQQGIOGLQZTD-DLBZAZTESA-N 2 2 332.492 2.087 20 30 EEEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000329880414 465461321 /nfs/dbraw/zinc/46/13/21/465461321.db2.gz NMVUDDMYYWSYIT-GASCZTMLSA-N 2 2 332.448 2.248 20 30 EEEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000329880414 465461327 /nfs/dbraw/zinc/46/13/27/465461327.db2.gz NMVUDDMYYWSYIT-GASCZTMLSA-N 2 2 332.448 2.248 20 30 EEEDLP CC#CC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000339748327 465486405 /nfs/dbraw/zinc/48/64/05/465486405.db2.gz CKTBWRGTXRSVIV-UHFFFAOYSA-N 2 2 327.472 2.031 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000330137547 465544629 /nfs/dbraw/zinc/54/46/29/465544629.db2.gz UYQGIOBKOUBJIM-GDBMZVCRSA-N 2 2 331.464 2.050 20 30 EEEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000330137547 465544636 /nfs/dbraw/zinc/54/46/36/465544636.db2.gz UYQGIOBKOUBJIM-GDBMZVCRSA-N 2 2 331.464 2.050 20 30 EEEDLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cn2)CC1 ZINC000330204313 465567311 /nfs/dbraw/zinc/56/73/11/465567311.db2.gz CQJAVSKLTOXFJX-MRXNPFEDSA-N 2 2 329.448 2.048 20 30 EEEDLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cn2)CC1 ZINC000330204313 465567322 /nfs/dbraw/zinc/56/73/22/465567322.db2.gz CQJAVSKLTOXFJX-MRXNPFEDSA-N 2 2 329.448 2.048 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330237130 465580286 /nfs/dbraw/zinc/58/02/86/465580286.db2.gz AMJCGEDYUOAROA-ARFHVFGLSA-N 2 2 345.491 2.355 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000330237130 465580294 /nfs/dbraw/zinc/58/02/94/465580294.db2.gz AMJCGEDYUOAROA-ARFHVFGLSA-N 2 2 345.491 2.355 20 30 EEEDLP C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330237130 465580298 /nfs/dbraw/zinc/58/02/98/465580298.db2.gz AMJCGEDYUOAROA-ARFHVFGLSA-N 2 2 345.491 2.355 20 30 EEEDLP C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000330237130 465580305 /nfs/dbraw/zinc/58/03/05/465580305.db2.gz AMJCGEDYUOAROA-ARFHVFGLSA-N 2 2 345.491 2.355 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367415471 466323143 /nfs/dbraw/zinc/32/31/43/466323143.db2.gz NQIMIUONFTVIMR-UHFFFAOYSA-N 2 2 331.464 2.059 20 30 EEEDLP C=CCc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(OC)c1O ZINC000657751519 471226634 /nfs/dbraw/zinc/22/66/34/471226634.db2.gz ROPJDAPREDHXQE-GOSISDBHSA-N 2 2 346.471 2.472 20 30 EEEDLP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149834 466777888 /nfs/dbraw/zinc/77/78/88/466777888.db2.gz PXQKWTZWJCSUDP-XLIONFOSSA-N 2 2 329.463 2.135 20 30 EEEDLP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149834 466777894 /nfs/dbraw/zinc/77/78/94/466777894.db2.gz PXQKWTZWJCSUDP-XLIONFOSSA-N 2 2 329.463 2.135 20 30 EEEDLP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C#N)c[nH+]1 ZINC000425241984 467089815 /nfs/dbraw/zinc/08/98/15/467089815.db2.gz BIJCCAAVWFUHDZ-LJQANCHMSA-N 2 2 336.439 2.252 20 30 EEEDLP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C#N)c[nH+]1 ZINC000425241984 467089818 /nfs/dbraw/zinc/08/98/18/467089818.db2.gz BIJCCAAVWFUHDZ-LJQANCHMSA-N 2 2 336.439 2.252 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C#N)CCCC3)CC2)CC1 ZINC000519380711 468156855 /nfs/dbraw/zinc/15/68/55/468156855.db2.gz VZVCGVLTMOCDAN-UHFFFAOYSA-N 2 2 332.492 2.089 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C#N)CCCC3)CC2)CC1 ZINC000519380711 468156857 /nfs/dbraw/zinc/15/68/57/468156857.db2.gz VZVCGVLTMOCDAN-UHFFFAOYSA-N 2 2 332.492 2.089 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127364 468235418 /nfs/dbraw/zinc/23/54/18/468235418.db2.gz DOWZZGLWWQKCAA-DNVCBOLYSA-N 2 2 343.475 2.401 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3CC#N)CC2)CC1 ZINC000601024733 468722479 /nfs/dbraw/zinc/72/24/79/468722479.db2.gz ZOZZLDFHHQVFII-UHFFFAOYSA-N 2 2 340.471 2.041 20 30 EEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000598727588 468976136 /nfs/dbraw/zinc/97/61/36/468976136.db2.gz XXKGVIPIVDFWNO-QGZVFWFLSA-N 2 2 337.508 2.159 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000602636051 468981391 /nfs/dbraw/zinc/98/13/91/468981391.db2.gz HVDQKCZHABGUIO-HXUWFJFHSA-N 2 2 336.439 2.334 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000602636051 468981397 /nfs/dbraw/zinc/98/13/97/468981397.db2.gz HVDQKCZHABGUIO-HXUWFJFHSA-N 2 2 336.439 2.334 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(=O)[nH]n1 ZINC000593719881 469107038 /nfs/dbraw/zinc/10/70/38/469107038.db2.gz DFTDQIGMPCTPFG-AWEZNQCLSA-N 2 2 337.427 2.369 20 30 EEEDLP C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000602870618 469131233 /nfs/dbraw/zinc/13/12/33/469131233.db2.gz UWYUKKSAWQHBAX-HOTGVXAUSA-N 2 2 328.460 2.047 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000171870895 526431122 /nfs/dbraw/zinc/43/11/22/526431122.db2.gz ICFVFXNJAMOKLS-UHFFFAOYSA-N 2 2 345.491 2.262 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159288909 527020446 /nfs/dbraw/zinc/02/04/46/527020446.db2.gz IQSLBKTXUHBIHX-MISYRCLQSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159288909 527020453 /nfs/dbraw/zinc/02/04/53/527020453.db2.gz IQSLBKTXUHBIHX-MISYRCLQSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159288909 527020457 /nfs/dbraw/zinc/02/04/57/527020457.db2.gz IQSLBKTXUHBIHX-MISYRCLQSA-N 2 2 339.483 2.111 20 30 EEEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159288909 527020463 /nfs/dbraw/zinc/02/04/63/527020463.db2.gz IQSLBKTXUHBIHX-MISYRCLQSA-N 2 2 339.483 2.111 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000730124566 576717852 /nfs/dbraw/zinc/71/78/52/576717852.db2.gz BUWZCKDDIRRPCU-UHFFFAOYSA-N 2 2 332.448 2.157 20 30 EEEDLP C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000734281452 577286943 /nfs/dbraw/zinc/28/69/43/577286943.db2.gz KQYXHBZODYLIET-KRWDZBQOSA-N 2 2 346.519 2.132 20 30 EEEDLP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000734281452 577286944 /nfs/dbraw/zinc/28/69/44/577286944.db2.gz KQYXHBZODYLIET-KRWDZBQOSA-N 2 2 346.519 2.132 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2oc3ccccc3c2C)CC1 ZINC000754633118 577809809 /nfs/dbraw/zinc/80/98/09/577809809.db2.gz RCXAGSNZIVBPJM-MRXNPFEDSA-N 2 2 339.439 2.169 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccc(Cl)cc3)cn2)CC1 ZINC000755775297 577830904 /nfs/dbraw/zinc/83/09/04/577830904.db2.gz PNABEFZCSCRGJZ-UHFFFAOYSA-N 2 2 344.850 2.006 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000823919798 609140608 /nfs/dbraw/zinc/14/06/08/609140608.db2.gz RGBIFQDJAJSYEY-LBPRGKRZSA-N 2 2 330.411 2.307 20 30 EEEDLP CSc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+](C)C)cc1 ZINC000263214326 679567071 /nfs/dbraw/zinc/56/70/71/679567071.db2.gz ZPUGYGWSFUAROV-OAHLLOKOSA-N 2 2 338.546 2.375 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001024366922 679883877 /nfs/dbraw/zinc/88/38/77/679883877.db2.gz WFHMBYHSQQNZAM-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001024366922 679883878 /nfs/dbraw/zinc/88/38/78/679883878.db2.gz WFHMBYHSQQNZAM-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024366922 679883879 /nfs/dbraw/zinc/88/38/79/679883879.db2.gz WFHMBYHSQQNZAM-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024366922 679883880 /nfs/dbraw/zinc/88/38/80/679883880.db2.gz WFHMBYHSQQNZAM-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747279 685372325 /nfs/dbraw/zinc/37/23/25/685372325.db2.gz BSGSUVMTLARTSI-RHSMWYFYSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974747279 685372330 /nfs/dbraw/zinc/37/23/30/685372330.db2.gz BSGSUVMTLARTSI-RHSMWYFYSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747279 685372336 /nfs/dbraw/zinc/37/23/36/685372336.db2.gz BSGSUVMTLARTSI-RHSMWYFYSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974747279 685372341 /nfs/dbraw/zinc/37/23/41/685372341.db2.gz BSGSUVMTLARTSI-RHSMWYFYSA-N 2 2 330.476 2.226 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251217 682330337 /nfs/dbraw/zinc/33/03/37/682330337.db2.gz HXXNHAYLNNAQJL-ZWKOTPCHSA-N 2 2 342.487 2.222 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251217 682330344 /nfs/dbraw/zinc/33/03/44/682330344.db2.gz HXXNHAYLNNAQJL-ZWKOTPCHSA-N 2 2 342.487 2.222 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)[NH+](C)C ZINC001029357656 684086809 /nfs/dbraw/zinc/08/68/09/684086809.db2.gz OPLZOEZXIBWTMZ-JKIFEVAISA-N 2 2 346.500 2.135 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)[NH+](C)C ZINC001029357656 684086813 /nfs/dbraw/zinc/08/68/13/684086813.db2.gz OPLZOEZXIBWTMZ-JKIFEVAISA-N 2 2 346.500 2.135 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038369690 684621974 /nfs/dbraw/zinc/62/19/74/684621974.db2.gz WVFIKUKSAPPCMZ-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038369690 684621975 /nfs/dbraw/zinc/62/19/75/684621975.db2.gz WVFIKUKSAPPCMZ-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038369690 684621977 /nfs/dbraw/zinc/62/19/77/684621977.db2.gz WVFIKUKSAPPCMZ-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038369690 684621978 /nfs/dbraw/zinc/62/19/78/684621978.db2.gz WVFIKUKSAPPCMZ-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877042 1192646936 /nfs/dbraw/zinc/64/69/36/1192646936.db2.gz LFJJQIYQZGEOJG-VQIMIIECSA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877042 1192646937 /nfs/dbraw/zinc/64/69/37/1192646937.db2.gz LFJJQIYQZGEOJG-VQIMIIECSA-N 2 2 336.439 2.336 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089885781 1192685906 /nfs/dbraw/zinc/68/59/06/1192685906.db2.gz AGKPSAXQDBQUFA-YVSFHVDLSA-N 2 2 342.487 2.432 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089885781 1192685909 /nfs/dbraw/zinc/68/59/09/1192685909.db2.gz AGKPSAXQDBQUFA-YVSFHVDLSA-N 2 2 342.487 2.432 20 30 EEEDLP C[N@H+](CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001481645060 1182055385 /nfs/dbraw/zinc/05/53/85/1182055385.db2.gz XECUYUJJGASSNN-UHFFFAOYSA-N 2 2 342.487 2.084 20 30 EEEDLP C[N@@H+](CC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001481645060 1182055391 /nfs/dbraw/zinc/05/53/91/1182055391.db2.gz XECUYUJJGASSNN-UHFFFAOYSA-N 2 2 342.487 2.084 20 30 EEEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)CCC1 ZINC001105577768 1188191767 /nfs/dbraw/zinc/19/17/67/1188191767.db2.gz ZSELWDWAFNSKSN-SFHVURJKSA-N 2 2 342.487 2.127 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876436 1195414420 /nfs/dbraw/zinc/41/44/20/1195414420.db2.gz BMQHGTZZRGSCHH-AEFFLSMTSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876436 1195414421 /nfs/dbraw/zinc/41/44/21/1195414421.db2.gz BMQHGTZZRGSCHH-AEFFLSMTSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274174 1196028939 /nfs/dbraw/zinc/02/89/39/1196028939.db2.gz KQVBOMXDCQYNFL-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274174 1196028942 /nfs/dbraw/zinc/02/89/42/1196028942.db2.gz KQVBOMXDCQYNFL-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001034674234 1196503702 /nfs/dbraw/zinc/50/37/02/1196503702.db2.gz KKSUGIFKTLGJIJ-KKUMJFAQSA-N 2 2 336.867 2.215 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234470 1199413506 /nfs/dbraw/zinc/41/35/06/1199413506.db2.gz HEYCCDLBWPRBOG-HUUCEWRRSA-N 2 2 339.443 2.287 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1C#N ZINC001134546264 1199648069 /nfs/dbraw/zinc/64/80/69/1199648069.db2.gz YJTPTPIDNBESSS-CABCVRRESA-N 2 2 339.443 2.287 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1C#N ZINC001134546264 1199648071 /nfs/dbraw/zinc/64/80/71/1199648071.db2.gz YJTPTPIDNBESSS-CABCVRRESA-N 2 2 339.443 2.287 20 30 EEEDLP C#CCN1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000886209822 1202480725 /nfs/dbraw/zinc/48/07/25/1202480725.db2.gz VXTOQCLAPGVUFS-IBGZPJMESA-N 2 2 340.515 2.409 20 30 EEEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001114635769 1213988879 /nfs/dbraw/zinc/98/88/79/1213988879.db2.gz OFBXYDXKFMPWOJ-BWTSREIZSA-N 2 2 336.439 2.499 20 30 EEEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001114635769 1213988888 /nfs/dbraw/zinc/98/88/88/1213988888.db2.gz OFBXYDXKFMPWOJ-BWTSREIZSA-N 2 2 336.439 2.499 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000960286816 1216473606 /nfs/dbraw/zinc/47/36/06/1216473606.db2.gz DAPUKUNFAZYCOJ-SJLPKXTDSA-N 2 2 344.846 2.316 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187562 1217077162 /nfs/dbraw/zinc/07/71/62/1217077162.db2.gz LXLFYWJREXONEM-HZPDHXFCSA-N 2 2 336.439 2.370 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187562 1217077164 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C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001082604814 797603842 /nfs/dbraw/zinc/60/38/42/797603842.db2.gz FHGSUPGFMMKWCC-AKWBHNSASA-N 2 2 336.867 2.012 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001177356689 798906930 /nfs/dbraw/zinc/90/69/30/798906930.db2.gz GJAYSRIAXUUIJP-GOSISDBHSA-N 2 2 342.487 2.077 20 30 EEEDLP COCC#CC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823002 799639219 /nfs/dbraw/zinc/63/92/19/799639219.db2.gz IJYBQFXGSASKHA-UHFFFAOYSA-N 2 2 342.443 2.093 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181947034 800970493 /nfs/dbraw/zinc/97/04/93/800970493.db2.gz JZQIBJAGBJMZAM-FUHIMQAGSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001004188106 801217184 /nfs/dbraw/zinc/21/71/84/801217184.db2.gz CABYZPCQFPUWMG-UHFFFAOYSA-N 2 2 333.501 2.263 20 30 EEEDLP C=CCC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001004188106 801217190 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336.480 2.061 20 30 EEEDLP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439221 803579384 /nfs/dbraw/zinc/57/93/84/803579384.db2.gz DSXVUJGIHLEUAW-SFHVURJKSA-N 2 2 336.480 2.061 20 30 EEEDLP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086595690 809097758 /nfs/dbraw/zinc/09/77/58/809097758.db2.gz OFFOBRMKYDOPBM-OTWHNJEPSA-N 2 2 327.472 2.241 20 30 EEEDLP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086595690 809097765 /nfs/dbraw/zinc/09/77/65/809097765.db2.gz OFFOBRMKYDOPBM-OTWHNJEPSA-N 2 2 327.472 2.241 20 30 EEEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595690 809097779 /nfs/dbraw/zinc/09/77/79/809097779.db2.gz OFFOBRMKYDOPBM-OTWHNJEPSA-N 2 2 327.472 2.241 20 30 EEEDLP C=C(Br)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001437043626 1088915091 /nfs/dbraw/zinc/91/50/91/1088915091.db2.gz YKLQMLNHXOYCBP-AWEZNQCLSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CC 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348.450 2.411 20 30 EEEDLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344331656 161217974 /nfs/dbraw/zinc/21/79/74/161217974.db2.gz PGVXQXCRIQZVKO-RBUKOAKNSA-N 2 2 340.471 2.027 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000272555475 267081216 /nfs/dbraw/zinc/08/12/16/267081216.db2.gz MRDJBEZPYJCVNP-HFTRVMKXSA-N 2 2 326.444 2.126 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000272555475 267081218 /nfs/dbraw/zinc/08/12/18/267081218.db2.gz MRDJBEZPYJCVNP-HFTRVMKXSA-N 2 2 326.444 2.126 20 30 EEEDLP Cc1nc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ccc1C#N ZINC000292090729 267610783 /nfs/dbraw/zinc/61/07/83/267610783.db2.gz YNOAZPILHLNTBE-UHFFFAOYSA-N 2 2 327.476 2.257 20 30 EEEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000572347903 319837219 /nfs/dbraw/zinc/83/72/19/319837219.db2.gz CFAVGQRLLVUCIC-CQSZACIVSA-N 2 2 326.444 2.492 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000577121388 320233656 /nfs/dbraw/zinc/23/36/56/320233656.db2.gz LONBHIYLZAMUFL-FUHWJXTLSA-N 2 2 349.438 2.277 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000577121388 320233658 /nfs/dbraw/zinc/23/36/58/320233658.db2.gz LONBHIYLZAMUFL-FUHWJXTLSA-N 2 2 349.438 2.277 20 30 EEEDLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329290178 465289885 /nfs/dbraw/zinc/28/98/85/465289885.db2.gz IIDNNJUQPHUVJP-GJZGRUSLSA-N 2 2 333.480 2.419 20 30 EEEDLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329290178 465289893 /nfs/dbraw/zinc/28/98/93/465289893.db2.gz IIDNNJUQPHUVJP-GJZGRUSLSA-N 2 2 333.480 2.419 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000579152797 468318542 /nfs/dbraw/zinc/31/85/42/468318542.db2.gz HEPCPEOMNCDMRB-MRXNPFEDSA-N 2 2 331.464 2.211 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120217121 462974014 /nfs/dbraw/zinc/97/40/14/462974014.db2.gz AZJAZTRGFVCRGD-RBUKOAKNSA-N 2 2 348.535 2.438 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120217121 462974020 /nfs/dbraw/zinc/97/40/20/462974020.db2.gz AZJAZTRGFVCRGD-RBUKOAKNSA-N 2 2 348.535 2.438 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120942649 463056725 /nfs/dbraw/zinc/05/67/25/463056725.db2.gz AJVNVRCEPWSVDJ-QGZVFWFLSA-N 2 2 329.444 2.111 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120942649 463056730 /nfs/dbraw/zinc/05/67/30/463056730.db2.gz AJVNVRCEPWSVDJ-QGZVFWFLSA-N 2 2 329.444 2.111 20 30 EEEDLP C[NH+](C)Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1F ZINC000135292300 463139343 /nfs/dbraw/zinc/13/93/43/463139343.db2.gz WGIHKWFMVZCCPO-SFHVURJKSA-N 2 2 340.402 2.075 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000071879886 463452682 /nfs/dbraw/zinc/45/26/82/463452682.db2.gz DFJOUQCDWJONBN-UHFFFAOYSA-N 2 2 331.464 2.059 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918455 464413261 /nfs/dbraw/zinc/41/32/61/464413261.db2.gz ZLAWUFUZUUMXDR-QAPCUYQASA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000271918455 464413267 /nfs/dbraw/zinc/41/32/67/464413267.db2.gz ZLAWUFUZUUMXDR-QAPCUYQASA-N 2 2 328.460 2.152 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000568960108 468411205 /nfs/dbraw/zinc/41/12/05/468411205.db2.gz CXZMOBCZYAGSRL-MOPGFXCFSA-N 2 2 348.406 2.212 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000568960108 468411208 /nfs/dbraw/zinc/41/12/08/468411208.db2.gz CXZMOBCZYAGSRL-MOPGFXCFSA-N 2 2 348.406 2.212 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272821496 464690914 /nfs/dbraw/zinc/69/09/14/464690914.db2.gz FXWHQGBEDUZDPW-FUHWJXTLSA-N 2 2 336.501 2.230 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272821496 464690919 /nfs/dbraw/zinc/69/09/19/464690919.db2.gz FXWHQGBEDUZDPW-FUHWJXTLSA-N 2 2 336.501 2.230 20 30 EEEDLP C[C@H]1C[NH+]=C(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)S1 ZINC000177212237 464958574 /nfs/dbraw/zinc/95/85/74/464958574.db2.gz CYSHCVVYWOQDLK-AWEZNQCLSA-N 2 2 330.457 2.046 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363152345 466250602 /nfs/dbraw/zinc/25/06/02/466250602.db2.gz UZARPMTWBVSIFQ-QFBILLFUSA-N 2 2 342.487 2.025 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363152345 466250606 /nfs/dbraw/zinc/25/06/06/466250606.db2.gz UZARPMTWBVSIFQ-QFBILLFUSA-N 2 2 342.487 2.025 20 30 EEEDLP COc1ccc([C@@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000591570958 468484740 /nfs/dbraw/zinc/48/47/40/468484740.db2.gz LECBNMRCGJCYOF-RBUKOAKNSA-N 2 2 328.460 2.066 20 30 EEEDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000365735225 466922187 /nfs/dbraw/zinc/92/21/87/466922187.db2.gz KJPKMILWGNSVOV-UXHICEINSA-N 2 2 342.487 2.005 20 30 EEEDLP C#CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377630366 467101243 /nfs/dbraw/zinc/10/12/43/467101243.db2.gz RFICATRWFACKSE-HXUWFJFHSA-N 2 2 341.499 2.299 20 30 EEEDLP C#CCOc1ccccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377630366 467101246 /nfs/dbraw/zinc/10/12/46/467101246.db2.gz RFICATRWFACKSE-HXUWFJFHSA-N 2 2 341.499 2.299 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483421460 468008113 /nfs/dbraw/zinc/00/81/13/468008113.db2.gz UDLKWPCAUKQEOQ-RTBURBONSA-N 2 2 348.535 2.378 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483421460 468008115 /nfs/dbraw/zinc/00/81/15/468008115.db2.gz UDLKWPCAUKQEOQ-RTBURBONSA-N 2 2 348.535 2.378 20 30 EEEDLP COC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOCC1 ZINC000593693179 469098858 /nfs/dbraw/zinc/09/88/58/469098858.db2.gz ROHVFYFZOWACMV-UHFFFAOYSA-N 2 2 343.471 2.308 20 30 EEEDLP C=C(C)[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)OCC ZINC000634195930 470230774 /nfs/dbraw/zinc/23/07/74/470230774.db2.gz JYDQLNHFLLGFPO-INIZCTEOSA-N 2 2 332.448 2.143 20 30 EEEDLP C=C(Br)CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160115548 526426064 /nfs/dbraw/zinc/42/60/64/526426064.db2.gz TURYGKODQPOMRE-AAEUAGOBSA-N 2 2 340.269 2.250 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000177820863 526428825 /nfs/dbraw/zinc/42/88/25/526428825.db2.gz LEHJKDJYYOWYKL-RDJZCZTQSA-N 2 2 331.464 2.126 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000774873794 577421430 /nfs/dbraw/zinc/42/14/30/577421430.db2.gz BZEJEUBRQNLAJR-KRWDZBQOSA-N 2 2 333.863 2.158 20 30 EEEDLP CC(C)[N@H+](C)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766638838 577522677 /nfs/dbraw/zinc/52/26/77/577522677.db2.gz ZTNGNYCZGRNGRL-UHFFFAOYSA-N 2 2 342.487 2.218 20 30 EEEDLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766638838 577522678 /nfs/dbraw/zinc/52/26/78/577522678.db2.gz ZTNGNYCZGRNGRL-UHFFFAOYSA-N 2 2 342.487 2.218 20 30 EEEDLP N#CCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532320 577945919 /nfs/dbraw/zinc/94/59/19/577945919.db2.gz WJJZNZRQWOZNFV-HXUWFJFHSA-N 2 2 340.471 2.004 20 30 EEEDLP N#CCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532320 577945920 /nfs/dbraw/zinc/94/59/20/577945920.db2.gz WJJZNZRQWOZNFV-HXUWFJFHSA-N 2 2 340.471 2.004 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747532320 577945921 /nfs/dbraw/zinc/94/59/21/577945921.db2.gz WJJZNZRQWOZNFV-HXUWFJFHSA-N 2 2 340.471 2.004 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747532320 577945922 /nfs/dbraw/zinc/94/59/22/577945922.db2.gz WJJZNZRQWOZNFV-HXUWFJFHSA-N 2 2 340.471 2.004 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2F)CC(C)C)CC1 ZINC000748816761 577967438 /nfs/dbraw/zinc/96/74/38/577967438.db2.gz WODPSFPOYBQCIU-UHFFFAOYSA-N 2 2 345.462 2.061 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2F)CC(C)C)CC1 ZINC000748816761 577967439 /nfs/dbraw/zinc/96/74/39/577967439.db2.gz WODPSFPOYBQCIU-UHFFFAOYSA-N 2 2 345.462 2.061 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(C)c(C)c2)C2CC2)CC1 ZINC000748821209 577967589 /nfs/dbraw/zinc/96/75/89/577967589.db2.gz LJJJNLIJLOWMPO-UHFFFAOYSA-N 2 2 339.483 2.045 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(C)c(C)c2)C2CC2)CC1 ZINC000748821209 577967590 /nfs/dbraw/zinc/96/75/90/577967590.db2.gz LJJJNLIJLOWMPO-UHFFFAOYSA-N 2 2 339.483 2.045 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000819722675 607480250 /nfs/dbraw/zinc/48/02/50/607480250.db2.gz NSOKVMFSRLLQHI-UHFFFAOYSA-N 2 2 330.411 2.136 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982735425 682120315 /nfs/dbraw/zinc/12/03/15/682120315.db2.gz HPBNDZNAIFRPEO-KDURUIRLSA-N 2 2 330.476 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EEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111961150 1371335372 /nfs/dbraw/zinc/33/53/72/1371335372.db2.gz KTMAYPUFNHPCJP-LPHOPBHVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001367155972 1374107542 /nfs/dbraw/zinc/10/75/42/1374107542.db2.gz GIXNLGCPRYQBTQ-CQSZACIVSA-N 2 2 336.867 2.217 20 30 EEEDLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)s1 ZINC001400116337 1395933822 /nfs/dbraw/zinc/93/38/22/1395933822.db2.gz SUJURIGDOHUVNL-GASCZTMLSA-N 2 2 346.500 2.137 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)s1 ZINC001400116337 1395933828 /nfs/dbraw/zinc/93/38/28/1395933828.db2.gz SUJURIGDOHUVNL-GASCZTMLSA-N 2 2 346.500 2.137 20 30 EEEDLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001400116337 1395933832 /nfs/dbraw/zinc/93/38/32/1395933832.db2.gz SUJURIGDOHUVNL-GASCZTMLSA-N 2 2 346.500 2.137 20 30 EEEDLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001400116337 1395933845 /nfs/dbraw/zinc/93/38/45/1395933845.db2.gz SUJURIGDOHUVNL-GASCZTMLSA-N 2 2 346.500 2.137 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001402240709 1397888618 /nfs/dbraw/zinc/88/86/18/1397888618.db2.gz QSAVMDMDEIOWID-OAHLLOKOSA-N 2 2 336.867 2.387 20 30 EEEDLP C#CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001574672971 1403525065 /nfs/dbraw/zinc/52/50/65/1403525065.db2.gz GSFFKTGZZHKBQJ-XLIONFOSSA-N 2 2 335.455 2.325 20 30 EEEDLP C#CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC001574672971 1403525067 /nfs/dbraw/zinc/52/50/67/1403525067.db2.gz GSFFKTGZZHKBQJ-XLIONFOSSA-N 2 2 335.455 2.325 20 30 EEEDLP CC#CC[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001755810492 1407864326 /nfs/dbraw/zinc/86/43/26/1407864326.db2.gz JDJWDVFBNFGBEF-UHFFFAOYSA-N 2 2 326.444 2.448 20 30 EEEDLP CC#CC[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001755810492 1407864327 /nfs/dbraw/zinc/86/43/27/1407864327.db2.gz JDJWDVFBNFGBEF-UHFFFAOYSA-N 2 2 326.444 2.448 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486287 757913383 /nfs/dbraw/zinc/91/33/83/757913383.db2.gz JUXABOVDVYPJKH-LPHOPBHVSA-N 2 2 330.476 2.147 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979989621 773669709 /nfs/dbraw/zinc/66/97/09/773669709.db2.gz QFUXCPRCHDPTNN-BZSNNMDCSA-N 2 2 342.487 2.167 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979989621 773669714 /nfs/dbraw/zinc/66/97/14/773669714.db2.gz QFUXCPRCHDPTNN-BZSNNMDCSA-N 2 2 342.487 2.167 20 30 EEEDLP O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001031850386 777384425 /nfs/dbraw/zinc/38/44/25/777384425.db2.gz XXPALEUUKYEZBN-UHFFFAOYSA-N 2 2 344.418 2.048 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982119820 779131394 /nfs/dbraw/zinc/13/13/94/779131394.db2.gz HNBBZURYAWQNMV-UHFFFAOYSA-N 2 2 348.878 2.438 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982119820 779131400 /nfs/dbraw/zinc/13/14/00/779131400.db2.gz HNBBZURYAWQNMV-UHFFFAOYSA-N 2 2 348.878 2.438 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798345 784461984 /nfs/dbraw/zinc/46/19/84/784461984.db2.gz FFQRVNYZTUMHDP-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001136031744 785012661 /nfs/dbraw/zinc/01/26/61/785012661.db2.gz PLZWPZMQNXRWBJ-RYUDHWBXSA-N 2 2 345.472 2.267 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001136032151 785015103 /nfs/dbraw/zinc/01/51/03/785015103.db2.gz WRMHNYUMACRWNQ-KGLIPLIRSA-N 2 2 339.443 2.205 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC001036208252 785995849 /nfs/dbraw/zinc/99/58/49/785995849.db2.gz PCYYVNIIDPTFAK-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449270 787264271 /nfs/dbraw/zinc/26/42/71/787264271.db2.gz CHRUKBBUMXXGBH-VQIMIIECSA-N 2 2 330.476 2.473 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449270 787264272 /nfs/dbraw/zinc/26/42/72/787264272.db2.gz CHRUKBBUMXXGBH-VQIMIIECSA-N 2 2 330.476 2.473 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001005869546 788603747 /nfs/dbraw/zinc/60/37/47/788603747.db2.gz MLDAUGZVDBSNFB-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001005869546 788603753 /nfs/dbraw/zinc/60/37/53/788603753.db2.gz MLDAUGZVDBSNFB-LJQANCHMSA-N 2 2 349.519 2.129 20 30 EEEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997182473 789359915 /nfs/dbraw/zinc/35/99/15/789359915.db2.gz DWEICKTWCVUIKV-PBHICJAKSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997182473 789359925 /nfs/dbraw/zinc/35/99/25/789359925.db2.gz DWEICKTWCVUIKV-PBHICJAKSA-N 2 2 342.487 2.063 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998308157 792538901 /nfs/dbraw/zinc/53/89/01/792538901.db2.gz YIYMRLNTLQLTTF-JSGCOSHPSA-N 2 2 344.381 2.206 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC000992689396 795112738 /nfs/dbraw/zinc/11/27/38/795112738.db2.gz IMASYMBGJLTOKQ-RYQLBKOJSA-N 2 2 342.487 2.165 20 30 EEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001171922970 796810708 /nfs/dbraw/zinc/81/07/08/796810708.db2.gz CLIIUOSJPDAQTJ-ZWKOTPCHSA-N 2 2 339.524 2.328 20 30 EEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001171922970 796810711 /nfs/dbraw/zinc/81/07/11/796810711.db2.gz CLIIUOSJPDAQTJ-ZWKOTPCHSA-N 2 2 339.524 2.328 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993826448 797057242 /nfs/dbraw/zinc/05/72/42/797057242.db2.gz QCQAFYWIWKHAET-ZBFHGGJFSA-N 2 2 332.448 2.039 20 30 EEEDLP N#CCC1CCC([N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)CC1 ZINC001173332716 797363198 /nfs/dbraw/zinc/36/31/98/797363198.db2.gz DUSZCKQUAMZRQB-UHFFFAOYSA-N 2 2 338.459 2.458 20 30 EEEDLP N#CCC1CCC([N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)CC1 ZINC001173332716 797363207 /nfs/dbraw/zinc/36/32/07/797363207.db2.gz DUSZCKQUAMZRQB-UHFFFAOYSA-N 2 2 338.459 2.458 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085603040 800877143 /nfs/dbraw/zinc/87/71/43/800877143.db2.gz RRVJKMUMKMGYAG-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085603040 800877149 /nfs/dbraw/zinc/87/71/49/800877149.db2.gz RRVJKMUMKMGYAG-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001183528124 801626243 /nfs/dbraw/zinc/62/62/43/801626243.db2.gz ICBYCNYGOLWCTP-IMFGXOCKSA-N 2 2 344.503 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473744 802164451 /nfs/dbraw/zinc/16/44/51/802164451.db2.gz LHEKSRGDYQFJOM-ZWKOTPCHSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473744 802164455 /nfs/dbraw/zinc/16/44/55/802164455.db2.gz LHEKSRGDYQFJOM-ZWKOTPCHSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184850601 802198905 /nfs/dbraw/zinc/19/89/05/802198905.db2.gz DVOPJLPVQCQOMO-SJORKVTESA-N 2 2 332.492 2.393 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529214 802323602 /nfs/dbraw/zinc/32/36/02/802323602.db2.gz RCIJMZOYIONMFK-RTBURBONSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004529214 802323610 /nfs/dbraw/zinc/32/36/10/802323610.db2.gz RCIJMZOYIONMFK-RTBURBONSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004529214 802323619 /nfs/dbraw/zinc/32/36/19/802323619.db2.gz RCIJMZOYIONMFK-RTBURBONSA-N 2 2 346.519 2.335 20 30 EEEDLP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004529214 802323626 /nfs/dbraw/zinc/32/36/26/802323626.db2.gz RCIJMZOYIONMFK-RTBURBONSA-N 2 2 346.519 2.335 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644987 802576821 /nfs/dbraw/zinc/57/68/21/802576821.db2.gz LURSPZHCPQDEBB-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644987 802576823 /nfs/dbraw/zinc/57/68/23/802576823.db2.gz LURSPZHCPQDEBB-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC1 ZINC000804450143 810875551 /nfs/dbraw/zinc/87/55/51/810875551.db2.gz HOFSNDPNWAUIBY-JTQLQIEISA-N 2 2 325.869 2.249 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC1 ZINC000804450143 810875559 /nfs/dbraw/zinc/87/55/59/810875559.db2.gz HOFSNDPNWAUIBY-JTQLQIEISA-N 2 2 325.869 2.249 20 30 EEEDLP CC(C)C[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001130001671 811070065 /nfs/dbraw/zinc/07/00/65/811070065.db2.gz WHEBFWWEKFCDLR-SFHVURJKSA-N 2 2 339.443 2.248 20 30 EEEDLP CC(C)c1nn(C)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000328967684 539764620 /nfs/dbraw/zinc/76/46/20/539764620.db2.gz ACQKFZYDLAOTIA-UHFFFAOYSA-N 2 2 347.507 2.407 20 30 EEEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368660146 166099846 /nfs/dbraw/zinc/09/98/46/166099846.db2.gz BNVGKGJWRFBHMV-GOSISDBHSA-N 2 2 341.459 2.190 20 30 EEEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368660146 166099848 /nfs/dbraw/zinc/09/98/48/166099848.db2.gz BNVGKGJWRFBHMV-GOSISDBHSA-N 2 2 341.459 2.190 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C#N)cs3)CC2)CC1 ZINC000564817948 319113591 /nfs/dbraw/zinc/11/35/91/319113591.db2.gz NLBAROWDZLXRFX-UHFFFAOYSA-N 2 2 346.500 2.252 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C#N)cs3)CC2)CC1 ZINC000564817948 319113592 /nfs/dbraw/zinc/11/35/92/319113592.db2.gz NLBAROWDZLXRFX-UHFFFAOYSA-N 2 2 346.500 2.252 20 30 EEEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328784015 465127798 /nfs/dbraw/zinc/12/77/98/465127798.db2.gz GQSIHDHPZZBRFZ-QAPCUYQASA-N 2 2 347.507 2.405 20 30 EEEDLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000045877259 462627349 /nfs/dbraw/zinc/62/73/49/462627349.db2.gz OMGLXTDKDZANSJ-INIZCTEOSA-N 2 2 337.427 2.050 20 30 EEEDLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000045877259 462627355 /nfs/dbraw/zinc/62/73/55/462627355.db2.gz OMGLXTDKDZANSJ-INIZCTEOSA-N 2 2 337.427 2.050 20 30 EEEDLP Cc1c(C#N)cccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000178558978 463920480 /nfs/dbraw/zinc/92/04/80/463920480.db2.gz UJXZBTCWIXMSNA-UHFFFAOYSA-N 2 2 343.475 2.356 20 30 EEEDLP Cc1c(C#N)cccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178558978 463920485 /nfs/dbraw/zinc/92/04/85/463920485.db2.gz UJXZBTCWIXMSNA-UHFFFAOYSA-N 2 2 343.475 2.356 20 30 EEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCc2ccccc2C1 ZINC000262186435 463967651 /nfs/dbraw/zinc/96/76/51/463967651.db2.gz GFGHGTFJEQBHFB-QGZVFWFLSA-N 2 2 337.471 2.442 20 30 EEEDLP C[S@@](=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000281213155 464373564 /nfs/dbraw/zinc/37/35/64/464373564.db2.gz YZYLCWUOLFXTMP-XMMPIXPASA-N 2 2 345.512 2.413 20 30 EEEDLP Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC[NH+]3CCCCC3)cn2)n1 ZINC000190091951 464595986 /nfs/dbraw/zinc/59/59/86/464595986.db2.gz OFGKZYPNLRABEZ-UHFFFAOYSA-N 2 2 342.447 2.007 20 30 EEEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192357385 464912567 /nfs/dbraw/zinc/91/25/67/464912567.db2.gz BDIUGXUGWJCFAY-HXUWFJFHSA-N 2 2 338.455 2.277 20 30 EEEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192357385 464912574 /nfs/dbraw/zinc/91/25/74/464912574.db2.gz BDIUGXUGWJCFAY-HXUWFJFHSA-N 2 2 338.455 2.277 20 30 EEEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174454 465557940 /nfs/dbraw/zinc/55/79/40/465557940.db2.gz IELBJABTJCYXFC-CABCVRRESA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174454 465557946 /nfs/dbraw/zinc/55/79/46/465557946.db2.gz IELBJABTJCYXFC-CABCVRRESA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174454 465557951 /nfs/dbraw/zinc/55/79/51/465557951.db2.gz IELBJABTJCYXFC-CABCVRRESA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330174454 465557955 /nfs/dbraw/zinc/55/79/55/465557955.db2.gz IELBJABTJCYXFC-CABCVRRESA-N 2 2 333.480 2.212 20 30 EEEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000361055866 465732752 /nfs/dbraw/zinc/73/27/52/465732752.db2.gz FTGLENJFUBTNKU-LJQANCHMSA-N 2 2 343.475 2.184 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000354279143 466437845 /nfs/dbraw/zinc/43/78/45/466437845.db2.gz MGKCVMBZUOUNSD-UHFFFAOYSA-N 2 2 338.455 2.241 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000519765967 468207175 /nfs/dbraw/zinc/20/71/75/468207175.db2.gz YJPSICSKXGOPIA-UHFFFAOYSA-N 2 2 340.471 2.190 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000519765967 468207179 /nfs/dbraw/zinc/20/71/79/468207179.db2.gz YJPSICSKXGOPIA-UHFFFAOYSA-N 2 2 340.471 2.190 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000558491271 468684362 /nfs/dbraw/zinc/68/43/62/468684362.db2.gz IGDYVHJOPOPKAY-UHFFFAOYSA-N 2 2 340.431 2.098 20 30 EEEDLP Cc1c[nH+]ccc1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593176035 468894792 /nfs/dbraw/zinc/89/47/92/468894792.db2.gz PMRVWWULARQBMB-UHFFFAOYSA-N 2 2 349.438 2.470 20 30 EEEDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000603426625 469392344 /nfs/dbraw/zinc/39/23/44/469392344.db2.gz CDLUEDHIIRMEGN-YLJYHZDGSA-N 2 2 342.487 2.005 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)C(C)(C)c2ccccc2)CC1 ZINC000776023953 577450678 /nfs/dbraw/zinc/45/06/78/577450678.db2.gz MEZFCRZBDLSQOV-LJQANCHMSA-N 2 2 341.499 2.110 20 30 EEEDLP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000763230638 577717305 /nfs/dbraw/zinc/71/73/05/577717305.db2.gz IUPOXFZIPIXMMH-FQEVSTJZSA-N 2 2 336.439 2.241 20 30 EEEDLP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000763230639 577717330 /nfs/dbraw/zinc/71/73/30/577717330.db2.gz IUPOXFZIPIXMMH-HXUWFJFHSA-N 2 2 336.439 2.241 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414558 679297871 /nfs/dbraw/zinc/29/78/71/679297871.db2.gz WDADNOMIENMEHW-GJZGRUSLSA-N 2 2 336.867 2.341 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414558 679297872 /nfs/dbraw/zinc/29/78/72/679297872.db2.gz WDADNOMIENMEHW-GJZGRUSLSA-N 2 2 336.867 2.341 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707272 679491248 /nfs/dbraw/zinc/49/12/48/679491248.db2.gz NSDGSTNODGJZJZ-CQSZACIVSA-N 2 2 336.867 2.342 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707272 679491250 /nfs/dbraw/zinc/49/12/50/679491250.db2.gz NSDGSTNODGJZJZ-CQSZACIVSA-N 2 2 336.867 2.342 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024757112 681418859 /nfs/dbraw/zinc/41/88/59/681418859.db2.gz ZPKJYGBQEYTZFG-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024757112 681418860 /nfs/dbraw/zinc/41/88/60/681418860.db2.gz ZPKJYGBQEYTZFG-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287978 682395298 /nfs/dbraw/zinc/39/52/98/682395298.db2.gz ILZPJVIAIHYWDX-QZTJIDSGSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287978 682395303 /nfs/dbraw/zinc/39/53/03/682395303.db2.gz ILZPJVIAIHYWDX-QZTJIDSGSA-N 2 2 330.476 2.384 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001029357520 684087069 /nfs/dbraw/zinc/08/70/69/684087069.db2.gz LVRJMECDRACKKZ-CEXWTWQISA-N 2 2 340.471 2.074 20 30 EEEDLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001029357520 684087070 /nfs/dbraw/zinc/08/70/70/684087070.db2.gz LVRJMECDRACKKZ-CEXWTWQISA-N 2 2 340.471 2.074 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974621311 685136915 /nfs/dbraw/zinc/13/69/15/685136915.db2.gz VBOQTONMGKZZMZ-MRXNPFEDSA-N 2 2 330.476 2.165 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974621311 685136920 /nfs/dbraw/zinc/13/69/20/685136920.db2.gz VBOQTONMGKZZMZ-MRXNPFEDSA-N 2 2 330.476 2.165 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990711671 693274767 /nfs/dbraw/zinc/27/47/67/693274767.db2.gz MWUMVZFQMVOLEG-XLIONFOSSA-N 2 2 336.439 2.393 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990711671 693274771 /nfs/dbraw/zinc/27/47/71/693274771.db2.gz MWUMVZFQMVOLEG-XLIONFOSSA-N 2 2 336.439 2.393 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877039 1192646865 /nfs/dbraw/zinc/64/68/65/1192646865.db2.gz LFJJQIYQZGEOJG-APWZRJJASA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877039 1192646867 /nfs/dbraw/zinc/64/68/67/1192646867.db2.gz LFJJQIYQZGEOJG-APWZRJJASA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001088385934 1186765089 /nfs/dbraw/zinc/76/50/89/1186765089.db2.gz XUVSSSKLJZSGSP-GVDBMIGSSA-N 2 2 330.476 2.461 20 30 EEEDLP C=C(C)CC[NH2+]C1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001105483917 1188101072 /nfs/dbraw/zinc/10/10/72/1188101072.db2.gz NIHRMCDVOGQGFW-UHFFFAOYSA-N 2 2 346.475 2.048 20 30 EEEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105574929 1188189080 /nfs/dbraw/zinc/18/90/80/1188189080.db2.gz MNUJYSCXSBIYKN-GOSISDBHSA-N 2 2 342.487 2.127 20 30 EEEDLP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001101024856 1188388689 /nfs/dbraw/zinc/38/86/89/1188388689.db2.gz JHPIMOLKRZIPSN-UHFFFAOYSA-N 2 2 333.501 2.167 20 30 EEEDLP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001101024856 1188388693 /nfs/dbraw/zinc/38/86/93/1188388693.db2.gz JHPIMOLKRZIPSN-UHFFFAOYSA-N 2 2 333.501 2.167 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)s1 ZINC001034955730 1196916625 /nfs/dbraw/zinc/91/66/25/1196916625.db2.gz JLWVQCUVYNNVPB-CQSZACIVSA-N 2 2 343.456 2.056 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)s1 ZINC001034955730 1196916628 /nfs/dbraw/zinc/91/66/28/1196916628.db2.gz JLWVQCUVYNNVPB-CQSZACIVSA-N 2 2 343.456 2.056 20 30 EEEDLP O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114228 1224766999 /nfs/dbraw/zinc/76/69/99/1224766999.db2.gz NNWQNGDZAGYQGZ-IBGZPJMESA-N 2 2 344.418 2.190 20 30 EEEDLP O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114228 1224767006 /nfs/dbraw/zinc/76/70/06/1224767006.db2.gz NNWQNGDZAGYQGZ-IBGZPJMESA-N 2 2 344.418 2.190 20 30 EEEDLP C#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)cc1 ZINC001275132633 1205264549 /nfs/dbraw/zinc/26/45/49/1205264549.db2.gz ZNKBWCLPYIGGRO-NRFANRHFSA-N 2 2 339.483 2.044 20 30 EEEDLP C#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)cc1 ZINC001275132633 1205264550 /nfs/dbraw/zinc/26/45/50/1205264550.db2.gz ZNKBWCLPYIGGRO-NRFANRHFSA-N 2 2 339.483 2.044 20 30 EEEDLP C#Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)cc1 ZINC001275132633 1205264552 /nfs/dbraw/zinc/26/45/52/1205264552.db2.gz ZNKBWCLPYIGGRO-NRFANRHFSA-N 2 2 339.483 2.044 20 30 EEEDLP C#Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)cc1 ZINC001275132633 1205264553 /nfs/dbraw/zinc/26/45/53/1205264553.db2.gz 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/nfs/dbraw/zinc/96/76/65/1304967665.db2.gz NZOAICRMERNDCD-DZFIZOCASA-N 2 2 330.476 2.456 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340287 1304967667 /nfs/dbraw/zinc/96/76/67/1304967667.db2.gz NZOAICRMERNDCD-DZFIZOCASA-N 2 2 330.476 2.456 20 30 EEEDLP CN(C)/C=[NH+]/c1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1C#N ZINC001240489072 1309342853 /nfs/dbraw/zinc/34/28/53/1309342853.db2.gz ICEFRZJXHLOEAE-OEAKJJBVSA-N 2 2 334.427 2.251 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001149966512 1316107648 /nfs/dbraw/zinc/10/76/48/1316107648.db2.gz LCDDVUIGBJRZIO-MRXNPFEDSA-N 2 2 342.443 2.121 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001149966512 1316107649 /nfs/dbraw/zinc/10/76/49/1316107649.db2.gz LCDDVUIGBJRZIO-MRXNPFEDSA-N 2 2 342.443 2.121 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824969 1316386498 /nfs/dbraw/zinc/38/64/98/1316386498.db2.gz PDDSNODUJXWZRG-QZTJIDSGSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824969 1316386500 /nfs/dbraw/zinc/38/65/00/1316386500.db2.gz PDDSNODUJXWZRG-QZTJIDSGSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362674 1316817598 /nfs/dbraw/zinc/81/75/98/1316817598.db2.gz RVNFFCDVTUNECS-OAHLLOKOSA-N 2 2 344.459 2.286 20 30 EEEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362674 1316817600 /nfs/dbraw/zinc/81/76/00/1316817600.db2.gz RVNFFCDVTUNECS-OAHLLOKOSA-N 2 2 344.459 2.286 20 30 EEEDLP N#CC1(c2ccc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)nc2)CCC1 ZINC001158260587 1319120455 /nfs/dbraw/zinc/12/04/55/1319120455.db2.gz FVNRXHBEKKJMGY-INIZCTEOSA-N 2 2 325.460 2.029 20 30 EEEDLP N#CC1(c2ccc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)nc2)CCC1 ZINC001158260587 1319120463 /nfs/dbraw/zinc/12/04/63/1319120463.db2.gz FVNRXHBEKKJMGY-INIZCTEOSA-N 2 2 325.460 2.029 20 30 EEEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468341 1319254116 /nfs/dbraw/zinc/25/41/16/1319254116.db2.gz TVNDIQSJPPXYNT-CVEARBPZSA-N 2 2 328.460 2.166 20 30 EEEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468341 1319254127 /nfs/dbraw/zinc/25/41/27/1319254127.db2.gz TVNDIQSJPPXYNT-CVEARBPZSA-N 2 2 328.460 2.166 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001164596610 1321429567 /nfs/dbraw/zinc/42/95/67/1321429567.db2.gz PNXCONRFSCGXPJ-QGZVFWFLSA-N 2 2 345.491 2.242 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001164596610 1321429571 /nfs/dbraw/zinc/42/95/71/1321429571.db2.gz PNXCONRFSCGXPJ-QGZVFWFLSA-N 2 2 345.491 2.242 20 30 EEEDLP Cc1[nH+]c2c(n1-c1nc(-c3ccncc3)ccc1C#N)CC[NH2+]CC2 ZINC001165355824 1321508447 /nfs/dbraw/zinc/50/84/47/1321508447.db2.gz ZXPYPTHMKKKBRD-UHFFFAOYSA-N 2 2 330.395 2.198 20 30 EEEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001339773808 1337071070 /nfs/dbraw/zinc/07/10/70/1337071070.db2.gz FSVAZXCMPMEHQH-JYJNAYRXSA-N 2 2 332.496 2.150 20 30 EEEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001339773808 1337071074 /nfs/dbraw/zinc/07/10/74/1337071074.db2.gz FSVAZXCMPMEHQH-JYJNAYRXSA-N 2 2 332.496 2.150 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001339773808 1337071077 /nfs/dbraw/zinc/07/10/77/1337071077.db2.gz FSVAZXCMPMEHQH-JYJNAYRXSA-N 2 2 332.496 2.150 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001339773808 1337071078 /nfs/dbraw/zinc/07/10/78/1337071078.db2.gz FSVAZXCMPMEHQH-JYJNAYRXSA-N 2 2 332.496 2.150 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286477 1368294612 /nfs/dbraw/zinc/29/46/12/1368294612.db2.gz TWWCPSZGECTCOY-RCCFBDPRSA-N 2 2 328.460 2.026 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286477 1368294619 /nfs/dbraw/zinc/29/46/19/1368294619.db2.gz TWWCPSZGECTCOY-RCCFBDPRSA-N 2 2 328.460 2.026 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001393791194 1390544222 /nfs/dbraw/zinc/54/42/22/1390544222.db2.gz YBTJJLVJBHVESF-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001393791194 1390544224 /nfs/dbraw/zinc/54/42/24/1390544224.db2.gz YBTJJLVJBHVESF-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001393791194 1390544225 /nfs/dbraw/zinc/54/42/25/1390544225.db2.gz YBTJJLVJBHVESF-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001393791194 1390544227 /nfs/dbraw/zinc/54/42/27/1390544227.db2.gz YBTJJLVJBHVESF-ZIAGYGMSSA-N 2 2 346.313 2.206 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755204189 1407215616 /nfs/dbraw/zinc/21/56/16/1407215616.db2.gz IEGSWDFXBUALLA-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755204189 1407215620 /nfs/dbraw/zinc/21/56/20/1407215620.db2.gz IEGSWDFXBUALLA-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001755678728 1407725967 /nfs/dbraw/zinc/72/59/67/1407725967.db2.gz OCFMJENQZWGTHN-HOTGVXAUSA-N 2 2 330.476 2.307 20 30 EEEDLP C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001167424871 758348926 /nfs/dbraw/zinc/34/89/26/758348926.db2.gz IOJPKUOLSGGRSM-HNNXBMFYSA-N 2 2 325.416 2.002 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460304 760895020 /nfs/dbraw/zinc/89/50/20/760895020.db2.gz OCQMVFOWZTVEHV-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460304 760895036 /nfs/dbraw/zinc/89/50/36/760895036.db2.gz OCQMVFOWZTVEHV-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442589 761381056 /nfs/dbraw/zinc/38/10/56/761381056.db2.gz SBEDFTBDHINZSB-HOTGVXAUSA-N 2 2 325.884 2.051 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442589 761381064 /nfs/dbraw/zinc/38/10/64/761381064.db2.gz SBEDFTBDHINZSB-HOTGVXAUSA-N 2 2 325.884 2.051 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424714 769021988 /nfs/dbraw/zinc/02/19/88/769021988.db2.gz XPAPHTJDIRSCTC-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424714 769022000 /nfs/dbraw/zinc/02/20/00/769022000.db2.gz XPAPHTJDIRSCTC-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031710940 773544829 /nfs/dbraw/zinc/54/48/29/773544829.db2.gz ANIBAYFCRUWROA-QGZVFWFLSA-N 2 2 346.500 2.042 20 30 EEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031710940 773544834 /nfs/dbraw/zinc/54/48/34/773544834.db2.gz ANIBAYFCRUWROA-QGZVFWFLSA-N 2 2 346.500 2.042 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660552 774044436 /nfs/dbraw/zinc/04/44/36/774044436.db2.gz LCXIQUSNSCGPSV-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660552 774044440 /nfs/dbraw/zinc/04/44/40/774044440.db2.gz LCXIQUSNSCGPSV-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027986335 775713970 /nfs/dbraw/zinc/71/39/70/775713970.db2.gz UWVOCQYKBXQOGB-HZPDHXFCSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027986335 775713981 /nfs/dbraw/zinc/71/39/81/775713981.db2.gz UWVOCQYKBXQOGB-HZPDHXFCSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986335 775713990 /nfs/dbraw/zinc/71/39/90/775713990.db2.gz UWVOCQYKBXQOGB-HZPDHXFCSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986335 775713998 /nfs/dbraw/zinc/71/39/98/775713998.db2.gz UWVOCQYKBXQOGB-HZPDHXFCSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC000981856069 778385238 /nfs/dbraw/zinc/38/52/38/778385238.db2.gz IEYDEBUGXCXKHJ-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC000981856069 778385246 /nfs/dbraw/zinc/38/52/46/778385246.db2.gz IEYDEBUGXCXKHJ-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC000981856069 778385255 /nfs/dbraw/zinc/38/52/55/778385255.db2.gz IEYDEBUGXCXKHJ-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC000981856069 778385263 /nfs/dbraw/zinc/38/52/63/778385263.db2.gz IEYDEBUGXCXKHJ-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981856958 778403200 /nfs/dbraw/zinc/40/32/00/778403200.db2.gz RSWJXQYXXZEBSX-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981856958 778403203 /nfs/dbraw/zinc/40/32/03/778403203.db2.gz RSWJXQYXXZEBSX-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269310 779466222 /nfs/dbraw/zinc/46/62/22/779466222.db2.gz SSUJFJSZWDMOJX-KDURUIRLSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269310 779466227 /nfs/dbraw/zinc/46/62/27/779466227.db2.gz SSUJFJSZWDMOJX-KDURUIRLSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@]2(C)C1 ZINC000982281143 779513329 /nfs/dbraw/zinc/51/33/29/779513329.db2.gz PYTLSGGITPVLDL-BGYRXZFFSA-N 2 2 336.439 2.060 20 30 EEEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@]2(C)C1 ZINC000982281143 779513342 /nfs/dbraw/zinc/51/33/42/779513342.db2.gz PYTLSGGITPVLDL-BGYRXZFFSA-N 2 2 336.439 2.060 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982299394 779625003 /nfs/dbraw/zinc/62/50/03/779625003.db2.gz FMVAYFVERYMTKQ-RGCFKVTRSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982299394 779625006 /nfs/dbraw/zinc/62/50/06/779625006.db2.gz FMVAYFVERYMTKQ-RGCFKVTRSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982299394 779625009 /nfs/dbraw/zinc/62/50/09/779625009.db2.gz FMVAYFVERYMTKQ-RGCFKVTRSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982299394 779625015 /nfs/dbraw/zinc/62/50/15/779625015.db2.gz FMVAYFVERYMTKQ-RGCFKVTRSA-N 2 2 328.460 2.260 20 30 EEEDLP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035202097 784045892 /nfs/dbraw/zinc/04/58/92/784045892.db2.gz ZYRNETNJDCQPOF-UHFFFAOYSA-N 2 2 342.487 2.264 20 30 EEEDLP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035202097 784045896 /nfs/dbraw/zinc/04/58/96/784045896.db2.gz ZYRNETNJDCQPOF-UHFFFAOYSA-N 2 2 342.487 2.264 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896123 785234354 /nfs/dbraw/zinc/23/43/54/785234354.db2.gz UUUXSHPPVNJCNQ-QAPCUYQASA-N 2 2 345.491 2.078 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896123 785234359 /nfs/dbraw/zinc/23/43/59/785234359.db2.gz UUUXSHPPVNJCNQ-QAPCUYQASA-N 2 2 345.491 2.078 20 30 EEEDLP C=C[C@@H]1C[C@@]1(Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCC ZINC001170928414 785564147 /nfs/dbraw/zinc/56/41/47/785564147.db2.gz PQGWDCOHOFUUAN-MDZRGWNJSA-N 2 2 329.444 2.139 20 30 EEEDLP C=C[C@@H]1C[C@@]1(Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCC ZINC001170928414 785564149 /nfs/dbraw/zinc/56/41/49/785564149.db2.gz PQGWDCOHOFUUAN-MDZRGWNJSA-N 2 2 329.444 2.139 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190570 786106056 /nfs/dbraw/zinc/10/60/56/786106056.db2.gz LSPUAVVJEUTYLO-QZTJIDSGSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996190570 786106059 /nfs/dbraw/zinc/10/60/59/786106059.db2.gz LSPUAVVJEUTYLO-QZTJIDSGSA-N 2 2 349.519 2.033 20 30 EEEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823888144 787982917 /nfs/dbraw/zinc/98/29/17/787982917.db2.gz GETFEXSWWODTAO-CQSZACIVSA-N 2 2 326.448 2.385 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]2C1 ZINC000946841990 788501117 /nfs/dbraw/zinc/50/11/17/788501117.db2.gz DAVNRVQTFTYASC-KDURUIRLSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]2C1 ZINC000946841990 788501122 /nfs/dbraw/zinc/50/11/22/788501122.db2.gz DAVNRVQTFTYASC-KDURUIRLSA-N 2 2 348.450 2.290 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449066 788820251 /nfs/dbraw/zinc/82/02/51/788820251.db2.gz TWPMNIPBKPQMDH-SZVBFZGTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449066 788820259 /nfs/dbraw/zinc/82/02/59/788820259.db2.gz TWPMNIPBKPQMDH-SZVBFZGTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991469382 789008233 /nfs/dbraw/zinc/00/82/33/789008233.db2.gz GDJBIICJDSNALV-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991469382 789008241 /nfs/dbraw/zinc/00/82/41/789008241.db2.gz GDJBIICJDSNALV-JTDSTZFVSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000997378739 789872381 /nfs/dbraw/zinc/87/23/81/789872381.db2.gz JKSAYWBSOOOEEW-INIZCTEOSA-N 2 2 336.867 2.017 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998046215 791882999 /nfs/dbraw/zinc/88/29/99/791882999.db2.gz NMLHCRGRTWQREQ-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998046215 791883002 /nfs/dbraw/zinc/88/30/02/791883002.db2.gz NMLHCRGRTWQREQ-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050993 791892500 /nfs/dbraw/zinc/89/25/00/791892500.db2.gz KNQRXQSHPABWNL-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050993 791892503 /nfs/dbraw/zinc/89/25/03/791892503.db2.gz KNQRXQSHPABWNL-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC000992400106 793964098 /nfs/dbraw/zinc/96/40/98/793964098.db2.gz UAZCIJVRDOEDLV-IEBWSBKVSA-N 2 2 337.427 2.180 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC000992400106 793964101 /nfs/dbraw/zinc/96/41/01/793964101.db2.gz UAZCIJVRDOEDLV-IEBWSBKVSA-N 2 2 337.427 2.180 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742633 794287955 /nfs/dbraw/zinc/28/79/55/794287955.db2.gz XYSZIBXQTFVXFY-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742633 794287960 /nfs/dbraw/zinc/28/79/60/794287960.db2.gz XYSZIBXQTFVXFY-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991008 797201283 /nfs/dbraw/zinc/20/12/83/797201283.db2.gz TYVSBBZQFGPMLL-WCXIOVBPSA-N 2 2 348.491 2.304 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991008 797201287 /nfs/dbraw/zinc/20/12/87/797201287.db2.gz TYVSBBZQFGPMLL-WCXIOVBPSA-N 2 2 348.491 2.304 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991008 797201294 /nfs/dbraw/zinc/20/12/94/797201294.db2.gz TYVSBBZQFGPMLL-WCXIOVBPSA-N 2 2 348.491 2.304 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]21 ZINC001172991008 797201299 /nfs/dbraw/zinc/20/12/99/797201299.db2.gz TYVSBBZQFGPMLL-WCXIOVBPSA-N 2 2 348.491 2.304 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994061873 797269427 /nfs/dbraw/zinc/26/94/27/797269427.db2.gz VNIQABHOCBGYTR-JKSUJKDBSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994061873 797269429 /nfs/dbraw/zinc/26/94/29/797269429.db2.gz VNIQABHOCBGYTR-JKSUJKDBSA-N 2 2 327.900 2.440 20 30 EEEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563292 806584530 /nfs/dbraw/zinc/58/45/30/806584530.db2.gz PCQFRUKZVHYAQE-LPHOPBHVSA-N 2 2 330.476 2.147 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754518 798431521 /nfs/dbraw/zinc/43/15/21/798431521.db2.gz SGHWDYVBSJSBHI-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754518 798431526 /nfs/dbraw/zinc/43/15/26/798431526.db2.gz SGHWDYVBSJSBHI-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728491 798539865 /nfs/dbraw/zinc/53/98/65/798539865.db2.gz KRHGJLPQUFJWQM-MRXNPFEDSA-N 2 2 347.528 2.394 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728491 798539868 /nfs/dbraw/zinc/53/98/68/798539868.db2.gz KRHGJLPQUFJWQM-MRXNPFEDSA-N 2 2 347.528 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958252 798577463 /nfs/dbraw/zinc/57/74/63/798577463.db2.gz RUUOEQPVUOHELK-PMPSAXMXSA-N 2 2 348.878 2.436 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958252 798577466 /nfs/dbraw/zinc/57/74/66/798577466.db2.gz RUUOEQPVUOHELK-PMPSAXMXSA-N 2 2 348.878 2.436 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170060270 806819990 /nfs/dbraw/zinc/81/99/90/806819990.db2.gz IFNGOEVTMFJMTD-OAHLLOKOSA-N 2 2 327.432 2.332 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952403 800974438 /nfs/dbraw/zinc/97/44/38/800974438.db2.gz YDKFMAPIYYGQAV-JTDSTZFVSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001182654262 801299699 /nfs/dbraw/zinc/29/96/99/801299699.db2.gz HSHHWVIVKDEPHU-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098850649 801701694 /nfs/dbraw/zinc/70/16/94/801701694.db2.gz YYFUPJMRNDIOIP-HKUYNNGSSA-N 2 2 342.487 2.293 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004467566 802147116 /nfs/dbraw/zinc/14/71/16/802147116.db2.gz YMIJCAOSYVDQKD-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004467566 802147122 /nfs/dbraw/zinc/14/71/22/802147122.db2.gz YMIJCAOSYVDQKD-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004467566 802147127 /nfs/dbraw/zinc/14/71/27/802147127.db2.gz YMIJCAOSYVDQKD-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004467566 802147132 /nfs/dbraw/zinc/14/71/32/802147132.db2.gz YMIJCAOSYVDQKD-LMMKCTJWSA-N 2 2 340.471 2.240 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184850153 802198667 /nfs/dbraw/zinc/19/86/67/802198667.db2.gz BWEYTPUYZPYNHZ-HIFRSBDPSA-N 2 2 338.883 2.179 20 30 EEEDLP C[N@H+](CCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000115596328 152033785 /nfs/dbraw/zinc/03/37/85/152033785.db2.gz ZMESYJIXNACKPD-GOSISDBHSA-N 2 2 328.460 2.329 20 30 EEEDLP C[N@@H+](CCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000115596328 152033788 /nfs/dbraw/zinc/03/37/88/152033788.db2.gz ZMESYJIXNACKPD-GOSISDBHSA-N 2 2 328.460 2.329 20 30 EEEDLP CCO[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000354969541 163037105 /nfs/dbraw/zinc/03/71/05/163037105.db2.gz QWLXFLAPUPOSFR-UXHICEINSA-N 2 2 343.471 2.306 20 30 EEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000328607640 465068367 /nfs/dbraw/zinc/06/83/67/465068367.db2.gz LIHSWBHGJLPNOY-CVEARBPZSA-N 2 2 331.464 2.092 20 30 EEEDLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797492 465131590 /nfs/dbraw/zinc/13/15/90/465131590.db2.gz VUMJWBNKKVQBHV-QUCCMNQESA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797492 465131596 /nfs/dbraw/zinc/13/15/96/465131596.db2.gz VUMJWBNKKVQBHV-QUCCMNQESA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797492 465131600 /nfs/dbraw/zinc/13/16/00/465131600.db2.gz VUMJWBNKKVQBHV-QUCCMNQESA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000328797492 465131603 /nfs/dbraw/zinc/13/16/03/465131603.db2.gz VUMJWBNKKVQBHV-QUCCMNQESA-N 2 2 338.455 2.081 20 30 EEEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000579228474 468329102 /nfs/dbraw/zinc/32/91/02/468329102.db2.gz ORZWQPIEAKKYGG-GOSISDBHSA-N 2 2 325.412 2.028 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000277270171 463906711 /nfs/dbraw/zinc/90/67/11/463906711.db2.gz RNAFRAUWSOVVDG-QGZVFWFLSA-N 2 2 328.460 2.349 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000277270171 463906716 /nfs/dbraw/zinc/90/67/16/463906716.db2.gz RNAFRAUWSOVVDG-QGZVFWFLSA-N 2 2 328.460 2.349 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000264842129 464486132 /nfs/dbraw/zinc/48/61/32/464486132.db2.gz AWEAWCRCGGHNRB-CMDGGOBGSA-N 2 2 340.471 2.056 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000264842129 464486138 /nfs/dbraw/zinc/48/61/38/464486138.db2.gz AWEAWCRCGGHNRB-CMDGGOBGSA-N 2 2 340.471 2.056 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(CCC(=O)OC)c2C)CC1 ZINC000182188029 464595502 /nfs/dbraw/zinc/59/55/02/464595502.db2.gz JPNKDVUWMQLWMH-UHFFFAOYSA-N 2 2 348.491 2.193 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000295103050 464706726 /nfs/dbraw/zinc/70/67/26/464706726.db2.gz WHBXSVZCUJYPEH-CQSZACIVSA-N 2 2 329.423 2.321 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000295103050 464706730 /nfs/dbraw/zinc/70/67/30/464706730.db2.gz WHBXSVZCUJYPEH-CQSZACIVSA-N 2 2 329.423 2.321 20 30 EEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000274848064 464757286 /nfs/dbraw/zinc/75/72/86/464757286.db2.gz QGIXTZGSVIPIPX-AOIWGVFYSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000274848064 464757290 /nfs/dbraw/zinc/75/72/90/464757290.db2.gz QGIXTZGSVIPIPX-AOIWGVFYSA-N 2 2 342.487 2.247 20 30 EEEDLP CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267471140 464932860 /nfs/dbraw/zinc/93/28/60/464932860.db2.gz VXWDRUGXKOVVOI-OAHLLOKOSA-N 2 2 348.491 2.470 20 30 EEEDLP O=C(C[N@@H+]1CCc2ccccc2[C@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329990585 465498806 /nfs/dbraw/zinc/49/88/06/465498806.db2.gz JBKIQJGGMLHFHV-LJQANCHMSA-N 2 2 343.471 2.161 20 30 EEEDLP O=C(C[N@H+]1CCc2ccccc2[C@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329990585 465498810 /nfs/dbraw/zinc/49/88/10/465498810.db2.gz JBKIQJGGMLHFHV-LJQANCHMSA-N 2 2 343.471 2.161 20 30 EEEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329405357 465323955 /nfs/dbraw/zinc/32/39/55/465323955.db2.gz BRDXMVMEYUEJRZ-GDBMZVCRSA-N 2 2 331.464 2.192 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+][C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329757177 465424909 /nfs/dbraw/zinc/42/49/09/465424909.db2.gz ZEKDCPMPUVCOFZ-GFCCVEGCSA-N 2 2 342.447 2.096 20 30 EEEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+]C[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000329936130 465479515 /nfs/dbraw/zinc/47/95/15/465479515.db2.gz CWIGFLVQRXZFBG-NVXWUHKLSA-N 2 2 345.491 2.023 20 30 EEEDLP [O-]C(NC1CC[NH+](CC2CCCC2)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330169712 465557382 /nfs/dbraw/zinc/55/73/82/465557382.db2.gz DINQMSLSARQOSC-KRWDZBQOSA-N 2 2 345.491 2.356 20 30 EEEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](CC2CCCC2)CC1 ZINC000330169712 465557387 /nfs/dbraw/zinc/55/73/87/465557387.db2.gz DINQMSLSARQOSC-KRWDZBQOSA-N 2 2 345.491 2.356 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330569940 465710036 /nfs/dbraw/zinc/71/00/36/465710036.db2.gz MHAYRJNLQLROLF-YFHUEUNASA-N 2 2 331.464 2.209 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330569940 465710041 /nfs/dbraw/zinc/71/00/41/465710041.db2.gz MHAYRJNLQLROLF-YFHUEUNASA-N 2 2 331.464 2.209 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330569935 465710422 /nfs/dbraw/zinc/71/04/22/465710422.db2.gz MHAYRJNLQLROLF-KONPQCLYSA-N 2 2 331.464 2.209 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330569935 465710427 /nfs/dbraw/zinc/71/04/27/465710427.db2.gz MHAYRJNLQLROLF-KONPQCLYSA-N 2 2 331.464 2.209 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353574881 465988135 /nfs/dbraw/zinc/98/81/35/465988135.db2.gz NHWKOPKFZGXWJQ-APWZRJJASA-N 2 2 348.491 2.476 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353574881 465988138 /nfs/dbraw/zinc/98/81/38/465988138.db2.gz NHWKOPKFZGXWJQ-APWZRJJASA-N 2 2 348.491 2.476 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353574881 465988142 /nfs/dbraw/zinc/98/81/42/465988142.db2.gz NHWKOPKFZGXWJQ-APWZRJJASA-N 2 2 348.491 2.476 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353574881 465988145 /nfs/dbraw/zinc/98/81/45/465988145.db2.gz NHWKOPKFZGXWJQ-APWZRJJASA-N 2 2 348.491 2.476 20 30 EEEDLP COc1ccc([C@H]([NH2+]C2CCN(CC#N)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000591570956 468485318 /nfs/dbraw/zinc/48/53/18/468485318.db2.gz LECBNMRCGJCYOF-MOPGFXCFSA-N 2 2 328.460 2.066 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365278958 466766261 /nfs/dbraw/zinc/76/62/61/466766261.db2.gz XIVHPIYMQKTCOG-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365278958 466766266 /nfs/dbraw/zinc/76/62/66/466766266.db2.gz XIVHPIYMQKTCOG-HNAYVOBHSA-N 2 2 330.451 2.155 20 30 EEEDLP C=CCOc1c(Br)cc(C[NH2+]CC[NH2+]C)cc1OC ZINC000414819417 467436017 /nfs/dbraw/zinc/43/60/17/467436017.db2.gz HKLNGGBXSVTUMS-UHFFFAOYSA-N 2 2 329.238 2.332 20 30 EEEDLP C=CCN(C)CC[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926393 467517918 /nfs/dbraw/zinc/51/79/18/467517918.db2.gz YDLNTLMOVBERBF-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP C=CCN(C)CC[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926393 467517922 /nfs/dbraw/zinc/51/79/22/467517922.db2.gz YDLNTLMOVBERBF-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP C=CC[N@@H+](C)CCN(CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926393 467517925 /nfs/dbraw/zinc/51/79/25/467517925.db2.gz YDLNTLMOVBERBF-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP C=CC[N@H+](C)CCN(CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926393 467517930 /nfs/dbraw/zinc/51/79/30/467517930.db2.gz YDLNTLMOVBERBF-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444217117 467582170 /nfs/dbraw/zinc/58/21/70/467582170.db2.gz VZMGBEMAGXIXIY-ZHALLVOQSA-N 2 2 334.508 2.237 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444217117 467582171 /nfs/dbraw/zinc/58/21/71/467582171.db2.gz VZMGBEMAGXIXIY-ZHALLVOQSA-N 2 2 334.508 2.237 20 30 EEEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000527135731 467655930 /nfs/dbraw/zinc/65/59/30/467655930.db2.gz XWHWUHACUXXVMI-UHFFFAOYSA-N 2 2 340.471 2.145 20 30 EEEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000527135731 467655934 /nfs/dbraw/zinc/65/59/34/467655934.db2.gz XWHWUHACUXXVMI-UHFFFAOYSA-N 2 2 340.471 2.145 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000488576787 468092744 /nfs/dbraw/zinc/09/27/44/468092744.db2.gz CPHYXPKYSJAEQD-IRXDYDNUSA-N 2 2 345.491 2.196 20 30 EEEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569573026 468512106 /nfs/dbraw/zinc/51/21/06/468512106.db2.gz OEDNZIYTEBWMDR-ZIAGYGMSSA-N 2 2 347.488 2.187 20 30 EEEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569573026 468512112 /nfs/dbraw/zinc/51/21/12/468512112.db2.gz OEDNZIYTEBWMDR-ZIAGYGMSSA-N 2 2 347.488 2.187 20 30 EEEDLP CC[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000593558380 469034575 /nfs/dbraw/zinc/03/45/75/469034575.db2.gz UYAXRIQBINMHMC-NXHRZFHOSA-N 2 2 334.508 2.332 20 30 EEEDLP CC[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000593558380 469034580 /nfs/dbraw/zinc/03/45/80/469034580.db2.gz UYAXRIQBINMHMC-NXHRZFHOSA-N 2 2 334.508 2.332 20 30 EEEDLP C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000602870623 469130991 /nfs/dbraw/zinc/13/09/91/469130991.db2.gz UWYUKKSAWQHBAX-JKSUJKDBSA-N 2 2 328.460 2.047 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC000602048710 469161430 /nfs/dbraw/zinc/16/14/30/469161430.db2.gz ZPNFIMMVHUBORC-QZTJIDSGSA-N 2 2 349.438 2.119 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC000602048710 469161434 /nfs/dbraw/zinc/16/14/34/469161434.db2.gz ZPNFIMMVHUBORC-QZTJIDSGSA-N 2 2 349.438 2.119 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC000602048710 469161438 /nfs/dbraw/zinc/16/14/38/469161438.db2.gz ZPNFIMMVHUBORC-QZTJIDSGSA-N 2 2 349.438 2.119 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC000602048710 469161442 /nfs/dbraw/zinc/16/14/42/469161442.db2.gz ZPNFIMMVHUBORC-QZTJIDSGSA-N 2 2 349.438 2.119 20 30 EEEDLP C=CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000661754901 471873979 /nfs/dbraw/zinc/87/39/79/471873979.db2.gz GFXMXTZLURKMMJ-UHFFFAOYSA-N 2 2 330.476 2.407 20 30 EEEDLP C=CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000661754901 471873982 /nfs/dbraw/zinc/87/39/82/471873982.db2.gz GFXMXTZLURKMMJ-UHFFFAOYSA-N 2 2 330.476 2.407 20 30 EEEDLP C[NH+](C)CCCC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766633922 577522501 /nfs/dbraw/zinc/52/25/01/577522501.db2.gz UFPNKCYERQURED-UHFFFAOYSA-N 2 2 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/nfs/dbraw/zinc/29/67/31/794296731.db2.gz QQGOVSIJEDRZPA-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092749035 794296737 /nfs/dbraw/zinc/29/67/37/794296737.db2.gz QQGOVSIJEDRZPA-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092749035 794296741 /nfs/dbraw/zinc/29/67/41/794296741.db2.gz QQGOVSIJEDRZPA-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092749035 794296746 /nfs/dbraw/zinc/29/67/46/794296746.db2.gz QQGOVSIJEDRZPA-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001093396858 795170086 /nfs/dbraw/zinc/17/00/86/795170086.db2.gz QUKNCLHXRXYTHG-UHFFFAOYSA-N 2 2 346.475 2.048 20 30 EEEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCS[C@@H](C(C)C)C1 ZINC000153766124 796598917 /nfs/dbraw/zinc/59/89/17/796598917.db2.gz CRSYFJMMVFSOKN-MRXNPFEDSA-N 2 2 349.548 2.411 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001171919122 796799064 /nfs/dbraw/zinc/79/90/64/796799064.db2.gz WOLMMUPLDGGCLA-MSOLQXFVSA-N 2 2 339.524 2.328 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001171919122 796799070 /nfs/dbraw/zinc/79/90/70/796799070.db2.gz WOLMMUPLDGGCLA-MSOLQXFVSA-N 2 2 339.524 2.328 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001084445740 798230540 /nfs/dbraw/zinc/23/05/40/798230540.db2.gz FDEHDBIHLDBTPY-IAGOWNOFSA-N 2 2 330.476 2.426 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001084445740 798230543 /nfs/dbraw/zinc/23/05/43/798230543.db2.gz FDEHDBIHLDBTPY-IAGOWNOFSA-N 2 2 330.476 2.426 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176143429 798346232 /nfs/dbraw/zinc/34/62/32/798346232.db2.gz DWLUSAQVTFPHCZ-INIZCTEOSA-N 2 2 339.443 2.169 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768883 798444278 /nfs/dbraw/zinc/44/42/78/798444278.db2.gz IBHMJCVXJAETNZ-QFUCXCTJSA-N 2 2 339.483 2.019 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768883 798444281 /nfs/dbraw/zinc/44/42/81/798444281.db2.gz IBHMJCVXJAETNZ-QFUCXCTJSA-N 2 2 339.483 2.019 20 30 EEEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108712003 804397086 /nfs/dbraw/zinc/39/70/86/804397086.db2.gz YXVPXTWOZJCIEK-BBWFWOEESA-N 2 2 330.476 2.472 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001113252423 808570968 /nfs/dbraw/zinc/57/09/68/808570968.db2.gz OHQGGRIZDQJAHH-IEBWSBKVSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001113252423 808570973 /nfs/dbraw/zinc/57/09/73/808570973.db2.gz OHQGGRIZDQJAHH-IEBWSBKVSA-N 2 2 349.519 2.129 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC[NH+](C)C ZINC001440260698 1093363082 /nfs/dbraw/zinc/36/30/82/1093363082.db2.gz YWSJXUDSFRVRBL-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC[NH+](C)C ZINC001440260698 1093363095 /nfs/dbraw/zinc/36/30/95/1093363095.db2.gz YWSJXUDSFRVRBL-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001440420760 1093616555 /nfs/dbraw/zinc/61/65/55/1093616555.db2.gz LNXWXMDWFKWMQA-HIFRSBDPSA-N 2 2 338.883 2.322 20 30 EEEDLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001449312644 1094266607 /nfs/dbraw/zinc/26/66/07/1094266607.db2.gz FTVORTQJGHDJAI-HNNXBMFYSA-N 2 2 345.472 2.206 20 30 EEEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001474187433 1110591060 /nfs/dbraw/zinc/59/10/60/1110591060.db2.gz MQLIFEGQMZYHJD-ZWKOTPCHSA-N 2 2 329.444 2.179 20 30 EEEDLP N#Cc1cccc(C[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC001499287234 1112218034 /nfs/dbraw/zinc/21/80/34/1112218034.db2.gz JBMXBOSOTTVNKQ-UHFFFAOYSA-N 2 2 345.406 2.258 20 30 EEEDLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000329000016 539765632 /nfs/dbraw/zinc/76/56/32/539765632.db2.gz HIJHAFYXGOUSDM-MRXNPFEDSA-N 2 2 347.459 2.075 20 30 EEEDLP Cc1ccc(C#N)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267417555 256057973 /nfs/dbraw/zinc/05/79/73/256057973.db2.gz ZWCMCCJLTLWPQC-UHFFFAOYSA-N 2 2 329.448 2.014 20 30 EEEDLP COCCOC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344303950 161215903 /nfs/dbraw/zinc/21/59/03/161215903.db2.gz MMPOCWFVEWNJBD-MRXNPFEDSA-N 2 2 331.460 2.164 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087675850 782046939 /nfs/dbraw/zinc/04/69/39/782046939.db2.gz GRIZOZODRFFTRZ-RBUKOAKNSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087675850 782046951 /nfs/dbraw/zinc/04/69/51/782046951.db2.gz GRIZOZODRFFTRZ-RBUKOAKNSA-N 2 2 336.439 2.478 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000140052149 277069240 /nfs/dbraw/zinc/06/92/40/277069240.db2.gz RVBYIQZNUDPLMY-NZSAHSFTSA-N 2 2 338.455 2.080 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000140052149 277069241 /nfs/dbraw/zinc/06/92/41/277069241.db2.gz RVBYIQZNUDPLMY-NZSAHSFTSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000140052149 277069242 /nfs/dbraw/zinc/06/92/42/277069242.db2.gz RVBYIQZNUDPLMY-NZSAHSFTSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000140052149 277069244 /nfs/dbraw/zinc/06/92/44/277069244.db2.gz RVBYIQZNUDPLMY-NZSAHSFTSA-N 2 2 338.455 2.080 20 30 EEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328609513 465068878 /nfs/dbraw/zinc/06/88/78/465068878.db2.gz MVXFGBJRIJXGAR-XHSDSOJGSA-N 2 2 331.464 2.233 20 30 EEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328609513 465068880 /nfs/dbraw/zinc/06/88/80/465068880.db2.gz MVXFGBJRIJXGAR-XHSDSOJGSA-N 2 2 331.464 2.233 20 30 EEEDLP C=CCOc1cccc(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)c1 ZINC000131145257 462794239 /nfs/dbraw/zinc/79/42/39/462794239.db2.gz XMYBUAKOWKRENO-UHFFFAOYSA-N 2 2 345.487 2.237 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000066921172 462946363 /nfs/dbraw/zinc/94/63/63/462946363.db2.gz VOVLKTJSUMZZEP-UHFFFAOYSA-N 2 2 326.375 2.295 20 30 EEEDLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000152386035 463683490 /nfs/dbraw/zinc/68/34/90/463683490.db2.gz NDVWLNJATVKTQW-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000152386035 463683491 /nfs/dbraw/zinc/68/34/91/463683491.db2.gz NDVWLNJATVKTQW-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152386035 463683494 /nfs/dbraw/zinc/68/34/94/463683494.db2.gz NDVWLNJATVKTQW-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152386035 463683496 /nfs/dbraw/zinc/68/34/96/463683496.db2.gz NDVWLNJATVKTQW-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP C#CC[N@@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000266902791 464864338 /nfs/dbraw/zinc/86/43/38/464864338.db2.gz HDWCSCQTRYOJGS-UHFFFAOYSA-N 2 2 331.485 2.129 20 30 EEEDLP C#CC[N@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000266902791 464864344 /nfs/dbraw/zinc/86/43/44/464864344.db2.gz HDWCSCQTRYOJGS-UHFFFAOYSA-N 2 2 331.485 2.129 20 30 EEEDLP CCCCc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)no1 ZINC000266999986 464900446 /nfs/dbraw/zinc/90/04/46/464900446.db2.gz GUOOBBCIDDGOJU-UHFFFAOYSA-N 2 2 331.420 2.311 20 30 EEEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891383 464923130 /nfs/dbraw/zinc/92/31/30/464923130.db2.gz MDECCXGWYHBOIF-BXUZGUMPSA-N 2 2 346.397 2.247 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)CC1 ZINC000329811353 465441227 /nfs/dbraw/zinc/44/12/27/465441227.db2.gz MSJMQKQZCJCORB-CQSZACIVSA-N 2 2 345.491 2.030 20 30 EEEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329870882 465458951 /nfs/dbraw/zinc/45/89/51/465458951.db2.gz AIFNIZIEAXARDC-NVXWUHKLSA-N 2 2 332.448 2.181 20 30 EEEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329870882 465458955 /nfs/dbraw/zinc/45/89/55/465458955.db2.gz AIFNIZIEAXARDC-NVXWUHKLSA-N 2 2 332.448 2.181 20 30 EEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332376445 466532907 /nfs/dbraw/zinc/53/29/07/466532907.db2.gz DNIMNKJLGYLUNB-OAHLLOKOSA-N 2 2 336.443 2.297 20 30 EEEDLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000365735227 466922822 /nfs/dbraw/zinc/92/28/22/466922822.db2.gz KJPKMILWGNSVOV-VQTJNVASSA-N 2 2 342.487 2.005 20 30 EEEDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413169405 467182823 /nfs/dbraw/zinc/18/28/23/467182823.db2.gz KTABXAGLIUUUEM-UHFFFAOYSA-N 2 2 331.420 2.213 20 30 EEEDLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)C#N ZINC000433315872 467317228 /nfs/dbraw/zinc/31/72/28/467317228.db2.gz ZJFZPVGYZHPPMV-SJLPKXTDSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433315872 467317231 /nfs/dbraw/zinc/31/72/31/467317231.db2.gz ZJFZPVGYZHPPMV-SJLPKXTDSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)C#N ZINC000433315872 467317235 /nfs/dbraw/zinc/31/72/35/467317235.db2.gz ZJFZPVGYZHPPMV-SJLPKXTDSA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)C#N ZINC000433315872 467317240 /nfs/dbraw/zinc/31/72/40/467317240.db2.gz ZJFZPVGYZHPPMV-SJLPKXTDSA-N 2 2 342.487 2.247 20 30 EEEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566120726 468144250 /nfs/dbraw/zinc/14/42/50/468144250.db2.gz PHUDZIKYFNDTRK-XEYPJELSSA-N 2 2 332.488 2.234 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000602636046 468981360 /nfs/dbraw/zinc/98/13/60/468981360.db2.gz HVDQKCZHABGUIO-FQEVSTJZSA-N 2 2 336.439 2.334 20 30 EEEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000602636046 468981367 /nfs/dbraw/zinc/98/13/67/468981367.db2.gz HVDQKCZHABGUIO-FQEVSTJZSA-N 2 2 336.439 2.334 20 30 EEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccc(=O)[nH]n1 ZINC000593719883 469106707 /nfs/dbraw/zinc/10/67/07/469106707.db2.gz DFTDQIGMPCTPFG-CQSZACIVSA-N 2 2 337.427 2.369 20 30 EEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000563010420 469134595 /nfs/dbraw/zinc/13/45/95/469134595.db2.gz GKYLPTSMCMTWBV-SFHVURJKSA-N 2 2 341.455 2.477 20 30 EEEDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000612117407 469399169 /nfs/dbraw/zinc/39/91/69/469399169.db2.gz KRKLWZJZGQOJPP-GOSISDBHSA-N 2 2 343.471 2.053 20 30 EEEDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000612117407 469399176 /nfs/dbraw/zinc/39/91/76/469399176.db2.gz KRKLWZJZGQOJPP-GOSISDBHSA-N 2 2 343.471 2.053 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c(C#N)nnc4ccccc43)C2)CC1 ZINC000610130639 469983594 /nfs/dbraw/zinc/98/35/94/469983594.db2.gz BEBOENYYZQHJRL-CQSZACIVSA-N 2 2 336.443 2.082 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c(C#N)nnc4ccccc43)C2)CC1 ZINC000610130639 469983596 /nfs/dbraw/zinc/98/35/96/469983596.db2.gz BEBOENYYZQHJRL-CQSZACIVSA-N 2 2 336.443 2.082 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000660707921 471455468 /nfs/dbraw/zinc/45/54/68/471455468.db2.gz SQAFIHHSWGLYGV-UHFFFAOYSA-N 2 2 343.475 2.131 20 30 EEEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591736357 485594618 /nfs/dbraw/zinc/59/46/18/485594618.db2.gz IWFPQHBSRNZWAR-PMACEKPBSA-N 2 2 344.503 2.010 20 30 EEEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591736357 485594623 /nfs/dbraw/zinc/59/46/23/485594623.db2.gz IWFPQHBSRNZWAR-PMACEKPBSA-N 2 2 344.503 2.010 20 30 EEEDLP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160094906 528804203 /nfs/dbraw/zinc/80/42/03/528804203.db2.gz ULHQDRXRESYJCY-JKSUJKDBSA-N 2 2 333.480 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000730285783 577016443 /nfs/dbraw/zinc/01/64/43/577016443.db2.gz JAXGOOXJWYRLJB-IBGZPJMESA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000730285783 577016444 /nfs/dbraw/zinc/01/64/44/577016444.db2.gz JAXGOOXJWYRLJB-IBGZPJMESA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000730285783 577016445 /nfs/dbraw/zinc/01/64/45/577016445.db2.gz JAXGOOXJWYRLJB-IBGZPJMESA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000730285783 577016446 /nfs/dbraw/zinc/01/64/46/577016446.db2.gz JAXGOOXJWYRLJB-IBGZPJMESA-N 2 2 339.483 2.207 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000732076004 577146343 /nfs/dbraw/zinc/14/63/43/577146343.db2.gz QEYHVXAWLSHCQK-LPHOPBHVSA-N 2 2 341.455 2.116 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000732076004 577146347 /nfs/dbraw/zinc/14/63/47/577146347.db2.gz QEYHVXAWLSHCQK-LPHOPBHVSA-N 2 2 341.455 2.116 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCC=C)c2ccccc2)CC1 ZINC000775463168 577437643 /nfs/dbraw/zinc/43/76/43/577437643.db2.gz IXIVETQCQYUTLH-LJQANCHMSA-N 2 2 325.456 2.061 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)CC)CC1 ZINC000748810153 577967040 /nfs/dbraw/zinc/96/70/40/577967040.db2.gz QWEDTEKXBNYULR-SFHVURJKSA-N 2 2 327.472 2.065 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)CC)CC1 ZINC000748810153 577967041 /nfs/dbraw/zinc/96/70/41/577967041.db2.gz QWEDTEKXBNYULR-SFHVURJKSA-N 2 2 327.472 2.065 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970001235 675374951 /nfs/dbraw/zinc/37/49/51/675374951.db2.gz PCXVCOPVKDHOCR-ZFWWWQNUSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970001235 675374952 /nfs/dbraw/zinc/37/49/52/675374952.db2.gz PCXVCOPVKDHOCR-ZFWWWQNUSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001023697794 679487499 /nfs/dbraw/zinc/48/74/99/679487499.db2.gz HHAFWLJEEPXSGS-MRXNPFEDSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001023697794 679487501 /nfs/dbraw/zinc/48/75/01/679487501.db2.gz HHAFWLJEEPXSGS-MRXNPFEDSA-N 2 2 339.443 2.285 20 30 EEEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924881326 681686930 /nfs/dbraw/zinc/68/69/30/681686930.db2.gz XBURVYMVLNXQST-MRXNPFEDSA-N 2 2 343.475 2.038 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293031 682403014 /nfs/dbraw/zinc/40/30/14/682403014.db2.gz OYBAWELCSOPNCL-ROUUACIJSA-N 2 2 328.460 2.129 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293031 682403015 /nfs/dbraw/zinc/40/30/15/682403015.db2.gz OYBAWELCSOPNCL-ROUUACIJSA-N 2 2 328.460 2.129 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296848 682410769 /nfs/dbraw/zinc/41/07/69/682410769.db2.gz LSSVSVUQMGHFEF-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296848 682410772 /nfs/dbraw/zinc/41/07/72/682410772.db2.gz LSSVSVUQMGHFEF-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028927945 682495019 /nfs/dbraw/zinc/49/50/19/682495019.db2.gz ZWBCQBPSDIVHNB-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028927945 682495021 /nfs/dbraw/zinc/49/50/21/682495021.db2.gz ZWBCQBPSDIVHNB-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001026321326 684263352 /nfs/dbraw/zinc/26/33/52/684263352.db2.gz PDDSGVVHGKCHOX-QXAKKESOSA-N 2 2 336.439 2.499 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943950144 1192707050 /nfs/dbraw/zinc/70/70/50/1192707050.db2.gz PCZXRYPYNCYCST-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943950144 1192707052 /nfs/dbraw/zinc/70/70/52/1192707052.db2.gz PCZXRYPYNCYCST-RDJZCZTQSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001088429324 1186866180 /nfs/dbraw/zinc/86/61/80/1186866180.db2.gz OHKDZUNMUHYVMC-OALUTQOASA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770472 1188489905 /nfs/dbraw/zinc/48/99/05/1188489905.db2.gz PZHQYYSSDLSPOO-KBMXLJTQSA-N 2 2 325.884 2.192 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770472 1188489908 /nfs/dbraw/zinc/48/99/08/1188489908.db2.gz PZHQYYSSDLSPOO-KBMXLJTQSA-N 2 2 325.884 2.192 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168367115 1189098244 /nfs/dbraw/zinc/09/82/44/1189098244.db2.gz SHLFCASRUBRHSZ-QGZVFWFLSA-N 2 2 330.476 2.137 20 30 EEEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537706 1189152883 /nfs/dbraw/zinc/15/28/83/1189152883.db2.gz UTPISCLXMNKVQX-AOIWGVFYSA-N 2 2 328.460 2.076 20 30 EEEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001034646999 1196467847 /nfs/dbraw/zinc/46/78/47/1196467847.db2.gz FIIYYKNKJGLZIQ-BRSBDYLESA-N 2 2 342.487 2.357 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227275 1199409029 /nfs/dbraw/zinc/40/90/29/1199409029.db2.gz DPEFEJMKXQKKCL-HUUCEWRRSA-N 2 2 339.443 2.287 20 30 EEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[C@@H]1C ZINC001133237530 1200648230 /nfs/dbraw/zinc/64/82/30/1200648230.db2.gz FPDWEFQTSDGOMT-HOTGVXAUSA-N 2 2 339.443 2.141 20 30 EEEDLP Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NCC[NH+]1CCCCC1 ZINC000794895703 1201427437 /nfs/dbraw/zinc/42/74/37/1201427437.db2.gz HPMHMJFZXFRDLM-UHFFFAOYSA-N 2 2 326.448 2.172 20 30 EEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1F ZINC001275360146 1205320016 /nfs/dbraw/zinc/32/00/16/1205320016.db2.gz YZSSIAKCENYVPO-AYHJJNSGSA-N 2 2 330.451 2.344 20 30 EEEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1F ZINC001275360146 1205320018 /nfs/dbraw/zinc/32/00/18/1205320018.db2.gz YZSSIAKCENYVPO-AYHJJNSGSA-N 2 2 330.451 2.344 20 30 EEEDLP O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001015289607 1225043935 /nfs/dbraw/zinc/04/39/35/1225043935.db2.gz JJYMJQYJYBNVQV-IBGZPJMESA-N 2 2 344.418 2.190 20 30 EEEDLP O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001015289607 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CQZPMKRNQBORME-QZTJIDSGSA-N 2 2 330.476 2.410 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961261369 1217116123 /nfs/dbraw/zinc/11/61/23/1217116123.db2.gz LEAQOMAIBNZVIR-DLBZAZTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961261369 1217116124 /nfs/dbraw/zinc/11/61/24/1217116124.db2.gz LEAQOMAIBNZVIR-DLBZAZTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337919 1217532520 /nfs/dbraw/zinc/53/25/20/1217532520.db2.gz SCNQGTVUGJCXEN-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337919 1217532524 /nfs/dbraw/zinc/53/25/24/1217532524.db2.gz SCNQGTVUGJCXEN-SJORKVTESA-N 2 2 330.476 2.242 20 30 EEEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968654663 1221467429 /nfs/dbraw/zinc/46/74/29/1221467429.db2.gz DHFDUPBQMZQDBY-YOEHRIQHSA-N 2 2 346.500 2.042 20 30 EEEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968654663 1221467430 /nfs/dbraw/zinc/46/74/30/1221467430.db2.gz DHFDUPBQMZQDBY-YOEHRIQHSA-N 2 2 346.500 2.042 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008280372 1222733956 /nfs/dbraw/zinc/73/39/56/1222733956.db2.gz SUIDQWUVBZTNDN-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008280372 1222733960 /nfs/dbraw/zinc/73/39/60/1222733960.db2.gz SUIDQWUVBZTNDN-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008280372 1222733966 /nfs/dbraw/zinc/73/39/66/1222733966.db2.gz SUIDQWUVBZTNDN-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008280372 1222733953 /nfs/dbraw/zinc/73/39/53/1222733953.db2.gz SUIDQWUVBZTNDN-HOTGVXAUSA-N 2 2 327.900 2.442 20 30 EEEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001008535565 1222913853 /nfs/dbraw/zinc/91/38/53/1222913853.db2.gz TVINSCRUDOVTGO-CABCVRRESA-N 2 2 346.500 2.042 20 30 EEEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001008535565 1222913855 /nfs/dbraw/zinc/91/38/55/1222913855.db2.gz TVINSCRUDOVTGO-CABCVRRESA-N 2 2 346.500 2.042 20 30 EEEDLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001008535565 1222913858 /nfs/dbraw/zinc/91/38/58/1222913858.db2.gz TVINSCRUDOVTGO-CABCVRRESA-N 2 2 346.500 2.042 20 30 EEEDLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001008535565 1222913860 /nfs/dbraw/zinc/91/38/60/1222913860.db2.gz TVINSCRUDOVTGO-CABCVRRESA-N 2 2 346.500 2.042 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001009074072 1223133258 /nfs/dbraw/zinc/13/32/58/1223133258.db2.gz PQHYBPMCWLLHHW-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001009074072 1223133259 /nfs/dbraw/zinc/13/32/59/1223133259.db2.gz PQHYBPMCWLLHHW-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001016694564 1226788083 /nfs/dbraw/zinc/78/80/83/1226788083.db2.gz FMYRXGRCGJEEMX-GDBMZVCRSA-N 2 2 348.878 2.169 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001038922285 1230166014 /nfs/dbraw/zinc/16/60/14/1230166014.db2.gz WMFRIOHNGAUEBI-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001038922285 1230166018 /nfs/dbraw/zinc/16/60/18/1230166018.db2.gz WMFRIOHNGAUEBI-MRXNPFEDSA-N 2 2 325.416 2.038 20 30 EEEDLP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039162682 1230383966 /nfs/dbraw/zinc/38/39/66/1230383966.db2.gz YMYWTEVLBAYFOE-FUHWJXTLSA-N 2 2 328.460 2.028 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039162682 1230383967 /nfs/dbraw/zinc/38/39/67/1230383967.db2.gz YMYWTEVLBAYFOE-FUHWJXTLSA-N 2 2 328.460 2.028 20 30 EEEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001045617762 1233861985 /nfs/dbraw/zinc/86/19/85/1233861985.db2.gz CHWKSLQUIFONIB-UHFFFAOYSA-N 2 2 339.443 2.428 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969469 1234251951 /nfs/dbraw/zinc/25/19/51/1234251951.db2.gz QXVHHTLTOCKGCV-PKOBYXMFSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969469 1234251955 /nfs/dbraw/zinc/25/19/55/1234251955.db2.gz QXVHHTLTOCKGCV-PKOBYXMFSA-N 2 2 328.460 2.172 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045980180 1234270544 /nfs/dbraw/zinc/27/05/44/1234270544.db2.gz SHIWAGZQEXGHSW-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045980180 1234270548 /nfs/dbraw/zinc/27/05/48/1234270548.db2.gz SHIWAGZQEXGHSW-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001047242961 1235731222 /nfs/dbraw/zinc/73/12/22/1235731222.db2.gz IHLGXFUCTMVWMP-QGZVFWFLSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001047242961 1235731230 /nfs/dbraw/zinc/73/12/30/1235731230.db2.gz IHLGXFUCTMVWMP-QGZVFWFLSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049628305 1241695102 /nfs/dbraw/zinc/69/51/02/1241695102.db2.gz XCBNZWKKPIYBOZ-MOPGFXCFSA-N 2 2 334.423 2.184 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049628305 1241695110 /nfs/dbraw/zinc/69/51/10/1241695110.db2.gz XCBNZWKKPIYBOZ-MOPGFXCFSA-N 2 2 334.423 2.184 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052862448 1245405427 /nfs/dbraw/zinc/40/54/27/1245405427.db2.gz PSIUTUZRMLNWIT-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052862448 1245405432 /nfs/dbraw/zinc/40/54/32/1245405432.db2.gz PSIUTUZRMLNWIT-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022361 1245694038 /nfs/dbraw/zinc/69/40/38/1245694038.db2.gz CVSWTXPXUOQLDP-QZTJIDSGSA-N 2 2 342.487 2.316 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022361 1245694046 /nfs/dbraw/zinc/69/40/46/1245694046.db2.gz CVSWTXPXUOQLDP-QZTJIDSGSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036133 1245733443 /nfs/dbraw/zinc/73/34/43/1245733443.db2.gz HGNVRAXSPOPDOR-RBUKOAKNSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036133 1245733450 /nfs/dbraw/zinc/73/34/50/1245733450.db2.gz HGNVRAXSPOPDOR-RBUKOAKNSA-N 2 2 342.487 2.247 20 30 EEEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001054044937 1247217151 /nfs/dbraw/zinc/21/71/51/1247217151.db2.gz HVLBKCFEJSPTCR-MOPGFXCFSA-N 2 2 327.472 2.200 20 30 EEEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001054044937 1247217157 /nfs/dbraw/zinc/21/71/57/1247217157.db2.gz HVLBKCFEJSPTCR-MOPGFXCFSA-N 2 2 327.472 2.200 20 30 EEEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054044937 1247217169 /nfs/dbraw/zinc/21/71/69/1247217169.db2.gz HVLBKCFEJSPTCR-MOPGFXCFSA-N 2 2 327.472 2.200 20 30 EEEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054044937 1247217180 /nfs/dbraw/zinc/21/71/80/1247217180.db2.gz HVLBKCFEJSPTCR-MOPGFXCFSA-N 2 2 327.472 2.200 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001054155175 1247547849 /nfs/dbraw/zinc/54/78/49/1247547849.db2.gz LFLAOKBDSNMKDD-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001054155175 1247547858 /nfs/dbraw/zinc/54/78/58/1247547858.db2.gz LFLAOKBDSNMKDD-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233237 1247799393 /nfs/dbraw/zinc/79/93/93/1247799393.db2.gz GBOJQHGNLLQDHT-KRWDZBQOSA-N 2 2 336.867 2.328 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233237 1247799404 /nfs/dbraw/zinc/79/94/04/1247799404.db2.gz GBOJQHGNLLQDHT-KRWDZBQOSA-N 2 2 336.867 2.328 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240733 1247833896 /nfs/dbraw/zinc/83/38/96/1247833896.db2.gz AEVSSIAPYRLOAA-KRWDZBQOSA-N 2 2 336.867 2.259 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240733 1247833907 /nfs/dbraw/zinc/83/39/07/1247833907.db2.gz AEVSSIAPYRLOAA-KRWDZBQOSA-N 2 2 336.867 2.259 20 30 EEEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071713107 1254554911 /nfs/dbraw/zinc/55/49/11/1254554911.db2.gz YOFXPTPKECGZPG-AEFFLSMTSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071713107 1254554918 /nfs/dbraw/zinc/55/49/18/1254554918.db2.gz YOFXPTPKECGZPG-AEFFLSMTSA-N 2 2 336.439 2.478 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001194118432 1282894232 /nfs/dbraw/zinc/89/42/32/1282894232.db2.gz GAZFWMWRBLDXOS-QZTJIDSGSA-N 2 2 342.443 2.084 20 30 EEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000852121926 1291999831 /nfs/dbraw/zinc/99/98/31/1291999831.db2.gz BHWRHOPBQMYRNZ-UHFFFAOYSA-N 2 2 331.460 2.161 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215385077 1296883925 /nfs/dbraw/zinc/88/39/25/1296883925.db2.gz KSULPBIXAYXYRJ-QRQLOZEOSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215385077 1296883949 /nfs/dbraw/zinc/88/39/49/1296883949.db2.gz KSULPBIXAYXYRJ-QRQLOZEOSA-N 2 2 349.519 2.033 20 30 EEEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001104194713 1303635983 /nfs/dbraw/zinc/63/59/83/1303635983.db2.gz UKIHDERZAGFWLW-CRAIPNDOSA-N 2 2 338.455 2.354 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352555 1305203100 /nfs/dbraw/zinc/20/31/00/1305203100.db2.gz BTZNSTNRBIZMAH-LJQANCHMSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001235352555 1305203108 /nfs/dbraw/zinc/20/31/08/1305203108.db2.gz BTZNSTNRBIZMAH-LJQANCHMSA-N 2 2 339.483 2.055 20 30 EEEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001246002022 1310207110 /nfs/dbraw/zinc/20/71/10/1310207110.db2.gz KZXLZVZUTIOVLZ-IAGOWNOFSA-N 2 2 328.497 2.229 20 30 EEEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246032145 1310216232 /nfs/dbraw/zinc/21/62/32/1310216232.db2.gz LFMCUVDHOGWATQ-IEBWSBKVSA-N 2 2 339.524 2.042 20 30 EEEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246032145 1310216234 /nfs/dbraw/zinc/21/62/34/1310216234.db2.gz LFMCUVDHOGWATQ-IEBWSBKVSA-N 2 2 339.524 2.042 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067144 1317440516 /nfs/dbraw/zinc/44/05/16/1317440516.db2.gz SYRFTLIPQKQQFP-ZIAGYGMSSA-N 2 2 348.329 2.308 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067144 1317440520 /nfs/dbraw/zinc/44/05/20/1317440520.db2.gz SYRFTLIPQKQQFP-ZIAGYGMSSA-N 2 2 348.329 2.308 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001253411786 1317846709 /nfs/dbraw/zinc/84/67/09/1317846709.db2.gz WSIIUMYYUYHPTE-ZDUSSCGKSA-N 2 2 329.366 2.416 20 30 EEEDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254658229 1318156419 /nfs/dbraw/zinc/15/64/19/1318156419.db2.gz HMWFWSWBRRQHBS-NUJGCVRESA-N 2 2 333.476 2.418 20 30 EEEDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254658229 1318156425 /nfs/dbraw/zinc/15/64/25/1318156425.db2.gz HMWFWSWBRRQHBS-NUJGCVRESA-N 2 2 333.476 2.418 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]Cc3ccccc3C#N)ccn12 ZINC001158062445 1318990537 /nfs/dbraw/zinc/99/05/37/1318990537.db2.gz XCAKIHHPYFCXPS-UHFFFAOYSA-N 2 2 347.422 2.424 20 30 EEEDLP C=CCOCC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138307 1321663138 /nfs/dbraw/zinc/66/31/38/1321663138.db2.gz JPBGOAUBYJSSEC-UHFFFAOYSA-N 2 2 342.443 2.027 20 30 EEEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205552997 1323190059 /nfs/dbraw/zinc/19/00/59/1323190059.db2.gz NVCKPSJWCWMPDM-KRWDZBQOSA-N 2 2 330.476 2.240 20 30 EEEDLP C[C@H]1C(=NNCCC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000814923617 1367778567 /nfs/dbraw/zinc/77/85/67/1367778567.db2.gz LOANRRHRWSXZDY-SFHVURJKSA-N 2 2 344.503 2.339 20 30 EEEDLP C[C@H]1C(=NNCCC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814923617 1367778576 /nfs/dbraw/zinc/77/85/76/1367778576.db2.gz LOANRRHRWSXZDY-SFHVURJKSA-N 2 2 344.503 2.339 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCC2(C)OCCO2)cc1 ZINC000853673098 1369366846 /nfs/dbraw/zinc/36/68/46/1369366846.db2.gz AHQYBWOFJHBLBA-UHFFFAOYSA-N 2 2 335.448 2.318 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643773 1371044564 /nfs/dbraw/zinc/04/45/64/1371044564.db2.gz PYPQWTBATYDYPD-BRWVUGGUSA-N 2 2 332.492 2.392 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643773 1371044572 /nfs/dbraw/zinc/04/45/72/1371044572.db2.gz PYPQWTBATYDYPD-BRWVUGGUSA-N 2 2 332.492 2.392 20 30 EEEDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)CC1 ZINC001140601686 1372613665 /nfs/dbraw/zinc/61/36/65/1372613665.db2.gz YMUPFHLGGJLDGO-UHFFFAOYSA-N 2 2 332.879 2.423 20 30 EEEDLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001401334121 1397167584 /nfs/dbraw/zinc/16/75/84/1397167584.db2.gz HUJUNXQVWMVLTN-GOSISDBHSA-N 2 2 339.443 2.075 20 30 EEEDLP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755087009 1407100137 /nfs/dbraw/zinc/10/01/37/1407100137.db2.gz ZHHSMRQKUONJGT-IBGZPJMESA-N 2 2 342.443 2.086 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000402 782744135 /nfs/dbraw/zinc/74/41/35/782744135.db2.gz DOSGEVWAGAVSPM-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000402 782744145 /nfs/dbraw/zinc/74/41/45/782744145.db2.gz DOSGEVWAGAVSPM-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088000402 782744154 /nfs/dbraw/zinc/74/41/54/782744154.db2.gz DOSGEVWAGAVSPM-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088000402 782744161 /nfs/dbraw/zinc/74/41/61/782744161.db2.gz DOSGEVWAGAVSPM-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088019127 782775715 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/nfs/dbraw/zinc/89/27/54/782892754.db2.gz DVPRJDSQCNSVPP-QGZVFWFLSA-N 2 2 330.476 2.263 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC000980000881 773692868 /nfs/dbraw/zinc/69/28/68/773692868.db2.gz MXCKWCLTLZAHHF-RYQLBKOJSA-N 2 2 343.471 2.426 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC000980000881 773692871 /nfs/dbraw/zinc/69/28/71/773692871.db2.gz MXCKWCLTLZAHHF-RYQLBKOJSA-N 2 2 343.471 2.426 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980138540 773927619 /nfs/dbraw/zinc/92/76/19/773927619.db2.gz AXIUWIYBHZLUAS-BBWFWOEESA-N 2 2 336.439 2.188 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980138540 773927628 /nfs/dbraw/zinc/92/76/28/773927628.db2.gz AXIUWIYBHZLUAS-BBWFWOEESA-N 2 2 336.439 2.188 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089660840 774047592 /nfs/dbraw/zinc/04/75/92/774047592.db2.gz QGVYSXHODGFWSM-JKSUJKDBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980213319 774103245 /nfs/dbraw/zinc/10/32/45/774103245.db2.gz GPKNURPLUCISRY-KKUMJFAQSA-N 2 2 336.867 2.230 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980213319 774103251 /nfs/dbraw/zinc/10/32/51/774103251.db2.gz GPKNURPLUCISRY-KKUMJFAQSA-N 2 2 336.867 2.230 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971912 775448585 /nfs/dbraw/zinc/44/85/85/775448585.db2.gz NKDMMXLIUVPGGI-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971912 775448596 /nfs/dbraw/zinc/44/85/96/775448596.db2.gz NKDMMXLIUVPGGI-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001027971912 775448601 /nfs/dbraw/zinc/44/86/01/775448601.db2.gz NKDMMXLIUVPGGI-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001027971912 775448608 /nfs/dbraw/zinc/44/86/08/775448608.db2.gz NKDMMXLIUVPGGI-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP CC(C)[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000981898832 778499856 /nfs/dbraw/zinc/49/98/56/778499856.db2.gz RWQPEFKFKNTVHK-QGZVFWFLSA-N 2 2 348.516 2.240 20 30 EEEDLP CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[NH+](C)C ZINC000981898832 778499861 /nfs/dbraw/zinc/49/98/61/778499861.db2.gz RWQPEFKFKNTVHK-QGZVFWFLSA-N 2 2 348.516 2.240 20 30 EEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993747 781715511 /nfs/dbraw/zinc/71/55/11/781715511.db2.gz WCXOHLUQAHKJIB-MSOLQXFVSA-N 2 2 347.890 2.132 20 30 EEEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993747 781715515 /nfs/dbraw/zinc/71/55/15/781715515.db2.gz WCXOHLUQAHKJIB-MSOLQXFVSA-N 2 2 347.890 2.132 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001136032017 785013861 /nfs/dbraw/zinc/01/38/61/785013861.db2.gz UTAZAQDORBBKBJ-JKSUJKDBSA-N 2 2 338.455 2.185 20 30 EEEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC001035825993 785188816 /nfs/dbraw/zinc/18/88/16/785188816.db2.gz JCEOVWOCIIMTNA-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610230 787899072 /nfs/dbraw/zinc/89/90/72/787899072.db2.gz UDYHPWXTCDTVND-IEBWSBKVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610230 787899085 /nfs/dbraw/zinc/89/90/85/787899085.db2.gz UDYHPWXTCDTVND-IEBWSBKVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875078 789135432 /nfs/dbraw/zinc/13/54/32/789135432.db2.gz DRUPNJGYPWYTPP-CALCHBBNSA-N 2 2 330.476 2.397 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875078 789135435 /nfs/dbraw/zinc/13/54/35/789135435.db2.gz DRUPNJGYPWYTPP-CALCHBBNSA-N 2 2 330.476 2.397 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001107954367 789805038 /nfs/dbraw/zinc/80/50/38/789805038.db2.gz PDWGNFHDTOPKEW-VQIMIIECSA-N 2 2 348.491 2.180 20 30 EEEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001107954367 789805040 /nfs/dbraw/zinc/80/50/40/789805040.db2.gz PDWGNFHDTOPKEW-VQIMIIECSA-N 2 2 348.491 2.180 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052309 791895063 /nfs/dbraw/zinc/89/50/63/791895063.db2.gz PYXNRHPDUFTYQS-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052309 791895066 /nfs/dbraw/zinc/89/50/66/791895066.db2.gz PYXNRHPDUFTYQS-ZWKOTPCHSA-N 2 2 342.487 2.172 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999008442 793666557 /nfs/dbraw/zinc/66/65/57/793666557.db2.gz XLJODCXJGNCKGU-IYXRBSQSSA-N 2 2 336.867 2.155 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999008442 793666562 /nfs/dbraw/zinc/66/65/62/793666562.db2.gz XLJODCXJGNCKGU-IYXRBSQSSA-N 2 2 336.867 2.155 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343050 795423704 /nfs/dbraw/zinc/42/37/04/795423704.db2.gz NVZAXKFZAFMGLF-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001093599032 795439584 /nfs/dbraw/zinc/43/95/84/795439584.db2.gz NYNJSBVDIRQAMF-UHFFFAOYSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000856276 796276617 /nfs/dbraw/zinc/27/66/17/796276617.db2.gz VRIMPEIUGQUTGV-KRWDZBQOSA-N 2 2 328.460 2.160 20 30 EEEDLP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000856276 796276620 /nfs/dbraw/zinc/27/66/20/796276620.db2.gz VRIMPEIUGQUTGV-KRWDZBQOSA-N 2 2 328.460 2.160 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001081219879 796677814 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OXJNKFHRQRIDRT-APWZRJJASA-N 2 2 340.471 2.123 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175504058 798138089 /nfs/dbraw/zinc/13/80/89/798138089.db2.gz XMZYERLHSPXAJY-IAGOWNOFSA-N 2 2 336.480 2.301 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001032827213 798455044 /nfs/dbraw/zinc/45/50/44/798455044.db2.gz ADQHRPYOSSSFND-BXWFABGCSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001032827213 798455048 /nfs/dbraw/zinc/45/50/48/798455048.db2.gz ADQHRPYOSSSFND-BXWFABGCSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001032827213 798455052 /nfs/dbraw/zinc/45/50/52/798455052.db2.gz ADQHRPYOSSSFND-BXWFABGCSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001032827213 798455055 /nfs/dbraw/zinc/45/50/55/798455055.db2.gz ADQHRPYOSSSFND-BXWFABGCSA-N 2 2 343.446 2.175 20 30 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EEEDLP C#CCC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001180047233 800219703 /nfs/dbraw/zinc/21/97/03/800219703.db2.gz OIYORAAKWBZMME-UHFFFAOYSA-N 2 2 339.443 2.170 20 30 EEEDLP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767962 801343404 /nfs/dbraw/zinc/34/34/04/801343404.db2.gz TULYQBVWSKQWHI-ZIFCJYIRSA-N 2 2 348.491 2.111 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001183164820 801511235 /nfs/dbraw/zinc/51/12/35/801511235.db2.gz ALJJLHADHVLJRL-GPMSIDNRSA-N 2 2 332.492 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086623685 810913038 /nfs/dbraw/zinc/91/30/38/810913038.db2.gz RKOCMOBFHVHZCU-OKZBNKHCSA-N 2 2 347.890 2.275 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086623685 810913039 /nfs/dbraw/zinc/91/30/39/810913039.db2.gz RKOCMOBFHVHZCU-OKZBNKHCSA-N 2 2 347.890 2.275 20 30 EEEDLP 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ZINC000329580203 465377813 /nfs/dbraw/zinc/37/78/13/465377813.db2.gz WUIXIZHMSXMHFW-AEFFLSMTSA-N 2 2 339.443 2.312 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000360972577 465675242 /nfs/dbraw/zinc/67/52/42/465675242.db2.gz BQCUUEWFALYPEY-UHFFFAOYSA-N 3 2 337.508 2.034 20 30 EEEDLP Cc1cc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425212240 467088800 /nfs/dbraw/zinc/08/88/00/467088800.db2.gz ZJSLILIMMUPCPY-KRWDZBQOSA-N 2 2 335.455 2.306 20 30 EEEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566120724 468144610 /nfs/dbraw/zinc/14/46/10/468144610.db2.gz PHUDZIKYFNDTRK-LFGUQSLTSA-N 2 2 332.488 2.234 20 30 EEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000589984858 468200926 /nfs/dbraw/zinc/20/09/26/468200926.db2.gz AZQBQVIJOGBJCD-KRWDZBQOSA-N 2 2 330.451 2.298 20 30 EEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000589984858 468200931 /nfs/dbraw/zinc/20/09/31/468200931.db2.gz AZQBQVIJOGBJCD-KRWDZBQOSA-N 2 2 330.451 2.298 20 30 EEEDLP CN(c1nc(C#N)c(Cl)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596126454 469168269 /nfs/dbraw/zinc/16/82/69/469168269.db2.gz STHYLNJHPGVOJM-LBPRGKRZSA-N 2 2 339.896 2.273 20 30 EEEDLP CN(c1nc(C#N)c(Cl)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596126454 469168272 /nfs/dbraw/zinc/16/82/72/469168272.db2.gz STHYLNJHPGVOJM-LBPRGKRZSA-N 2 2 339.896 2.273 20 30 EEEDLP C=C[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C(=O)OC ZINC000619700710 469666493 /nfs/dbraw/zinc/66/64/93/469666493.db2.gz ISUCRSCVOXPFMR-GOSISDBHSA-N 2 2 332.444 2.224 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610133056 469983653 /nfs/dbraw/zinc/98/36/53/469983653.db2.gz DDDYYZSPULCUSY-MRXNPFEDSA-N 2 2 326.400 2.479 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610133056 469983659 /nfs/dbraw/zinc/98/36/59/469983659.db2.gz DDDYYZSPULCUSY-MRXNPFEDSA-N 2 2 326.400 2.479 20 30 EEEDLP C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382777 471735220 /nfs/dbraw/zinc/73/52/20/471735220.db2.gz XMLGZIHAKXRRGU-QZTJIDSGSA-N 2 2 342.487 2.407 20 30 EEEDLP C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661382777 471735224 /nfs/dbraw/zinc/73/52/24/471735224.db2.gz XMLGZIHAKXRRGU-QZTJIDSGSA-N 2 2 342.487 2.407 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000730096834 576714607 /nfs/dbraw/zinc/71/46/07/576714607.db2.gz ZCRRSKYJGPCNCY-OALUTQOASA-N 2 2 325.456 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000730096834 576714609 /nfs/dbraw/zinc/71/46/09/576714609.db2.gz ZCRRSKYJGPCNCY-OALUTQOASA-N 2 2 325.456 2.037 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000732277739 577163948 /nfs/dbraw/zinc/16/39/48/577163948.db2.gz NXZZEVPLRSWCAI-QGZVFWFLSA-N 2 2 333.863 2.110 20 30 EEEDLP COc1ccc(C#N)cc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000770695872 577601980 /nfs/dbraw/zinc/60/19/80/577601980.db2.gz AHXXFBWIPPXDNQ-UHFFFAOYSA-N 2 2 338.411 2.466 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2noc3c2CCCC3)cc1 ZINC000747838466 577951200 /nfs/dbraw/zinc/95/12/00/577951200.db2.gz CSHOWLMGYZNJOB-UHFFFAOYSA-N 2 2 328.416 2.452 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000969716899 675173407 /nfs/dbraw/zinc/17/34/07/675173407.db2.gz KUCWPVUIXUYJDI-RDTXWAMCSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000969716899 675173408 /nfs/dbraw/zinc/17/34/08/675173408.db2.gz KUCWPVUIXUYJDI-RDTXWAMCSA-N 2 2 345.491 2.193 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634315 676288890 /nfs/dbraw/zinc/28/88/90/676288890.db2.gz YFRHIZPDKIIQLA-IRXDYDNUSA-N 2 2 336.439 2.284 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634315 676288891 /nfs/dbraw/zinc/28/88/91/676288891.db2.gz YFRHIZPDKIIQLA-IRXDYDNUSA-N 2 2 336.439 2.284 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(CC)CC ZINC001024486647 679967212 /nfs/dbraw/zinc/96/72/12/679967212.db2.gz DWKJDDJKDJUAQC-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(CC)CC ZINC001024486647 679967218 /nfs/dbraw/zinc/96/72/18/679967218.db2.gz DWKJDDJKDJUAQC-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(CC)CC ZINC001024486647 679967223 /nfs/dbraw/zinc/96/72/23/679967223.db2.gz DWKJDDJKDJUAQC-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(CC)CC ZINC001024486647 679967220 /nfs/dbraw/zinc/96/72/20/679967220.db2.gz DWKJDDJKDJUAQC-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262016629 682850734 /nfs/dbraw/zinc/85/07/34/682850734.db2.gz XXBGOYQWXJUIQV-SIRPWMCASA-N 2 2 345.491 2.155 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000992871797 683610890 /nfs/dbraw/zinc/61/08/90/683610890.db2.gz LDTSRUBDPOBZTM-KBAYOESNSA-N 2 2 330.476 2.146 20 30 EEEDLP C=C(C)C[NH+]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000974598901 685114202 /nfs/dbraw/zinc/11/42/02/685114202.db2.gz KRIRMIGYLIMWJJ-SJORKVTESA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000974598901 685114209 /nfs/dbraw/zinc/11/42/09/685114209.db2.gz KRIRMIGYLIMWJJ-SJORKVTESA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000974598901 685114213 /nfs/dbraw/zinc/11/42/13/685114213.db2.gz KRIRMIGYLIMWJJ-SJORKVTESA-N 2 2 345.491 2.193 20 30 EEEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])NCCc2ccccc2)C[C@H](C)O1 ZINC000303775392 686899142 /nfs/dbraw/zinc/89/91/42/686899142.db2.gz GUYVBVIRDOXBNX-HOTGVXAUSA-N 2 2 332.492 2.021 20 30 EEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988743449 691137914 /nfs/dbraw/zinc/13/79/14/691137914.db2.gz MQEIOBCFOLNCNS-CHWSQXEVSA-N 2 2 343.456 2.055 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089889043 1192844682 /nfs/dbraw/zinc/84/46/82/1192844682.db2.gz KAKGCSYHWOFDKT-YVSFHVDLSA-N 2 2 342.487 2.432 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001089889043 1192844685 /nfs/dbraw/zinc/84/46/85/1192844685.db2.gz KAKGCSYHWOFDKT-YVSFHVDLSA-N 2 2 342.487 2.432 20 30 EEEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570512 1188183799 /nfs/dbraw/zinc/18/37/99/1188183799.db2.gz SZWUBHFYMAJNMC-MRXNPFEDSA-N 2 2 328.460 2.117 20 30 EEEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105575270 1188189699 /nfs/dbraw/zinc/18/96/99/1188189699.db2.gz WWFJHMGNMBWXIP-QGZVFWFLSA-N 2 2 330.476 2.290 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000947766959 1190611173 /nfs/dbraw/zinc/61/11/73/1190611173.db2.gz KNRLUWDWFWAGPA-ZWKOTPCHSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000947766959 1190611174 /nfs/dbraw/zinc/61/11/74/1190611174.db2.gz KNRLUWDWFWAGPA-ZWKOTPCHSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005425477 1195415701 /nfs/dbraw/zinc/41/57/01/1195415701.db2.gz QDJKMIXGVFKRDA-UHFFFAOYSA-N 2 2 330.476 2.261 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034248809 1195982907 /nfs/dbraw/zinc/98/29/07/1195982907.db2.gz BUOQRIPIWDKNFH-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034248809 1195982908 /nfs/dbraw/zinc/98/29/08/1195982908.db2.gz BUOQRIPIWDKNFH-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034248809 1195982911 /nfs/dbraw/zinc/98/29/11/1195982911.db2.gz BUOQRIPIWDKNFH-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034248809 1195982913 /nfs/dbraw/zinc/98/29/13/1195982913.db2.gz BUOQRIPIWDKNFH-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291204 1196055934 /nfs/dbraw/zinc/05/59/34/1196055934.db2.gz RIUHQIKQLXPXQU-HNNXBMFYSA-N 2 2 325.884 2.338 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291204 1196055938 /nfs/dbraw/zinc/05/59/38/1196055938.db2.gz RIUHQIKQLXPXQU-HNNXBMFYSA-N 2 2 325.884 2.338 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034701028 1196586452 /nfs/dbraw/zinc/58/64/52/1196586452.db2.gz NDSWSKFIHPJEJI-FHWLQOOXSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034701028 1196586455 /nfs/dbraw/zinc/58/64/55/1196586455.db2.gz NDSWSKFIHPJEJI-FHWLQOOXSA-N 2 2 349.519 2.080 20 30 EEEDLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000877294485 1199897469 /nfs/dbraw/zinc/89/74/69/1199897469.db2.gz HGPXVQSTNHQPFW-ROUUACIJSA-N 2 2 346.450 2.442 20 30 EEEDLP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001133426942 1200899610 /nfs/dbraw/zinc/89/96/10/1200899610.db2.gz CXCGCTZQOWQMIU-UHFFFAOYSA-N 2 2 344.846 2.178 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880566773 1201524542 /nfs/dbraw/zinc/52/45/42/1201524542.db2.gz APTWGLQGXNWPIK-IEBWSBKVSA-N 2 2 339.443 2.268 20 30 EEEDLP Cn1cc(C[N@@H+]2CCC23CN(CCC[NH+]2CCCCC2)C3)cc1C#N ZINC001276048531 1205751349 /nfs/dbraw/zinc/75/13/49/1205751349.db2.gz GZGVAOSPANCUCE-UHFFFAOYSA-N 2 2 341.503 2.033 20 30 EEEDLP Cn1cc(C[N@H+]2CCC23CN(CCC[NH+]2CCCCC2)C3)cc1C#N ZINC001276048531 1205751351 /nfs/dbraw/zinc/75/13/51/1205751351.db2.gz GZGVAOSPANCUCE-UHFFFAOYSA-N 2 2 341.503 2.033 20 30 EEEDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)CC1 ZINC000931549550 1207410367 /nfs/dbraw/zinc/41/03/67/1207410367.db2.gz PZZAATPTORDSIT-UHFFFAOYSA-N 2 2 332.879 2.423 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878962 1208757612 /nfs/dbraw/zinc/75/76/12/1208757612.db2.gz UNHFGJOBNLPMQR-SJLPKXTDSA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878962 1208757614 /nfs/dbraw/zinc/75/76/14/1208757614.db2.gz UNHFGJOBNLPMQR-SJLPKXTDSA-N 2 2 336.439 2.478 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618794 1215262988 /nfs/dbraw/zinc/26/29/88/1215262988.db2.gz HPKWSWSTWPFOBW-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618794 1215262990 /nfs/dbraw/zinc/26/29/90/1215262990.db2.gz HPKWSWSTWPFOBW-INIZCTEOSA-N 2 2 330.476 2.479 20 30 EEEDLP 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IHKZRJYRGJTSRQ-UHFFFAOYSA-N 2 2 343.456 2.056 20 30 EEEDLP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001752985966 1406590074 /nfs/dbraw/zinc/59/00/74/1406590074.db2.gz QMCHRXNWFDUNML-GOSISDBHSA-N 2 2 338.455 2.080 20 30 EEEDLP CC[C@@H](C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001400028334 1395829737 /nfs/dbraw/zinc/82/97/37/1395829737.db2.gz MXCVISQUSUTIFY-SFHVURJKSA-N 2 2 346.450 2.118 20 30 EEEDLP CC[C@@H](C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)[NH+](C)C ZINC001400028334 1395829742 /nfs/dbraw/zinc/82/97/42/1395829742.db2.gz MXCVISQUSUTIFY-SFHVURJKSA-N 2 2 346.450 2.118 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488500 769779844 /nfs/dbraw/zinc/77/98/44/769779844.db2.gz UVWVZOZFALIDBZ-JKSUJKDBSA-N 2 2 342.487 2.460 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488500 769779850 /nfs/dbraw/zinc/77/98/50/769779850.db2.gz UVWVZOZFALIDBZ-JKSUJKDBSA-N 2 2 342.487 2.460 20 30 EEEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527978 770237699 /nfs/dbraw/zinc/23/76/99/770237699.db2.gz GQKYTVLVPJFIIK-FTRWYGJKSA-N 2 2 340.471 2.071 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC000979731538 770977579 /nfs/dbraw/zinc/97/75/79/770977579.db2.gz PWYYDLXBRZFVSC-GVDBMIGSSA-N 2 2 342.487 2.165 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC000979731538 770977586 /nfs/dbraw/zinc/97/75/86/770977586.db2.gz PWYYDLXBRZFVSC-GVDBMIGSSA-N 2 2 342.487 2.165 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773428 783099443 /nfs/dbraw/zinc/09/94/43/783099443.db2.gz QLKWGVGYRWZIDN-OWCLPIDISA-N 2 2 328.460 2.186 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773428 783099458 /nfs/dbraw/zinc/09/94/58/783099458.db2.gz QLKWGVGYRWZIDN-OWCLPIDISA-N 2 2 328.460 2.186 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC001027940378 774725656 /nfs/dbraw/zinc/72/56/56/774725656.db2.gz LROFKWQFYLBYPE-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC001027940378 774725658 /nfs/dbraw/zinc/72/56/58/774725658.db2.gz LROFKWQFYLBYPE-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(F)c1 ZINC001027940378 774725666 /nfs/dbraw/zinc/72/56/66/774725666.db2.gz LROFKWQFYLBYPE-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(F)c1 ZINC001027940378 774725674 /nfs/dbraw/zinc/72/56/74/774725674.db2.gz LROFKWQFYLBYPE-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964888 775257197 /nfs/dbraw/zinc/25/71/97/775257197.db2.gz POSPWCFZYHTTMO-HNNXBMFYSA-N 2 2 325.884 2.196 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964888 775257202 /nfs/dbraw/zinc/25/72/02/775257202.db2.gz POSPWCFZYHTTMO-HNNXBMFYSA-N 2 2 325.884 2.196 20 30 EEEDLP C=C(Br)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127679587 778715751 /nfs/dbraw/zinc/71/57/51/778715751.db2.gz MJLGMPPDOIWFPR-LBPRGKRZSA-N 2 2 343.269 2.011 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001131975774 783538393 /nfs/dbraw/zinc/53/83/93/783538393.db2.gz FBMQABOXDFHKFM-UHFFFAOYSA-N 2 2 345.406 2.264 20 30 EEEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589802 784062571 /nfs/dbraw/zinc/06/25/71/784062571.db2.gz SHAHGAFEXKGSSV-DLBZAZTESA-N 2 2 337.508 2.080 20 30 EEEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135915784 784770887 /nfs/dbraw/zinc/77/08/87/784770887.db2.gz BWNZNBNQLSVKBK-GJZGRUSLSA-N 2 2 327.432 2.330 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1(C)C ZINC000996373123 786326259 /nfs/dbraw/zinc/32/62/59/786326259.db2.gz CYYILIAUKYZASC-QGZVFWFLSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1(C)C ZINC000996688807 787140689 /nfs/dbraw/zinc/14/06/89/787140689.db2.gz HYDTUFHDMBIQIC-SJORKVTESA-N 2 2 330.476 2.087 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1(C)C ZINC000996688801 787140720 /nfs/dbraw/zinc/14/07/20/787140720.db2.gz HYDTUFHDMBIQIC-IRXDYDNUSA-N 2 2 330.476 2.087 20 30 EEEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297033 789588696 /nfs/dbraw/zinc/58/86/96/789588696.db2.gz FYPBHZNILOAETI-ZBFHGGJFSA-N 2 2 328.460 2.070 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086925606 793000277 /nfs/dbraw/zinc/00/02/77/793000277.db2.gz BOHMLSOUWBERFT-INIZCTEOSA-N 2 2 328.460 2.069 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086925606 793000286 /nfs/dbraw/zinc/00/02/86/793000286.db2.gz BOHMLSOUWBERFT-INIZCTEOSA-N 2 2 328.460 2.069 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092004165 793481898 /nfs/dbraw/zinc/48/18/98/793481898.db2.gz XUVUVRVCOHNIKJ-VCBZYWHSSA-N 2 2 328.460 2.186 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092004165 793481903 /nfs/dbraw/zinc/48/19/03/793481903.db2.gz XUVUVRVCOHNIKJ-VCBZYWHSSA-N 2 2 328.460 2.186 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106343137 795423697 /nfs/dbraw/zinc/42/36/97/795423697.db2.gz QWVVQNOBXBTLKW-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106343137 795423699 /nfs/dbraw/zinc/42/36/99/795423699.db2.gz QWVVQNOBXBTLKW-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468524 796241833 /nfs/dbraw/zinc/24/18/33/796241833.db2.gz RJUNXQRRKLKXME-YLJYHZDGSA-N 2 2 336.439 2.332 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468524 796241835 /nfs/dbraw/zinc/24/18/35/796241835.db2.gz RJUNXQRRKLKXME-YLJYHZDGSA-N 2 2 336.439 2.332 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094450714 796259262 /nfs/dbraw/zinc/25/92/62/796259262.db2.gz GUKSRXPJWFOJRI-XFQXTVEOSA-N 2 2 342.487 2.370 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094450714 796259268 /nfs/dbraw/zinc/25/92/68/796259268.db2.gz GUKSRXPJWFOJRI-XFQXTVEOSA-N 2 2 342.487 2.370 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094450714 796259273 /nfs/dbraw/zinc/25/92/73/796259273.db2.gz GUKSRXPJWFOJRI-XFQXTVEOSA-N 2 2 342.487 2.370 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094450714 796259278 /nfs/dbraw/zinc/25/92/78/796259278.db2.gz GUKSRXPJWFOJRI-XFQXTVEOSA-N 2 2 342.487 2.370 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001106762475 796475243 /nfs/dbraw/zinc/47/52/43/796475243.db2.gz HAUBQPODXKGCNO-HZPDHXFCSA-N 2 2 326.444 2.055 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486510 796592354 /nfs/dbraw/zinc/59/23/54/796592354.db2.gz LAQVTEHBGXQVIR-INIZCTEOSA-N 2 2 349.475 2.100 20 30 EEEDLP C[NH+]1C(C)(C)CC([NH+]2CCN(c3nccnc3C#N)CC2)CC1(C)C ZINC001171639798 796688840 /nfs/dbraw/zinc/68/88/40/796688840.db2.gz UKLXKTMDPWLHCN-UHFFFAOYSA-N 2 2 342.491 2.122 20 30 EEEDLP C=CCOC1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CC1 ZINC001173317928 797375936 /nfs/dbraw/zinc/37/59/36/797375936.db2.gz RALCRKUPDRBGPX-CKUJCDMFSA-N 2 2 339.480 2.036 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175704186 798216846 /nfs/dbraw/zinc/21/68/46/798216846.db2.gz RMFFRERCIVNTEX-KRWDZBQOSA-N 2 2 340.471 2.473 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001177413613 798931761 /nfs/dbraw/zinc/93/17/61/798931761.db2.gz XUKAALXEWMTYDV-KRWDZBQOSA-N 2 2 342.487 2.461 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001085285800 800318621 /nfs/dbraw/zinc/31/86/21/800318621.db2.gz HFKZDWYVVQQLNT-GUDVDZBRSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001085285800 800318628 /nfs/dbraw/zinc/31/86/28/800318628.db2.gz HFKZDWYVVQQLNT-GUDVDZBRSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184650934 802116232 /nfs/dbraw/zinc/11/62/32/802116232.db2.gz BFZZGMVJDTXOOC-HOTGVXAUSA-N 2 2 331.460 2.283 20 30 EEEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)cc(C(F)(F)F)c2C#N)CC1 ZINC001168736591 802186077 /nfs/dbraw/zinc/18/60/77/802186077.db2.gz OGEIMFLFFZYYCW-UHFFFAOYSA-N 2 2 346.744 2.220 20 30 EEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184851095 802199716 /nfs/dbraw/zinc/19/97/16/802199716.db2.gz JMZFWLUCZYAUPX-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCCCC1 ZINC001004566579 802383610 /nfs/dbraw/zinc/38/36/10/802383610.db2.gz FCZSRICTSBMYQF-IEBWSBKVSA-N 2 2 346.519 2.477 20 30 EEEDLP C[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCCCC1 ZINC001004566579 802383617 /nfs/dbraw/zinc/38/36/17/802383617.db2.gz FCZSRICTSBMYQF-IEBWSBKVSA-N 2 2 346.519 2.477 20 30 EEEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004567659 802385180 /nfs/dbraw/zinc/38/51/80/802385180.db2.gz KHJRKNIOACFTHA-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004567659 802385185 /nfs/dbraw/zinc/38/51/85/802385185.db2.gz KHJRKNIOACFTHA-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004567659 802385192 /nfs/dbraw/zinc/38/51/92/802385192.db2.gz KHJRKNIOACFTHA-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004567659 802385194 /nfs/dbraw/zinc/38/51/94/802385194.db2.gz KHJRKNIOACFTHA-RBUKOAKNSA-N 2 2 346.519 2.476 20 30 EEEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001108790758 804511411 /nfs/dbraw/zinc/51/14/11/804511411.db2.gz IDBVSLRMPCUFAM-HQRMLTQVSA-N 2 2 348.450 2.478 20 30 EEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130907931 533366820 /nfs/dbraw/zinc/36/68/20/533366820.db2.gz WEZUSEAOEURPTJ-KRWDZBQOSA-N 2 2 326.400 2.299 20 30 EEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130907931 533366822 /nfs/dbraw/zinc/36/68/22/533366822.db2.gz WEZUSEAOEURPTJ-KRWDZBQOSA-N 2 2 326.400 2.299 20 30 EEEDLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000120000377 159384139 /nfs/dbraw/zinc/38/41/39/159384139.db2.gz AWUKTCHRJDYWRG-UHFFFAOYSA-N 2 2 349.438 2.413 20 30 EEEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)cc1 ZINC000192242045 160168726 /nfs/dbraw/zinc/16/87/26/160168726.db2.gz MQESRCFVUBTYIP-GOSISDBHSA-N 2 2 345.406 2.097 20 30 EEEDLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000369196284 166209839 /nfs/dbraw/zinc/20/98/39/166209839.db2.gz FALFFXSWLOOAGL-LJQANCHMSA-N 2 2 340.471 2.107 20 30 EEEDLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000369196284 166209842 /nfs/dbraw/zinc/20/98/42/166209842.db2.gz FALFFXSWLOOAGL-LJQANCHMSA-N 2 2 340.471 2.107 20 30 EEEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1OC ZINC000274923155 269075847 /nfs/dbraw/zinc/07/58/47/269075847.db2.gz MSPDVGAKNMKBNL-VAMGGRTRSA-N 2 2 343.471 2.305 20 30 EEEDLP COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)cc1C#N ZINC000131545064 533706878 /nfs/dbraw/zinc/70/68/78/533706878.db2.gz HUJGVMSELJCBPV-UHFFFAOYSA-N 2 2 337.427 2.326 20 30 EEEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077250092 462960190 /nfs/dbraw/zinc/96/01/90/462960190.db2.gz NFVZKYNIDMEEKX-UHFFFAOYSA-N 2 2 328.460 2.349 20 30 EEEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077250092 462960192 /nfs/dbraw/zinc/96/01/92/462960192.db2.gz NFVZKYNIDMEEKX-UHFFFAOYSA-N 2 2 328.460 2.349 20 30 EEEDLP C[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540997 463038744 /nfs/dbraw/zinc/03/87/44/463038744.db2.gz IMFLOFADXDGQBH-IRXDYDNUSA-N 2 2 343.475 2.451 20 30 EEEDLP C[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540997 463038748 /nfs/dbraw/zinc/03/87/48/463038748.db2.gz IMFLOFADXDGQBH-IRXDYDNUSA-N 2 2 343.475 2.451 20 30 EEEDLP CCc1nnc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000136641589 463250384 /nfs/dbraw/zinc/25/03/84/463250384.db2.gz JQKLGXVZNLEMMT-UHFFFAOYSA-N 2 2 343.431 2.455 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000170914550 463740625 /nfs/dbraw/zinc/74/06/25/463740625.db2.gz OBTVNUZPPUBLQK-UHFFFAOYSA-N 2 2 327.432 2.387 20 30 EEEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000269134752 463886887 /nfs/dbraw/zinc/88/68/87/463886887.db2.gz QGGOTHYNYGLLME-UHFFFAOYSA-N 2 2 327.407 2.415 20 30 EEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990874 464439464 /nfs/dbraw/zinc/43/94/64/464439464.db2.gz ZDWKXVDTKHYXOS-KSSFIOAISA-N 2 2 346.450 2.291 20 30 EEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271990874 464439469 /nfs/dbraw/zinc/43/94/69/464439469.db2.gz ZDWKXVDTKHYXOS-KSSFIOAISA-N 2 2 346.450 2.291 20 30 EEEDLP CCC[NH+]1CCC(CNC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329891102 465464234 /nfs/dbraw/zinc/46/42/34/465464234.db2.gz HISGVHNRFAJCLC-MRXNPFEDSA-N 2 2 333.480 2.071 20 30 EEEDLP CCC[NH+]1CCC(C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329891102 465464235 /nfs/dbraw/zinc/46/42/35/465464235.db2.gz HISGVHNRFAJCLC-MRXNPFEDSA-N 2 2 333.480 2.071 20 30 EEEDLP C[C@H](CC[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000329908353 465469343 /nfs/dbraw/zinc/46/93/43/465469343.db2.gz UIEUPBBNECNGTM-HZPDHXFCSA-N 2 2 333.480 2.214 20 30 EEEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348325222 465551923 /nfs/dbraw/zinc/55/19/23/465551923.db2.gz QKPXIXIJZBDFGJ-PMACEKPBSA-N 2 2 339.483 2.251 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000330237638 465582469 /nfs/dbraw/zinc/58/24/69/465582469.db2.gz APTIPFBPDCYRJK-CVEARBPZSA-N 2 2 331.464 2.062 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357094880 465769035 /nfs/dbraw/zinc/76/90/35/465769035.db2.gz ZBFKFERXGCYHAH-XHSDSOJGSA-N 2 2 333.501 2.193 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357094880 465769044 /nfs/dbraw/zinc/76/90/44/465769044.db2.gz ZBFKFERXGCYHAH-XHSDSOJGSA-N 2 2 333.501 2.193 20 30 EEEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000330931901 465865787 /nfs/dbraw/zinc/86/57/87/465865787.db2.gz WBZVEXAMONREEW-CABCVRRESA-N 2 2 338.496 2.011 20 30 EEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000330931901 465865796 /nfs/dbraw/zinc/86/57/96/465865796.db2.gz WBZVEXAMONREEW-CABCVRRESA-N 2 2 338.496 2.011 20 30 EEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000330931901 465865801 /nfs/dbraw/zinc/86/58/01/465865801.db2.gz WBZVEXAMONREEW-CABCVRRESA-N 2 2 338.496 2.011 20 30 EEEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000330931901 465865808 /nfs/dbraw/zinc/86/58/08/465865808.db2.gz WBZVEXAMONREEW-CABCVRRESA-N 2 2 338.496 2.011 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363152343 466250721 /nfs/dbraw/zinc/25/07/21/466250721.db2.gz UZARPMTWBVSIFQ-APWZRJJASA-N 2 2 342.487 2.025 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363152343 466250725 /nfs/dbraw/zinc/25/07/25/466250725.db2.gz UZARPMTWBVSIFQ-APWZRJJASA-N 2 2 342.487 2.025 20 30 EEEDLP CC(=O)c1ccc(C#N)cc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000347401531 466613753 /nfs/dbraw/zinc/61/37/53/466613753.db2.gz CSVJEODURNTKSL-HNNXBMFYSA-N 2 2 340.471 2.366 20 30 EEEDLP CC(=O)c1ccc(C#N)cc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000347401531 466613759 /nfs/dbraw/zinc/61/37/59/466613759.db2.gz CSVJEODURNTKSL-HNNXBMFYSA-N 2 2 340.471 2.366 20 30 EEEDLP Cc1nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687937 468176298 /nfs/dbraw/zinc/17/62/98/468176298.db2.gz YFLWEFMRLAFMJU-AWEZNQCLSA-N 2 2 333.867 2.496 20 30 EEEDLP Cc1nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687937 468176303 /nfs/dbraw/zinc/17/63/03/468176303.db2.gz YFLWEFMRLAFMJU-AWEZNQCLSA-N 2 2 333.867 2.496 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000592291163 468671837 /nfs/dbraw/zinc/67/18/37/468671837.db2.gz QXKOXTVLHPMLGW-UHFFFAOYSA-N 2 2 337.489 2.188 20 30 EEEDLP Cc1ccc(C#N)nc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000596168021 469183980 /nfs/dbraw/zinc/18/39/80/469183980.db2.gz NHFHFFKOAGTMMY-UHFFFAOYSA-N 2 2 327.476 2.257 20 30 EEEDLP C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000660714117 471458293 /nfs/dbraw/zinc/45/82/93/471458293.db2.gz XMWTZFWNIXVXDN-IAGOWNOFSA-N 2 2 334.508 2.153 20 30 EEEDLP C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000660714117 471458295 /nfs/dbraw/zinc/45/82/95/471458295.db2.gz XMWTZFWNIXVXDN-IAGOWNOFSA-N 2 2 334.508 2.153 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000177908607 526454155 /nfs/dbraw/zinc/45/41/55/526454155.db2.gz JEYMIXGYFITCME-CQSZACIVSA-N 2 2 337.489 2.359 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000353317110 526581143 /nfs/dbraw/zinc/58/11/43/526581143.db2.gz VOUIRZXXYUROFR-UHFFFAOYSA-N 2 2 329.435 2.120 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000106035424 526601641 /nfs/dbraw/zinc/60/16/41/526601641.db2.gz ISWMJSVRCDQRIM-UHFFFAOYSA-N 2 2 325.416 2.038 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000774806932 577419040 /nfs/dbraw/zinc/41/90/40/577419040.db2.gz URSBSARTIJBLEH-QGZVFWFLSA-N 2 2 335.451 2.268 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529861 675965013 /nfs/dbraw/zinc/96/50/13/675965013.db2.gz UKQFOEXZPSDSAI-HOCLYGCPSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529861 675965015 /nfs/dbraw/zinc/96/50/15/675965015.db2.gz UKQFOEXZPSDSAI-HOCLYGCPSA-N 2 2 327.900 2.438 20 30 EEEDLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001021394836 676042023 /nfs/dbraw/zinc/04/20/23/676042023.db2.gz XNBTWTGQKVDAAW-CTXDPNEZSA-N 2 2 348.450 2.116 20 30 EEEDLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001021394836 676042026 /nfs/dbraw/zinc/04/20/26/676042026.db2.gz XNBTWTGQKVDAAW-CTXDPNEZSA-N 2 2 348.450 2.116 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711869 676369921 /nfs/dbraw/zinc/36/99/21/676369921.db2.gz FCOPSOWXPNDROY-HOCLYGCPSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711869 676369922 /nfs/dbraw/zinc/36/99/22/676369922.db2.gz FCOPSOWXPNDROY-HOCLYGCPSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717280 676377376 /nfs/dbraw/zinc/37/73/76/676377376.db2.gz OQZQHKGMWRJJNS-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717280 676377377 /nfs/dbraw/zinc/37/73/77/676377377.db2.gz OQZQHKGMWRJJNS-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255466 682345123 /nfs/dbraw/zinc/34/51/23/682345123.db2.gz QICJQNOJOYXKFM-ZWKOTPCHSA-N 2 2 328.460 2.142 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255466 682345126 /nfs/dbraw/zinc/34/51/26/682345126.db2.gz QICJQNOJOYXKFM-ZWKOTPCHSA-N 2 2 328.460 2.142 20 30 EEEDLP Cc1cc(C#N)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000892984639 683475410 /nfs/dbraw/zinc/47/54/10/683475410.db2.gz DOEHNAXQEAVEOS-JWTNVVGKSA-N 2 2 325.460 2.009 20 30 EEEDLP Cc1cc(C#N)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000892984639 683475412 /nfs/dbraw/zinc/47/54/12/683475412.db2.gz DOEHNAXQEAVEOS-JWTNVVGKSA-N 2 2 325.460 2.009 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]12 ZINC001026292790 684209540 /nfs/dbraw/zinc/20/95/40/684209540.db2.gz UGYMVTCMKNVJJX-FVQBIDKESA-N 2 2 349.862 2.212 20 30 EEEDLP C=CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001026609412 684787399 /nfs/dbraw/zinc/78/73/99/684787399.db2.gz HHULECQFGJXTCJ-UHFFFAOYSA-N 2 2 333.501 2.309 20 30 EEEDLP C=CC[NH2+]C1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001026609412 684787401 /nfs/dbraw/zinc/78/74/01/684787401.db2.gz HHULECQFGJXTCJ-UHFFFAOYSA-N 2 2 333.501 2.309 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985510640 687075012 /nfs/dbraw/zinc/07/50/12/687075012.db2.gz WOHZLTUGRJLQRB-CQSZACIVSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985510640 687075016 /nfs/dbraw/zinc/07/50/16/687075016.db2.gz WOHZLTUGRJLQRB-CQSZACIVSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027442999 688180460 /nfs/dbraw/zinc/18/04/60/688180460.db2.gz HWODAIIBXAHREL-HUUCEWRRSA-N 2 2 336.867 2.436 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027442999 688180464 /nfs/dbraw/zinc/18/04/64/688180464.db2.gz HWODAIIBXAHREL-HUUCEWRRSA-N 2 2 336.867 2.436 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001482602445 1187342813 /nfs/dbraw/zinc/34/28/13/1187342813.db2.gz UFYISRKBZLWYSP-LJQANCHMSA-N 2 2 342.487 2.323 20 30 EEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001482602445 1187342816 /nfs/dbraw/zinc/34/28/16/1187342816.db2.gz 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30 EEEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087463149 780965873 /nfs/dbraw/zinc/96/58/73/780965873.db2.gz UIVMORBHNDPTFX-QRVBRYPASA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087463149 780965879 /nfs/dbraw/zinc/96/58/79/780965879.db2.gz UIVMORBHNDPTFX-QRVBRYPASA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087463149 780965880 /nfs/dbraw/zinc/96/58/80/780965880.db2.gz UIVMORBHNDPTFX-QRVBRYPASA-N 2 2 345.462 2.380 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135579050 784032267 /nfs/dbraw/zinc/03/22/67/784032267.db2.gz IKPQIKFUAWRNKR-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135852172 784604146 /nfs/dbraw/zinc/60/41/46/784604146.db2.gz BVLRISQGXQSHCS-LSDHHAIUSA-N 2 2 327.432 2.330 20 30 EEEDLP 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2.193 20 30 EEEDLP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001079735675 795151077 /nfs/dbraw/zinc/15/10/77/795151077.db2.gz AUGKOOBDDSPPAE-ZTFGCOKTSA-N 2 2 345.491 2.193 20 30 EEEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001078688532 796868486 /nfs/dbraw/zinc/86/84/86/796868486.db2.gz RIMXOLIUFRDVNB-ROUUACIJSA-N 2 2 334.423 2.136 20 30 EEEDLP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001172487851 797004798 /nfs/dbraw/zinc/00/47/98/797004798.db2.gz NVNZLGJTNXNJGH-MRXNPFEDSA-N 2 2 328.460 2.178 20 30 EEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[NH2+]C(C)(C)C)CC1=O ZINC000153991323 797618546 /nfs/dbraw/zinc/61/85/46/797618546.db2.gz NOMIQQCCQLANDA-UHFFFAOYSA-N 2 2 341.459 2.034 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001177152180 798776918 /nfs/dbraw/zinc/77/69/18/798776918.db2.gz YQDBTYYLVIVYSX-MOPGFXCFSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001177152180 798776922 /nfs/dbraw/zinc/77/69/22/798776922.db2.gz YQDBTYYLVIVYSX-MOPGFXCFSA-N 2 2 349.519 2.130 20 30 EEEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820432 800921728 /nfs/dbraw/zinc/92/17/28/800921728.db2.gz NTFIXTPNHVCHNA-ZHALLVOQSA-N 2 2 330.476 2.178 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085682590 801037568 /nfs/dbraw/zinc/03/75/68/801037568.db2.gz XEPKYGSWDAWKRQ-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085682590 801037574 /nfs/dbraw/zinc/03/75/74/801037574.db2.gz XEPKYGSWDAWKRQ-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085682590 801037580 /nfs/dbraw/zinc/03/75/80/801037580.db2.gz XEPKYGSWDAWKRQ-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085682590 801037587 /nfs/dbraw/zinc/03/75/87/801037587.db2.gz XEPKYGSWDAWKRQ-JKSUJKDBSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001183528819 801626729 /nfs/dbraw/zinc/62/67/29/801626729.db2.gz YLDVLUIXRDUREM-IMFGXOCKSA-N 2 2 344.503 2.335 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004445819 802060454 /nfs/dbraw/zinc/06/04/54/802060454.db2.gz IIYXDANEQOYPBH-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004445819 802060463 /nfs/dbraw/zinc/06/04/63/802060463.db2.gz IIYXDANEQOYPBH-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004445819 802060466 /nfs/dbraw/zinc/06/04/66/802060466.db2.gz IIYXDANEQOYPBH-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004445819 802060475 /nfs/dbraw/zinc/06/04/75/802060475.db2.gz IIYXDANEQOYPBH-QZTJIDSGSA-N 2 2 332.492 2.087 20 30 EEEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004458044 802122464 /nfs/dbraw/zinc/12/24/64/802122464.db2.gz NTBJBSRBMXSVAY-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004458044 802122469 /nfs/dbraw/zinc/12/24/69/802122469.db2.gz NTBJBSRBMXSVAY-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004458044 802122475 /nfs/dbraw/zinc/12/24/75/802122475.db2.gz NTBJBSRBMXSVAY-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004458044 802122481 /nfs/dbraw/zinc/12/24/81/802122481.db2.gz NTBJBSRBMXSVAY-ROUUACIJSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033199400 803066893 /nfs/dbraw/zinc/06/68/93/803066893.db2.gz SLBOXOCMHYPYHU-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033199400 803066900 /nfs/dbraw/zinc/06/69/00/803066900.db2.gz SLBOXOCMHYPYHU-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033199400 803066906 /nfs/dbraw/zinc/06/69/06/803066906.db2.gz SLBOXOCMHYPYHU-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033199400 803066910 /nfs/dbraw/zinc/06/69/10/803066910.db2.gz SLBOXOCMHYPYHU-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001108690846 804357789 /nfs/dbraw/zinc/35/77/89/804357789.db2.gz VHWIAJBESPBARH-JZXOWHBKSA-N 2 2 342.487 2.307 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]Cc3ccc(C#N)cc3)ccn12 ZINC001568991763 1125026406 /nfs/dbraw/zinc/02/64/06/1125026406.db2.gz JZGPJSWDBJQTJC-CQSZACIVSA-N 2 2 347.422 2.423 20 30 EEEDLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000329950492 539785997 /nfs/dbraw/zinc/78/59/97/539785997.db2.gz MJEWAVILWQHJLM-OAHLLOKOSA-N 2 2 333.480 2.467 20 30 EEEDLP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449581876 242568788 /nfs/dbraw/zinc/56/87/88/242568788.db2.gz CJKKKMDPYTUNNA-MRXNPFEDSA-N 2 2 337.471 2.477 20 30 EEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440672 243115898 /nfs/dbraw/zinc/11/58/98/243115898.db2.gz GSGNTIUHIRSWAF-MJGOQNOKSA-N 2 2 340.471 2.470 20 30 EEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440672 243115904 /nfs/dbraw/zinc/11/59/04/243115904.db2.gz GSGNTIUHIRSWAF-MJGOQNOKSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440672 243115911 /nfs/dbraw/zinc/11/59/11/243115911.db2.gz GSGNTIUHIRSWAF-MJGOQNOKSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245440672 243115913 /nfs/dbraw/zinc/11/59/13/243115913.db2.gz GSGNTIUHIRSWAF-MJGOQNOKSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269433244 274112450 /nfs/dbraw/zinc/11/24/50/274112450.db2.gz QJLCMWDPBKMTKD-UHFFFAOYSA-N 2 2 339.418 2.134 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000104720186 463420642 /nfs/dbraw/zinc/42/06/42/463420642.db2.gz GVVOLHIFBDVPQG-UHFFFAOYSA-N 2 2 338.411 2.163 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000071904002 463465279 /nfs/dbraw/zinc/46/52/79/463465279.db2.gz NPQIBJZWYHUFKF-BQYQJAHWSA-N 2 2 340.471 2.056 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000071904002 463465286 /nfs/dbraw/zinc/46/52/86/463465286.db2.gz NPQIBJZWYHUFKF-BQYQJAHWSA-N 2 2 340.471 2.056 20 30 EEEDLP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cc1C#N ZINC000284936393 464398653 /nfs/dbraw/zinc/39/86/53/464398653.db2.gz VAZFLOQCUUKZBR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cc1C#N ZINC000284936393 464398659 /nfs/dbraw/zinc/39/86/59/464398659.db2.gz VAZFLOQCUUKZBR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc1C#N ZINC000284936393 464398666 /nfs/dbraw/zinc/39/86/66/464398666.db2.gz VAZFLOQCUUKZBR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc1C#N ZINC000284936393 464398670 /nfs/dbraw/zinc/39/86/70/464398670.db2.gz VAZFLOQCUUKZBR-QFBILLFUSA-N 2 2 340.475 2.145 20 30 EEEDLP C=CCOc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175268549 464516948 /nfs/dbraw/zinc/51/69/48/464516948.db2.gz FQKSBTDDMDOVTQ-UHFFFAOYSA-N 2 2 346.475 2.399 20 30 EEEDLP C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247629719 464697945 /nfs/dbraw/zinc/69/79/45/464697945.db2.gz NSGHDBRRAFADCN-JKSUJKDBSA-N 2 2 329.448 2.109 20 30 EEEDLP C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247629719 464697953 /nfs/dbraw/zinc/69/79/53/464697953.db2.gz NSGHDBRRAFADCN-JKSUJKDBSA-N 2 2 329.448 2.109 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000345809519 465904706 /nfs/dbraw/zinc/90/47/06/465904706.db2.gz DTBPQUPZJIGZMP-ZWKOTPCHSA-N 2 2 349.523 2.269 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000345809519 465904710 /nfs/dbraw/zinc/90/47/10/465904710.db2.gz DTBPQUPZJIGZMP-ZWKOTPCHSA-N 2 2 349.523 2.269 20 30 EEEDLP C=C(C)Cn1c(C)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000338848631 466423051 /nfs/dbraw/zinc/42/30/51/466423051.db2.gz ZUDHBRDZGAPEDF-UHFFFAOYSA-N 2 2 346.523 2.157 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038440 467197721 /nfs/dbraw/zinc/19/77/21/467197721.db2.gz NUQMHLNJWLUEFM-YQQAZPJKSA-N 2 2 333.501 2.335 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038440 467197724 /nfs/dbraw/zinc/19/77/24/467197724.db2.gz NUQMHLNJWLUEFM-YQQAZPJKSA-N 2 2 333.501 2.335 20 30 EEEDLP CC(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000414347436 467405475 /nfs/dbraw/zinc/40/54/75/467405475.db2.gz QZEOWMKNSIUVJV-OAHLLOKOSA-N 2 2 328.460 2.025 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505356 468880429 /nfs/dbraw/zinc/88/04/29/468880429.db2.gz SBRSPTZPGVWLSL-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505356 468880432 /nfs/dbraw/zinc/88/04/32/468880432.db2.gz SBRSPTZPGVWLSL-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505356 468880436 /nfs/dbraw/zinc/88/04/36/468880436.db2.gz SBRSPTZPGVWLSL-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505356 468880440 /nfs/dbraw/zinc/88/04/40/468880440.db2.gz SBRSPTZPGVWLSL-DNVCBOLYSA-N 2 2 326.444 2.303 20 30 EEEDLP O[C@H](C[NH2+]CC#Cc1cccc(F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000572993619 469038138 /nfs/dbraw/zinc/03/81/38/469038138.db2.gz JHINXLFQCAIDMC-OAQYLSRUSA-N 2 2 338.426 2.186 20 30 EEEDLP O[C@H](C[NH2+]CC#Cc1cccc(F)c1)C[N@H+]1CCc2ccccc2C1 ZINC000572993619 469038143 /nfs/dbraw/zinc/03/81/43/469038143.db2.gz JHINXLFQCAIDMC-OAQYLSRUSA-N 2 2 338.426 2.186 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000730098019 576714578 /nfs/dbraw/zinc/71/45/78/576714578.db2.gz RAQBNYNPVXZTAQ-UHOSZYNNSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000730098019 576714580 /nfs/dbraw/zinc/71/45/80/576714580.db2.gz RAQBNYNPVXZTAQ-UHOSZYNNSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000730098019 576714582 /nfs/dbraw/zinc/71/45/82/576714582.db2.gz RAQBNYNPVXZTAQ-UHOSZYNNSA-N 2 2 325.456 2.036 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000730098019 576714585 /nfs/dbraw/zinc/71/45/85/576714585.db2.gz RAQBNYNPVXZTAQ-UHOSZYNNSA-N 2 2 325.456 2.036 20 30 EEEDLP c1cn(-c2ccc(N=NC3CC[NH+](C4CCCC4)CC3)nn2)c[nH+]1 ZINC000761834937 577689804 /nfs/dbraw/zinc/68/98/04/577689804.db2.gz KPFWAVITUKFFGC-UHFFFAOYSA-N 2 2 325.420 2.469 20 30 EEEDLP CCc1[nH+]c(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c2ccccn21 ZINC000761834340 577689815 /nfs/dbraw/zinc/68/98/15/577689815.db2.gz IRHSACCMVYTNOO-UHFFFAOYSA-N 2 2 332.371 2.318 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccc4ccccc4n3)cn2)CC1 ZINC000755489695 577825664 /nfs/dbraw/zinc/82/56/64/577825664.db2.gz ZNSYIVLSJRTARA-UHFFFAOYSA-N 2 2 347.426 2.223 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccccc3Cl)cn2)CC1 ZINC000755660653 577828733 /nfs/dbraw/zinc/82/87/33/577828733.db2.gz IRASGUGEIFXDKA-UHFFFAOYSA-N 2 2 344.850 2.006 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000970785582 676150752 /nfs/dbraw/zinc/15/07/52/676150752.db2.gz CYXNGRLLJBZTDY-CQSZACIVSA-N 2 2 339.892 2.049 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000970785582 676150754 /nfs/dbraw/zinc/15/07/54/676150754.db2.gz CYXNGRLLJBZTDY-CQSZACIVSA-N 2 2 339.892 2.049 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC001024487482 679967672 /nfs/dbraw/zinc/96/76/72/679967672.db2.gz PVTKOAQIRQVEIE-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(F)(F)F ZINC001024487482 679967683 /nfs/dbraw/zinc/96/76/83/679967683.db2.gz PVTKOAQIRQVEIE-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC001024487482 679967668 /nfs/dbraw/zinc/96/76/68/679967668.db2.gz PVTKOAQIRQVEIE-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(F)(F)F ZINC001024487482 679967679 /nfs/dbraw/zinc/96/76/79/679967679.db2.gz PVTKOAQIRQVEIE-GJZGRUSLSA-N 2 2 345.409 2.007 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974742643 685385835 /nfs/dbraw/zinc/38/58/35/685385835.db2.gz MXXJJEHQJCJDMD-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974742643 685385839 /nfs/dbraw/zinc/38/58/39/685385839.db2.gz MXXJJEHQJCJDMD-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024651689 681316885 /nfs/dbraw/zinc/31/68/85/681316885.db2.gz BORUVHPHGMFBAP-HNNXBMFYSA-N 2 2 332.448 2.041 20 30 EEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024651689 681316889 /nfs/dbraw/zinc/31/68/89/681316889.db2.gz BORUVHPHGMFBAP-HNNXBMFYSA-N 2 2 332.448 2.041 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025242547 682310082 /nfs/dbraw/zinc/31/00/82/682310082.db2.gz JJPKHDXDOOXMCS-QZTJIDSGSA-N 2 2 342.487 2.405 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025242547 682310086 /nfs/dbraw/zinc/31/00/86/682310086.db2.gz JJPKHDXDOOXMCS-QZTJIDSGSA-N 2 2 342.487 2.405 20 30 EEEDLP CN(C)c1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000894405942 682843957 /nfs/dbraw/zinc/84/39/57/682843957.db2.gz CMLDDMSQPKBJEK-UHFFFAOYSA-N 2 2 336.443 2.491 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000992705938 683285931 /nfs/dbraw/zinc/28/59/31/683285931.db2.gz CWEAQFYONNEIBL-NUEKZKHPSA-N 2 2 336.867 2.312 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000992705938 683285932 /nfs/dbraw/zinc/28/59/32/683285932.db2.gz CWEAQFYONNEIBL-NUEKZKHPSA-N 2 2 336.867 2.312 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)CC1(C)C ZINC000974686506 685224939 /nfs/dbraw/zinc/22/49/39/685224939.db2.gz PHKMJUAYNWFGEY-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)CC1(C)C ZINC000974686506 685224948 /nfs/dbraw/zinc/22/49/48/685224948.db2.gz PHKMJUAYNWFGEY-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)CC1(C)C ZINC000974686506 685224954 /nfs/dbraw/zinc/22/49/54/685224954.db2.gz PHKMJUAYNWFGEY-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)CC1(C)C ZINC000974686506 685224963 /nfs/dbraw/zinc/22/49/63/685224963.db2.gz PHKMJUAYNWFGEY-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(CC)[nH+]c3C)C2)C1=O ZINC001272573125 1190886533 /nfs/dbraw/zinc/88/65/33/1190886533.db2.gz XWLRLJARJLZBTI-IBGZPJMESA-N 2 2 344.459 2.198 20 30 EEEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(CC)[nH+]c3C)C2)C1=O ZINC001272573125 1190886536 /nfs/dbraw/zinc/88/65/36/1190886536.db2.gz XWLRLJARJLZBTI-IBGZPJMESA-N 2 2 344.459 2.198 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539324 1194709633 /nfs/dbraw/zinc/70/96/33/1194709633.db2.gz IWTOHQORNUADCV-MRXNPFEDSA-N 2 2 345.834 2.166 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539324 1194709636 /nfs/dbraw/zinc/70/96/36/1194709636.db2.gz IWTOHQORNUADCV-MRXNPFEDSA-N 2 2 345.834 2.166 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014780619 1224339381 /nfs/dbraw/zinc/33/93/81/1224339381.db2.gz UCJDBQURSDGNHJ-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014780619 1224339386 /nfs/dbraw/zinc/33/93/86/1224339386.db2.gz UCJDBQURSDGNHJ-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014780619 1224339396 /nfs/dbraw/zinc/33/93/96/1224339396.db2.gz UCJDBQURSDGNHJ-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014780619 1224339408 /nfs/dbraw/zinc/33/94/08/1224339408.db2.gz UCJDBQURSDGNHJ-OALUTQOASA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2)C1 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ZINC001219310435 1297980162 /nfs/dbraw/zinc/98/01/62/1297980162.db2.gz DBIPRWJDWBETCS-NUJGCVRESA-N 2 2 327.504 2.076 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222042186 1299300908 /nfs/dbraw/zinc/30/09/08/1299300908.db2.gz ZQRWCVPTXMTZKT-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222042186 1299300921 /nfs/dbraw/zinc/30/09/21/1299300921.db2.gz ZQRWCVPTXMTZKT-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001223661150 1300214634 /nfs/dbraw/zinc/21/46/34/1300214634.db2.gz KYKPJNUUTCIXEB-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073375 1300243914 /nfs/dbraw/zinc/24/39/14/1300243914.db2.gz VLWFZLRMXGFKLV-KZNAEPCWSA-N 2 2 330.476 2.178 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073375 1300243926 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ZINC001236893757 1305717034 /nfs/dbraw/zinc/71/70/34/1305717034.db2.gz VYMGALHLWVZHEY-SFHVURJKSA-N 2 2 343.496 2.213 20 30 EEEDLP N#Cc1cc(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)ccn1 ZINC001237464191 1305944988 /nfs/dbraw/zinc/94/49/88/1305944988.db2.gz OUAHAOQIRGDTHH-UHFFFAOYSA-N 2 2 349.438 2.220 20 30 EEEDLP N#Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc(C2C[NH2+]C2)c1 ZINC001240345246 1309308412 /nfs/dbraw/zinc/30/84/12/1309308412.db2.gz DNTTZZRMNCNWGT-UHFFFAOYSA-N 3 2 329.407 2.247 20 30 EEEDLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769949 1310421606 /nfs/dbraw/zinc/42/16/06/1310421606.db2.gz SGYZSZURTSYKMX-BPAFIMBUSA-N 2 2 338.455 2.128 20 30 EEEDLP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C[NH2+]1 ZINC001246769949 1310421615 /nfs/dbraw/zinc/42/16/15/1310421615.db2.gz SGYZSZURTSYKMX-BPAFIMBUSA-N 2 2 338.455 2.128 20 30 EEEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001151302702 1316500040 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YYSZBILQEFXOAC-JHPBPYBXSA-N 2 2 336.520 2.286 20 30 EEEDLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001253192333 1317793688 /nfs/dbraw/zinc/79/36/88/1317793688.db2.gz OVEAMNQCSITBRL-MJGOQNOKSA-N 2 2 331.460 2.104 20 30 EEEDLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001253192333 1317793694 /nfs/dbraw/zinc/79/36/94/1317793694.db2.gz OVEAMNQCSITBRL-MJGOQNOKSA-N 2 2 331.460 2.104 20 30 EEEDLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001253192331 1317793841 /nfs/dbraw/zinc/79/38/41/1317793841.db2.gz OVEAMNQCSITBRL-HKUYNNGSSA-N 2 2 331.460 2.104 20 30 EEEDLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001253192331 1317793846 /nfs/dbraw/zinc/79/38/46/1317793846.db2.gz OVEAMNQCSITBRL-HKUYNNGSSA-N 2 2 331.460 2.104 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676894 1321938566 /nfs/dbraw/zinc/93/85/66/1321938566.db2.gz IIWSLXHIDWTRFL-CABCVRRESA-N 2 2 336.867 2.122 20 30 EEEDLP C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208106280 1324318351 /nfs/dbraw/zinc/31/83/51/1324318351.db2.gz BCUWUETXUWATLA-KRWDZBQOSA-N 2 2 347.507 2.132 20 30 EEEDLP C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208106280 1324318355 /nfs/dbraw/zinc/31/83/55/1324318355.db2.gz BCUWUETXUWATLA-KRWDZBQOSA-N 2 2 347.507 2.132 20 30 EEEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492573 1324524298 /nfs/dbraw/zinc/52/42/98/1324524298.db2.gz NPJBJYITXWHIGX-CRAIPNDOSA-N 2 2 347.890 2.080 20 30 EEEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492573 1324524305 /nfs/dbraw/zinc/52/43/05/1324524305.db2.gz NPJBJYITXWHIGX-CRAIPNDOSA-N 2 2 347.890 2.080 20 30 EEEDLP N#CCCN1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931970 1324723791 /nfs/dbraw/zinc/72/37/91/1324723791.db2.gz DXFMGVIYJDBFFA-HXUWFJFHSA-N 2 2 326.488 2.430 20 30 EEEDLP N#CCCN1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931970 1324723795 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20 30 EEEDLP C=CCCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209203810 1324851886 /nfs/dbraw/zinc/85/18/86/1324851886.db2.gz WCIOJVQNPFFQGP-QGZVFWFLSA-N 2 2 331.508 2.363 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210250970 1325214394 /nfs/dbraw/zinc/21/43/94/1325214394.db2.gz HVCXGOVWYHFETJ-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210250970 1325214403 /nfs/dbraw/zinc/21/44/03/1325214403.db2.gz HVCXGOVWYHFETJ-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001425922643 1401802179 /nfs/dbraw/zinc/80/21/79/1401802179.db2.gz FBSLPEMQUATVNW-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001425922643 1401802181 /nfs/dbraw/zinc/80/21/81/1401802181.db2.gz FBSLPEMQUATVNW-KGLIPLIRSA-N 2 2 346.313 2.206 20 30 EEEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755677845 1407725109 /nfs/dbraw/zinc/72/51/09/1407725109.db2.gz CHBFYEPMLXYFNK-WMLDXEAASA-N 2 2 342.443 2.038 20 30 EEEDLP C[C@H](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001167424872 758348654 /nfs/dbraw/zinc/34/86/54/758348654.db2.gz IOJPKUOLSGGRSM-OAHLLOKOSA-N 2 2 325.416 2.002 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660528 774043364 /nfs/dbraw/zinc/04/33/64/774043364.db2.gz KRMCIHYUVNQRGN-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660528 774043368 /nfs/dbraw/zinc/04/33/68/774043368.db2.gz KRMCIHYUVNQRGN-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027943257 774755403 /nfs/dbraw/zinc/75/54/03/774755403.db2.gz LBXMWNBPXZCSGE-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027943257 774755409 /nfs/dbraw/zinc/75/54/09/774755409.db2.gz LBXMWNBPXZCSGE-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027943257 774755418 /nfs/dbraw/zinc/75/54/18/774755418.db2.gz LBXMWNBPXZCSGE-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027943257 774755425 /nfs/dbraw/zinc/75/54/25/774755425.db2.gz LBXMWNBPXZCSGE-MOPGFXCFSA-N 2 2 329.488 2.165 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC001027943495 774757472 /nfs/dbraw/zinc/75/74/72/774757472.db2.gz NAUYMKLVHGSNAW-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC001027943495 774757478 /nfs/dbraw/zinc/75/74/78/774757478.db2.gz NAUYMKLVHGSNAW-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C)cc1 ZINC001027943495 774757482 /nfs/dbraw/zinc/75/74/82/774757482.db2.gz NAUYMKLVHGSNAW-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C)cc1 ZINC001027943495 774757487 /nfs/dbraw/zinc/75/74/87/774757487.db2.gz NAUYMKLVHGSNAW-PMACEKPBSA-N 2 2 339.483 2.173 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000981417885 777353315 /nfs/dbraw/zinc/35/33/15/777353315.db2.gz NLMUVGUFIFLUGQ-SJORKVTESA-N 2 2 337.427 2.041 20 30 EEEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231245 784198563 /nfs/dbraw/zinc/19/85/63/784198563.db2.gz LHEINSRXDGOERH-QGZVFWFLSA-N 2 2 328.460 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231245 784198566 /nfs/dbraw/zinc/19/85/66/784198566.db2.gz LHEINSRXDGOERH-QGZVFWFLSA-N 2 2 328.460 2.172 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035740475 785054274 /nfs/dbraw/zinc/05/42/74/785054274.db2.gz IHMHVWVZFQKDGM-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c(OC)c1 ZINC000923288348 789316746 /nfs/dbraw/zinc/31/67/46/789316746.db2.gz IYGATRJCVMKYID-NXHRZFHOSA-N 2 2 348.487 2.223 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c(OC)c1 ZINC000923288348 789316751 /nfs/dbraw/zinc/31/67/51/789316751.db2.gz IYGATRJCVMKYID-NXHRZFHOSA-N 2 2 348.487 2.223 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997186536 789380689 /nfs/dbraw/zinc/38/06/89/789380689.db2.gz LHZKWBBAJZZIQT-CZUORRHYSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997186536 789380700 /nfs/dbraw/zinc/38/07/00/789380700.db2.gz LHZKWBBAJZZIQT-CZUORRHYSA-N 2 2 330.476 2.226 20 30 EEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001171183288 789792006 /nfs/dbraw/zinc/79/20/06/789792006.db2.gz CJUIOUNWZVNVIM-RRQGHBQHSA-N 2 2 344.459 2.025 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998124442 792023056 /nfs/dbraw/zinc/02/30/56/792023056.db2.gz FZLAHMGFYUODTE-KZNAEPCWSA-N 2 2 342.487 2.250 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998124442 792023065 /nfs/dbraw/zinc/02/30/65/792023065.db2.gz FZLAHMGFYUODTE-KZNAEPCWSA-N 2 2 342.487 2.250 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092159908 793614625 /nfs/dbraw/zinc/61/46/25/793614625.db2.gz NIJXZDQRTSHEBR-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092159908 793614627 /nfs/dbraw/zinc/61/46/27/793614627.db2.gz NIJXZDQRTSHEBR-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036783312 794984135 /nfs/dbraw/zinc/98/41/35/794984135.db2.gz XYSZCHLOKSGSDL-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036783312 794984142 /nfs/dbraw/zinc/98/41/42/794984142.db2.gz XYSZCHLOKSGSDL-IEBWSBKVSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001079878326 795311537 /nfs/dbraw/zinc/31/15/37/795311537.db2.gz SIGMFCIRXJJXOD-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001079878326 795311548 /nfs/dbraw/zinc/31/15/48/795311548.db2.gz SIGMFCIRXJJXOD-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1C ZINC001079878326 795311555 /nfs/dbraw/zinc/31/15/55/795311555.db2.gz SIGMFCIRXJJXOD-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1C ZINC001079878326 795311559 /nfs/dbraw/zinc/31/15/59/795311559.db2.gz SIGMFCIRXJJXOD-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001093598916 795439302 /nfs/dbraw/zinc/43/93/02/795439302.db2.gz KIVRFZBQRCVKAE-CALCHBBNSA-N 2 2 349.519 2.127 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001093598916 795439307 /nfs/dbraw/zinc/43/93/07/795439307.db2.gz KIVRFZBQRCVKAE-CALCHBBNSA-N 2 2 349.519 2.127 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468475 796240560 /nfs/dbraw/zinc/24/05/60/796240560.db2.gz PSGYUJUAPVGNCV-YLJYHZDGSA-N 2 2 336.439 2.332 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468475 796240566 /nfs/dbraw/zinc/24/05/66/796240566.db2.gz PSGYUJUAPVGNCV-YLJYHZDGSA-N 2 2 336.439 2.332 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171785012 796745335 /nfs/dbraw/zinc/74/53/35/796745335.db2.gz ZAFJQTFMSGZODC-INIZCTEOSA-N 2 2 344.459 2.415 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761881 796986348 /nfs/dbraw/zinc/98/63/48/796986348.db2.gz RUGNFNIFBPAWJI-IRXDYDNUSA-N 2 2 349.438 2.041 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442720 797096296 /nfs/dbraw/zinc/09/62/96/797096296.db2.gz VJVZROSDBPJVMA-KZNAEPCWSA-N 2 2 348.491 2.252 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442720 797096302 /nfs/dbraw/zinc/09/63/02/797096302.db2.gz VJVZROSDBPJVMA-KZNAEPCWSA-N 2 2 348.491 2.252 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001032827229 798455840 /nfs/dbraw/zinc/45/58/40/798455840.db2.gz WGNLSGKTBSSWOT-HOJAQTOUSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001032827229 798455843 /nfs/dbraw/zinc/45/58/43/798455843.db2.gz WGNLSGKTBSSWOT-HOJAQTOUSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001032827229 798455845 /nfs/dbraw/zinc/45/58/45/798455845.db2.gz WGNLSGKTBSSWOT-HOJAQTOUSA-N 2 2 339.483 2.344 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001032827229 798455848 /nfs/dbraw/zinc/45/58/48/798455848.db2.gz WGNLSGKTBSSWOT-HOJAQTOUSA-N 2 2 339.483 2.344 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001177152181 798777289 /nfs/dbraw/zinc/77/72/89/798777289.db2.gz YQDBTYYLVIVYSX-OALUTQOASA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001177152181 798777294 /nfs/dbraw/zinc/77/72/94/798777294.db2.gz YQDBTYYLVIVYSX-OALUTQOASA-N 2 2 349.519 2.130 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032837178 799441249 /nfs/dbraw/zinc/44/12/49/799441249.db2.gz XQZSXFJJIUEWKR-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032837178 799441252 /nfs/dbraw/zinc/44/12/52/799441252.db2.gz XQZSXFJJIUEWKR-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032837178 799441255 /nfs/dbraw/zinc/44/12/55/799441255.db2.gz XQZSXFJJIUEWKR-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032837178 799441259 /nfs/dbraw/zinc/44/12/59/799441259.db2.gz XQZSXFJJIUEWKR-LZQZEXGQSA-N 2 2 343.446 2.175 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673597 801028150 /nfs/dbraw/zinc/02/81/50/801028150.db2.gz ALJVNPZNFCOLJV-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085673597 801028157 /nfs/dbraw/zinc/02/81/57/801028157.db2.gz ALJVNPZNFCOLJV-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085673597 801028164 /nfs/dbraw/zinc/02/81/64/801028164.db2.gz ALJVNPZNFCOLJV-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@@H]1CC[NH+]1Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085673597 801028171 /nfs/dbraw/zinc/02/81/71/801028171.db2.gz ALJVNPZNFCOLJV-OALUTQOASA-N 2 2 340.471 2.075 20 30 EEEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004567660 802384939 /nfs/dbraw/zinc/38/49/39/802384939.db2.gz KHJRKNIOACFTHA-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004567660 802384949 /nfs/dbraw/zinc/38/49/49/802384949.db2.gz KHJRKNIOACFTHA-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004567660 802384958 /nfs/dbraw/zinc/38/49/58/802384958.db2.gz KHJRKNIOACFTHA-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004567660 802384966 /nfs/dbraw/zinc/38/49/66/802384966.db2.gz KHJRKNIOACFTHA-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946639505 802534523 /nfs/dbraw/zinc/53/45/23/802534523.db2.gz BMQTYERNCTYAOC-CALCHBBNSA-N 2 2 330.476 2.283 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946639505 802534529 /nfs/dbraw/zinc/53/45/29/802534529.db2.gz BMQTYERNCTYAOC-CALCHBBNSA-N 2 2 330.476 2.283 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642454 802551853 /nfs/dbraw/zinc/55/18/53/802551853.db2.gz KDTIBBYAIVPOBW-IYBDPMFKSA-N 2 2 336.439 2.370 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642454 802551856 /nfs/dbraw/zinc/55/18/56/802551856.db2.gz KDTIBBYAIVPOBW-IYBDPMFKSA-N 2 2 336.439 2.370 20 30 EEEDLP C=CCOCC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001113716955 809631536 /nfs/dbraw/zinc/63/15/36/809631536.db2.gz LSHMXKJGRCMMHZ-UHFFFAOYSA-N 2 2 349.475 2.082 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001440465457 1093688041 /nfs/dbraw/zinc/68/80/41/1093688041.db2.gz WLXKJORYYWVZRP-OAHLLOKOSA-N 2 2 338.883 2.287 20 30 EEEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001440465457 1093688047 /nfs/dbraw/zinc/68/80/47/1093688047.db2.gz WLXKJORYYWVZRP-OAHLLOKOSA-N 2 2 338.883 2.287 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001446569559 1101053525 /nfs/dbraw/zinc/05/35/25/1101053525.db2.gz XFFZMAMIKGARPU-OAHLLOKOSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001446569559 1101053530 /nfs/dbraw/zinc/05/35/30/1101053530.db2.gz XFFZMAMIKGARPU-OAHLLOKOSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001446569559 1101053533 /nfs/dbraw/zinc/05/35/33/1101053533.db2.gz XFFZMAMIKGARPU-OAHLLOKOSA-N 2 2 346.313 2.208 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001446569559 1101053537 /nfs/dbraw/zinc/05/35/37/1101053537.db2.gz XFFZMAMIKGARPU-OAHLLOKOSA-N 2 2 346.313 2.208 20 30 EEEDLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329277885 539770360 /nfs/dbraw/zinc/77/03/60/539770360.db2.gz CQVGFFCSPSQKFE-INIZCTEOSA-N 2 2 343.475 2.312 20 30 EEEDLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329277885 539770362 /nfs/dbraw/zinc/77/03/62/539770362.db2.gz CQVGFFCSPSQKFE-INIZCTEOSA-N 2 2 343.475 2.312 20 30 EEEDLP Cn1c[nH+]cc1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000459435750 245121096 /nfs/dbraw/zinc/12/10/96/245121096.db2.gz IZEPVSCSYGYPGH-SFHVURJKSA-N 2 2 343.862 2.498 20 30 EEEDLP C#CCCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093412867 218223647 /nfs/dbraw/zinc/22/36/47/218223647.db2.gz RNPYWDYCXUUDKI-UHFFFAOYSA-N 2 2 330.472 2.367 20 30 EEEDLP C#CCCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093412867 218223650 /nfs/dbraw/zinc/22/36/50/218223650.db2.gz RNPYWDYCXUUDKI-UHFFFAOYSA-N 2 2 330.472 2.367 20 30 EEEDLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537159 160241010 /nfs/dbraw/zinc/24/10/10/160241010.db2.gz YDVVIMIRJDIRLP-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537159 160241011 /nfs/dbraw/zinc/24/10/11/160241011.db2.gz YDVVIMIRJDIRLP-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537159 160241012 /nfs/dbraw/zinc/24/10/12/160241012.db2.gz YDVVIMIRJDIRLP-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537159 160241013 /nfs/dbraw/zinc/24/10/13/160241013.db2.gz YDVVIMIRJDIRLP-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000104166568 292765713 /nfs/dbraw/zinc/76/57/13/292765713.db2.gz NOBBYQDUGMEECH-CJNGLKHVSA-N 2 2 338.883 2.416 20 30 EEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000328602270 465066689 /nfs/dbraw/zinc/06/66/89/465066689.db2.gz GTPNZGYUNIVJEV-JKSUJKDBSA-N 2 2 331.464 2.235 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000328883512 465156437 /nfs/dbraw/zinc/15/64/37/465156437.db2.gz XWSQGLZYKVYLMX-OAHLLOKOSA-N 2 2 333.480 2.388 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000358812512 465337227 /nfs/dbraw/zinc/33/72/27/465337227.db2.gz CNULNGYHIQVOIR-UHFFFAOYSA-N 2 2 348.516 2.226 20 30 EEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534862056 468279462 /nfs/dbraw/zinc/27/94/62/468279462.db2.gz FFXLLQRYQUJNNY-UHFFFAOYSA-N 2 2 349.438 2.146 20 30 EEEDLP C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000075766457 462757814 /nfs/dbraw/zinc/75/78/14/462757814.db2.gz WJUSLTBDILCHSN-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000075766457 462757818 /nfs/dbraw/zinc/75/78/18/462757818.db2.gz WJUSLTBDILCHSN-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000075766457 462757822 /nfs/dbraw/zinc/75/78/22/462757822.db2.gz WJUSLTBDILCHSN-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000075766457 462757829 /nfs/dbraw/zinc/75/78/29/462757829.db2.gz WJUSLTBDILCHSN-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383428 464544296 /nfs/dbraw/zinc/54/42/96/464544296.db2.gz BOYWIDWPIWJJEO-YLJYHZDGSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383428 464544302 /nfs/dbraw/zinc/54/43/02/464544302.db2.gz BOYWIDWPIWJJEO-YLJYHZDGSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383428 464544306 /nfs/dbraw/zinc/54/43/06/464544306.db2.gz BOYWIDWPIWJJEO-YLJYHZDGSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383428 464544313 /nfs/dbraw/zinc/54/43/13/464544313.db2.gz BOYWIDWPIWJJEO-YLJYHZDGSA-N 2 2 327.472 2.275 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266920124 464870974 /nfs/dbraw/zinc/87/09/74/464870974.db2.gz LVQUGBMGTPTWLC-NVXWUHKLSA-N 2 2 335.411 2.266 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266920124 464870977 /nfs/dbraw/zinc/87/09/77/464870977.db2.gz LVQUGBMGTPTWLC-NVXWUHKLSA-N 2 2 335.411 2.266 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCC2CCCCC2)cc1 ZINC000267027148 464909020 /nfs/dbraw/zinc/90/90/20/464909020.db2.gz TYARADPAUJNQQO-UHFFFAOYSA-N 2 2 346.475 2.082 20 30 EEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000177331257 464989246 /nfs/dbraw/zinc/98/92/46/464989246.db2.gz FTBRHMLKGJDVCK-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000177331257 464989250 /nfs/dbraw/zinc/98/92/50/464989250.db2.gz FTBRHMLKGJDVCK-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000177331257 464989256 /nfs/dbraw/zinc/98/92/56/464989256.db2.gz FTBRHMLKGJDVCK-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000177331257 464989260 /nfs/dbraw/zinc/98/92/60/464989260.db2.gz FTBRHMLKGJDVCK-MSOLQXFVSA-N 2 2 326.444 2.445 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329609233 465386297 /nfs/dbraw/zinc/38/62/97/465386297.db2.gz NIKQKSKOGFIYGO-RRFJBIMHSA-N 2 2 345.491 2.424 20 30 EEEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329609233 465386302 /nfs/dbraw/zinc/38/63/02/465386302.db2.gz NIKQKSKOGFIYGO-RRFJBIMHSA-N 2 2 345.491 2.424 20 30 EEEDLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000329880415 465461426 /nfs/dbraw/zinc/46/14/26/465461426.db2.gz NMVUDDMYYWSYIT-HUUCEWRRSA-N 2 2 332.448 2.248 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000343250570 465493685 /nfs/dbraw/zinc/49/36/85/465493685.db2.gz ZYYBYHWEQBPCKT-MTQWCTHYSA-N 2 2 335.536 2.432 20 30 EEEDLP [O-]C(NC1CC[NH+](C2CCCCC2)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330184016 465560777 /nfs/dbraw/zinc/56/07/77/465560777.db2.gz IHSQWHOGDHEFDM-INIZCTEOSA-N 2 2 345.491 2.499 20 30 EEEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](C2CCCCC2)CC1 ZINC000330184016 465560780 /nfs/dbraw/zinc/56/07/80/465560780.db2.gz IHSQWHOGDHEFDM-INIZCTEOSA-N 2 2 345.491 2.499 20 30 EEEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](C2CCCC2)CC1 ZINC000330202807 465566574 /nfs/dbraw/zinc/56/65/74/465566574.db2.gz ZUHUNHSFQVKLRX-OAHLLOKOSA-N 2 2 331.464 2.109 20 30 EEEDLP [O-]C(NC1CC[NH+](C2CCCC2)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202807 465566580 /nfs/dbraw/zinc/56/65/80/465566580.db2.gz ZUHUNHSFQVKLRX-OAHLLOKOSA-N 2 2 331.464 2.109 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000364455502 466701195 /nfs/dbraw/zinc/70/11/95/466701195.db2.gz OXRXCYZEIAIKQG-DLBZAZTESA-N 2 2 330.476 2.260 20 30 EEEDLP N#CC1(CCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000369196076 466718360 /nfs/dbraw/zinc/71/83/60/466718360.db2.gz WUODTXPRFCPBLS-SFHVURJKSA-N 2 2 335.492 2.131 20 30 EEEDLP N#CC1(CCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000369196076 466718362 /nfs/dbraw/zinc/71/83/62/466718362.db2.gz WUODTXPRFCPBLS-SFHVURJKSA-N 2 2 335.492 2.131 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn2ccccc2c1C#N ZINC000374421955 467045600 /nfs/dbraw/zinc/04/56/00/467045600.db2.gz QBBUUYKPPRWXEC-LSTHTHJFSA-N 2 2 338.455 2.494 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1C#N ZINC000374421955 467045603 /nfs/dbraw/zinc/04/56/03/467045603.db2.gz QBBUUYKPPRWXEC-LSTHTHJFSA-N 2 2 338.455 2.494 20 30 EEEDLP C[N@H+](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000387506480 467393885 /nfs/dbraw/zinc/39/38/85/467393885.db2.gz YEZLLYDHUHPWGR-LJQANCHMSA-N 2 2 339.439 2.020 20 30 EEEDLP C[N@@H+](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000387506480 467393890 /nfs/dbraw/zinc/39/38/90/467393890.db2.gz YEZLLYDHUHPWGR-LJQANCHMSA-N 2 2 339.439 2.020 20 30 EEEDLP C=CCN(C)CC[N@@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420923925 467514256 /nfs/dbraw/zinc/51/42/56/467514256.db2.gz RGOGHWAFPVRWAZ-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP C=CCN(C)CC[N@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420923925 467514258 /nfs/dbraw/zinc/51/42/58/467514258.db2.gz RGOGHWAFPVRWAZ-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP C=CC[N@@H+](C)CCN(CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420923925 467514260 /nfs/dbraw/zinc/51/42/60/467514260.db2.gz RGOGHWAFPVRWAZ-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP C=CC[N@H+](C)CCN(CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420923925 467514262 /nfs/dbraw/zinc/51/42/62/467514262.db2.gz RGOGHWAFPVRWAZ-UHFFFAOYSA-N 2 2 331.504 2.459 20 30 EEEDLP CC1(C#N)CCC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000449078073 467617066 /nfs/dbraw/zinc/61/70/66/467617066.db2.gz UEIJSJATPCHASS-UHFFFAOYSA-N 2 2 342.491 2.051 20 30 EEEDLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439382 468587641 /nfs/dbraw/zinc/58/76/41/468587641.db2.gz QFQWQWHIPVBFHM-QGZVFWFLSA-N 2 2 344.459 2.177 20 30 EEEDLP N#Cc1ccsc1NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846569 469113384 /nfs/dbraw/zinc/11/33/84/469113384.db2.gz RPLRGCAHOLXGBZ-UHFFFAOYSA-N 2 2 341.440 2.166 20 30 EEEDLP N#Cc1ccsc1NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846569 469113388 /nfs/dbraw/zinc/11/33/88/469113388.db2.gz RPLRGCAHOLXGBZ-UHFFFAOYSA-N 2 2 341.440 2.166 20 30 EEEDLP N#Cc1cccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000602565234 469362561 /nfs/dbraw/zinc/36/25/61/469362561.db2.gz DJYZHRPVDNJPIT-UHFFFAOYSA-N 2 2 328.460 2.326 20 30 EEEDLP C=CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000660714119 471458244 /nfs/dbraw/zinc/45/82/44/471458244.db2.gz XMWTZFWNIXVXDN-SJORKVTESA-N 2 2 334.508 2.153 20 30 EEEDLP C=CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000660714119 471458247 /nfs/dbraw/zinc/45/82/47/471458247.db2.gz XMWTZFWNIXVXDN-SJORKVTESA-N 2 2 334.508 2.153 20 30 EEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000093664749 526871870 /nfs/dbraw/zinc/87/18/70/526871870.db2.gz DBBCLMFXNPQLRS-SFHVURJKSA-N 2 2 346.471 2.414 20 30 EEEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000093664749 526871875 /nfs/dbraw/zinc/87/18/75/526871875.db2.gz DBBCLMFXNPQLRS-SFHVURJKSA-N 2 2 346.471 2.414 20 30 EEEDLP C=CCCCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000193354960 527133619 /nfs/dbraw/zinc/13/36/19/527133619.db2.gz XDOLWIYKIXGIQF-UHFFFAOYSA-N 2 2 345.491 2.182 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH+]1CCc2ccccc2C1 ZINC000730097211 576714525 /nfs/dbraw/zinc/71/45/25/576714525.db2.gz HPOZHHHNMGBMFT-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH+]1CCc2ccccc2C1 ZINC000730097211 576714527 /nfs/dbraw/zinc/71/45/27/576714527.db2.gz HPOZHHHNMGBMFT-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000730097211 576714529 /nfs/dbraw/zinc/71/45/29/576714529.db2.gz HPOZHHHNMGBMFT-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000730097211 576714531 /nfs/dbraw/zinc/71/45/31/576714531.db2.gz HPOZHHHNMGBMFT-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000775523330 577438919 /nfs/dbraw/zinc/43/89/19/577438919.db2.gz GPTQQDJQLXATRN-HXUWFJFHSA-N 2 2 341.499 2.449 20 30 EEEDLP C#C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCCO1 ZINC000775573448 577439921 /nfs/dbraw/zinc/43/99/21/577439921.db2.gz YMHYBHQNBOWURS-VQTJNVASSA-N 2 2 327.472 2.492 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3cccc(Cl)c3)cn2)CC1 ZINC000755770664 577830743 /nfs/dbraw/zinc/83/07/43/577830743.db2.gz NVFVSVCTKFXKMA-UHFFFAOYSA-N 2 2 344.850 2.006 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000969910904 675300724 /nfs/dbraw/zinc/30/07/24/675300724.db2.gz LKKIWCOWLDBBIT-SJORKVTESA-N 2 2 349.438 2.092 20 30 EEEDLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1)n1cc[nH+]c1 ZINC000970131167 675546170 /nfs/dbraw/zinc/54/61/70/675546170.db2.gz YIRSZYNXULECQR-CRAIPNDOSA-N 2 2 337.427 2.097 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447444 679313797 /nfs/dbraw/zinc/31/37/97/679313797.db2.gz NMHDZURYRFDNIU-LSDHHAIUSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447444 679313799 /nfs/dbraw/zinc/31/37/99/679313799.db2.gz NMHDZURYRFDNIU-LSDHHAIUSA-N 2 2 336.867 2.026 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023681937 679477324 /nfs/dbraw/zinc/47/73/24/679477324.db2.gz SXIHAJGEYIKFAW-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023681937 679477325 /nfs/dbraw/zinc/47/73/25/679477325.db2.gz SXIHAJGEYIKFAW-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001028605702 681360948 /nfs/dbraw/zinc/36/09/48/681360948.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001028605702 681360955 /nfs/dbraw/zinc/36/09/55/681360955.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001028605702 681360962 /nfs/dbraw/zinc/36/09/62/681360962.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001028605702 681360966 /nfs/dbraw/zinc/36/09/66/681360966.db2.gz DCWLHZNASSZGKU-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641539 681491724 /nfs/dbraw/zinc/49/17/24/681491724.db2.gz HKOLFSNWNFOEML-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641539 681491727 /nfs/dbraw/zinc/49/17/27/681491727.db2.gz HKOLFSNWNFOEML-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641539 681491730 /nfs/dbraw/zinc/49/17/30/681491730.db2.gz HKOLFSNWNFOEML-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641539 681491734 /nfs/dbraw/zinc/49/17/34/681491734.db2.gz HKOLFSNWNFOEML-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982605345 681782711 /nfs/dbraw/zinc/78/27/11/681782711.db2.gz KWIRRKAFDWXCLV-YTQUADARSA-N 2 2 328.460 2.028 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025252988 682341245 /nfs/dbraw/zinc/34/12/45/682341245.db2.gz RVGRXOHYBHWZJQ-MSOLQXFVSA-N 2 2 342.487 2.222 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025252988 682341248 /nfs/dbraw/zinc/34/12/48/682341248.db2.gz RVGRXOHYBHWZJQ-MSOLQXFVSA-N 2 2 342.487 2.222 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421929 682727146 /nfs/dbraw/zinc/72/71/46/682727146.db2.gz FVNSWPSHOCDGMU-FUHWJXTLSA-N 2 2 338.455 2.496 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421929 682727150 /nfs/dbraw/zinc/72/71/50/682727150.db2.gz FVNSWPSHOCDGMU-FUHWJXTLSA-N 2 2 338.455 2.496 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001025595586 683066738 /nfs/dbraw/zinc/06/67/38/683066738.db2.gz PPQKGHUNTXNBHS-HOTGVXAUSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001025595586 683066741 /nfs/dbraw/zinc/06/67/41/683066741.db2.gz PPQKGHUNTXNBHS-HOTGVXAUSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000985732532 687579903 /nfs/dbraw/zinc/57/99/03/687579903.db2.gz OACOGYLNKUSALG-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000985732532 687579907 /nfs/dbraw/zinc/57/99/07/687579907.db2.gz OACOGYLNKUSALG-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598679 693396039 /nfs/dbraw/zinc/39/60/39/693396039.db2.gz YHRQMACPUSKCTL-CQSZACIVSA-N 2 2 343.456 2.008 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027598679 693396045 /nfs/dbraw/zinc/39/60/45/693396045.db2.gz YHRQMACPUSKCTL-CQSZACIVSA-N 2 2 343.456 2.008 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001481748656 1182527371 /nfs/dbraw/zinc/52/73/71/1182527371.db2.gz JQWHRVACDKFWRM-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001481748656 1182527376 /nfs/dbraw/zinc/52/73/76/1182527376.db2.gz JQWHRVACDKFWRM-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001481748656 1182527382 /nfs/dbraw/zinc/52/73/82/1182527382.db2.gz JQWHRVACDKFWRM-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001481748656 1182527386 /nfs/dbraw/zinc/52/73/86/1182527386.db2.gz JQWHRVACDKFWRM-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088354728 1186664809 /nfs/dbraw/zinc/66/48/09/1186664809.db2.gz DVTZBQAVKUQUJF-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2F)[C@@H]1C ZINC001088630988 1188019289 /nfs/dbraw/zinc/01/92/89/1188019289.db2.gz LOBVPBYNTXWMHR-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2F)[C@@H]1C ZINC001088630988 1188019291 /nfs/dbraw/zinc/01/92/91/1188019291.db2.gz LOBVPBYNTXWMHR-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2F)[C@@H]1C ZINC001088630988 1188019294 /nfs/dbraw/zinc/01/92/94/1188019294.db2.gz LOBVPBYNTXWMHR-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2F)[C@@H]1C ZINC001088630988 1188019296 /nfs/dbraw/zinc/01/92/96/1188019296.db2.gz LOBVPBYNTXWMHR-MNEFBYGVSA-N 2 2 343.446 2.002 20 30 EEEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105574930 1188188855 /nfs/dbraw/zinc/18/88/55/1188188855.db2.gz MNUJYSCXSBIYKN-SFHVURJKSA-N 2 2 342.487 2.127 20 30 EEEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584175 1188193246 /nfs/dbraw/zinc/19/32/46/1188193246.db2.gz FERSXGJIMAVGDY-QGZVFWFLSA-N 2 2 328.460 2.047 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815819 1194436358 /nfs/dbraw/zinc/43/63/58/1194436358.db2.gz QFYVCOBLEKBLMS-YESZJQIVSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815819 1194436360 /nfs/dbraw/zinc/43/63/60/1194436360.db2.gz QFYVCOBLEKBLMS-YESZJQIVSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815819 1194436362 /nfs/dbraw/zinc/43/63/62/1194436362.db2.gz QFYVCOBLEKBLMS-YESZJQIVSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815819 1194436365 /nfs/dbraw/zinc/43/63/65/1194436365.db2.gz QFYVCOBLEKBLMS-YESZJQIVSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877573 1195416021 /nfs/dbraw/zinc/41/60/21/1195416021.db2.gz KEPXEFGZVHOAKY-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP 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MJKIKJSEMBMWPR-CVEARBPZSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001228440363 1302264338 /nfs/dbraw/zinc/26/43/38/1302264338.db2.gz GZIHERNKYINIDF-LJQANCHMSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001228440363 1302264340 /nfs/dbraw/zinc/26/43/40/1302264340.db2.gz GZIHERNKYINIDF-LJQANCHMSA-N 2 2 349.519 2.034 20 30 EEEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725295 1305673487 /nfs/dbraw/zinc/67/34/87/1305673487.db2.gz TVLHLJVQFCEUSA-OAHLLOKOSA-N 2 2 328.460 2.262 20 30 EEEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001121318377 1309978778 /nfs/dbraw/zinc/97/87/78/1309978778.db2.gz GTLCGRJFTVCEGI-UEBDJUODSA-N 2 2 342.487 2.429 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001122055414 1310210506 /nfs/dbraw/zinc/21/05/06/1310210506.db2.gz CKSFJHJCEPYECL-DKWICNMVSA-N 2 2 330.476 2.334 20 30 EEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001122254403 1310247935 /nfs/dbraw/zinc/24/79/35/1310247935.db2.gz KKROPXWBNTWCFM-QAELIBMJSA-N 2 2 342.487 2.277 20 30 EEEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155563733 1317653409 /nfs/dbraw/zinc/65/34/09/1317653409.db2.gz KJAOQQVWKLUBDT-QGZVFWFLSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155563733 1317653412 /nfs/dbraw/zinc/65/34/12/1317653412.db2.gz KJAOQQVWKLUBDT-QGZVFWFLSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374542 1317985247 /nfs/dbraw/zinc/98/52/47/1317985247.db2.gz RRZAWOGTNWBKCY-ZIAGYGMSSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374542 1317985248 /nfs/dbraw/zinc/98/52/48/1317985248.db2.gz RRZAWOGTNWBKCY-ZIAGYGMSSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374542 1317985239 /nfs/dbraw/zinc/98/52/39/1317985239.db2.gz RRZAWOGTNWBKCY-ZIAGYGMSSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374542 1317985244 /nfs/dbraw/zinc/98/52/44/1317985244.db2.gz RRZAWOGTNWBKCY-ZIAGYGMSSA-N 2 2 346.313 2.063 20 30 EEEDLP C[Si](C)(C)C#Cc1cccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158262385 1319122825 /nfs/dbraw/zinc/12/28/25/1319122825.db2.gz SAVVPMJLOOKOBZ-KRWDZBQOSA-N 2 2 342.563 2.312 20 30 EEEDLP C[Si](C)(C)C#Cc1cccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158262385 1319122839 /nfs/dbraw/zinc/12/28/39/1319122839.db2.gz SAVVPMJLOOKOBZ-KRWDZBQOSA-N 2 2 342.563 2.312 20 30 EEEDLP N#Cc1cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc(C2C[NH2+]C2)c1 ZINC001159261248 1319710180 /nfs/dbraw/zinc/71/01/80/1319710180.db2.gz CJXQAILANWDEJG-UHFFFAOYSA-N 3 2 348.454 2.311 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)(COC)CC1 ZINC001162295917 1320812135 /nfs/dbraw/zinc/81/21/35/1320812135.db2.gz MDWRUJGZDYGZMX-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)(COC)CC1 ZINC001162295917 1320812139 /nfs/dbraw/zinc/81/21/39/1320812139.db2.gz MDWRUJGZDYGZMX-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205691957 1323248220 /nfs/dbraw/zinc/24/82/20/1323248220.db2.gz KEYYLPJPDIEKNF-FUHWJXTLSA-N 2 2 342.418 2.183 20 30 EEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001112438466 1371442765 /nfs/dbraw/zinc/44/27/65/1371442765.db2.gz FYPFZVIGZYCRHA-ZWOKBUDYSA-N 2 2 342.487 2.240 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001392734855 1390181129 /nfs/dbraw/zinc/18/11/29/1390181129.db2.gz IHPAANIXQKWRGV-ZBFHGGJFSA-N 2 2 338.883 2.370 20 30 EEEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001754968718 1407014720 /nfs/dbraw/zinc/01/47/20/1407014720.db2.gz JRLUVHIGOCEURW-QGZVFWFLSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754968718 1407014731 /nfs/dbraw/zinc/01/47/31/1407014731.db2.gz JRLUVHIGOCEURW-QGZVFWFLSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001754968718 1407014739 /nfs/dbraw/zinc/01/47/39/1407014739.db2.gz JRLUVHIGOCEURW-QGZVFWFLSA-N 2 2 337.508 2.033 20 30 EEEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001754968718 1407014745 /nfs/dbraw/zinc/01/47/45/1407014745.db2.gz JRLUVHIGOCEURW-QGZVFWFLSA-N 2 2 337.508 2.033 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001423606767 1400682583 /nfs/dbraw/zinc/68/25/83/1400682583.db2.gz IUDKYPPQUOZFNO-ZDUSSCGKSA-N 2 2 326.872 2.226 20 30 EEEDLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001575444382 1403550037 /nfs/dbraw/zinc/55/00/37/1403550037.db2.gz JTPHKPINCPFJLQ-SFHVURJKSA-N 2 2 342.487 2.212 20 30 EEEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001755376434 1407379505 /nfs/dbraw/zinc/37/95/05/1407379505.db2.gz DCZNXVPJMCRXBP-KBXCAEBGSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001755376434 1407379517 /nfs/dbraw/zinc/37/95/17/1407379517.db2.gz DCZNXVPJMCRXBP-KBXCAEBGSA-N 2 2 345.491 2.193 20 30 EEEDLP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001755707546 1407759724 /nfs/dbraw/zinc/75/97/24/1407759724.db2.gz SXFJAFRLAYLWBH-UWWQBHOKSA-N 2 2 336.439 2.417 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3COCC[N@H+]3CCCC)C2)C1 ZINC001121474856 1410228362 /nfs/dbraw/zinc/22/83/62/1410228362.db2.gz MPBJVZRZLYGBPU-WZXTXQKWSA-N 2 2 349.519 2.080 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3COCC[N@@H+]3CCCC)C2)C1 ZINC001121474856 1410228369 /nfs/dbraw/zinc/22/83/69/1410228369.db2.gz MPBJVZRZLYGBPU-WZXTXQKWSA-N 2 2 349.519 2.080 20 30 EEEDLP C#CCC[NH2+]CC1(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001167455876 759610376 /nfs/dbraw/zinc/61/03/76/759610376.db2.gz GWMKPDRFHAERTO-UHFFFAOYSA-N 2 2 338.455 2.085 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087312199 761579851 /nfs/dbraw/zinc/57/98/51/761579851.db2.gz APAXGJVPUJOKCA-KBAYOESNSA-N 2 2 330.476 2.144 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087312199 761579859 /nfs/dbraw/zinc/57/98/59/761579859.db2.gz APAXGJVPUJOKCA-KBAYOESNSA-N 2 2 330.476 2.144 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538788 782654753 /nfs/dbraw/zinc/65/47/53/782654753.db2.gz WIGZLQBVFCKBGB-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538788 782654756 /nfs/dbraw/zinc/65/47/56/782654756.db2.gz WIGZLQBVFCKBGB-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214701 783068780 /nfs/dbraw/zinc/06/87/80/783068780.db2.gz YBJZISHQFQLOAC-QYZOEREBSA-N 2 2 342.487 2.041 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214701 783068785 /nfs/dbraw/zinc/06/87/85/783068785.db2.gz YBJZISHQFQLOAC-QYZOEREBSA-N 2 2 342.487 2.041 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089652337 773845169 /nfs/dbraw/zinc/84/51/69/773845169.db2.gz CKVBCPCVRIOPPK-MSOLQXFVSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089652337 773845175 /nfs/dbraw/zinc/84/51/75/773845175.db2.gz CKVBCPCVRIOPPK-MSOLQXFVSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089652337 773845180 /nfs/dbraw/zinc/84/51/80/773845180.db2.gz CKVBCPCVRIOPPK-MSOLQXFVSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089652337 773845185 /nfs/dbraw/zinc/84/51/85/773845185.db2.gz CKVBCPCVRIOPPK-MSOLQXFVSA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089652711 773850783 /nfs/dbraw/zinc/85/07/83/773850783.db2.gz KNXQZTWRHGLEPI-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089652711 773850787 /nfs/dbraw/zinc/85/07/87/773850787.db2.gz KNXQZTWRHGLEPI-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089652711 773850791 /nfs/dbraw/zinc/85/07/91/773850791.db2.gz KNXQZTWRHGLEPI-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089652711 773850793 /nfs/dbraw/zinc/85/07/93/773850793.db2.gz KNXQZTWRHGLEPI-MOPGFXCFSA-N 2 2 345.531 2.491 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980138543 773927743 /nfs/dbraw/zinc/92/77/43/773927743.db2.gz AXIUWIYBHZLUAS-GVDBMIGSSA-N 2 2 336.439 2.188 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980138543 773927747 /nfs/dbraw/zinc/92/77/47/773927747.db2.gz AXIUWIYBHZLUAS-GVDBMIGSSA-N 2 2 336.439 2.188 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001031742522 774206103 /nfs/dbraw/zinc/20/61/03/774206103.db2.gz JCBXHVJIEIPKQD-KXBFYZLASA-N 2 2 343.446 2.032 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001031742522 774206108 /nfs/dbraw/zinc/20/61/08/774206108.db2.gz JCBXHVJIEIPKQD-KXBFYZLASA-N 2 2 343.446 2.032 20 30 EEEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC000981953301 778652310 /nfs/dbraw/zinc/65/23/10/778652310.db2.gz MANFOBSPZWUDPC-KRWDZBQOSA-N 2 2 340.471 2.077 20 30 EEEDLP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC000981953301 778652311 /nfs/dbraw/zinc/65/23/11/778652311.db2.gz MANFOBSPZWUDPC-KRWDZBQOSA-N 2 2 340.471 2.077 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981953301 778652315 /nfs/dbraw/zinc/65/23/15/778652315.db2.gz MANFOBSPZWUDPC-KRWDZBQOSA-N 2 2 340.471 2.077 20 30 EEEDLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981953301 778652317 /nfs/dbraw/zinc/65/23/17/778652317.db2.gz MANFOBSPZWUDPC-KRWDZBQOSA-N 2 2 340.471 2.077 20 30 EEEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035210406 784126228 /nfs/dbraw/zinc/12/62/28/784126228.db2.gz XNLFDNCXRLBKPO-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035210406 784126230 /nfs/dbraw/zinc/12/62/30/784126230.db2.gz XNLFDNCXRLBKPO-UHFFFAOYSA-N 2 2 330.476 2.243 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)CC2 ZINC001035258057 784209091 /nfs/dbraw/zinc/20/90/91/784209091.db2.gz LDWBRDHQBXPFGE-GOSISDBHSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)CC2 ZINC001035258057 784209099 /nfs/dbraw/zinc/20/90/99/784209099.db2.gz LDWBRDHQBXPFGE-GOSISDBHSA-N 2 2 342.487 2.185 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C#Cc3cccs3)CC2)CC1 ZINC000817656980 784879515 /nfs/dbraw/zinc/87/95/15/784879515.db2.gz SPVNKAVUBDDKAY-UHFFFAOYSA-N 2 2 345.512 2.118 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C#Cc3cccs3)CC2)CC1 ZINC000817656980 784879519 /nfs/dbraw/zinc/87/95/19/784879519.db2.gz SPVNKAVUBDDKAY-UHFFFAOYSA-N 2 2 345.512 2.118 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC001035736271 785045592 /nfs/dbraw/zinc/04/55/92/785045592.db2.gz TUYTYYHJSLZOSB-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098820346 787263936 /nfs/dbraw/zinc/26/39/36/787263936.db2.gz IDIZYNGRUIWAJV-AEFFLSMTSA-N 2 2 342.487 2.363 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000997136894 789063576 /nfs/dbraw/zinc/06/35/76/789063576.db2.gz IHIWOZOIZPZDEB-UHFFFAOYSA-N 2 2 345.834 2.214 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998043834 791874640 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CDPPOPSSEIBZOS-QUCCMNQESA-N 2 2 349.438 2.017 20 30 EEEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967361 806307327 /nfs/dbraw/zinc/30/73/27/806307327.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 2 2 339.483 2.424 20 30 EEEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967361 806307337 /nfs/dbraw/zinc/30/73/37/806307337.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 2 2 339.483 2.424 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967361 806307347 /nfs/dbraw/zinc/30/73/47/806307347.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 2 2 339.483 2.424 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109967361 806307358 /nfs/dbraw/zinc/30/73/58/806307358.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 2 2 339.483 2.424 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747880 794295177 /nfs/dbraw/zinc/29/51/77/794295177.db2.gz JPQLDJILHCBFIR-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747880 794295180 /nfs/dbraw/zinc/29/51/80/794295180.db2.gz JPQLDJILHCBFIR-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748686 794296329 /nfs/dbraw/zinc/29/63/29/794296329.db2.gz IUPLXNHZGRPCIZ-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748686 794296334 /nfs/dbraw/zinc/29/63/34/794296334.db2.gz IUPLXNHZGRPCIZ-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748686 794296339 /nfs/dbraw/zinc/29/63/39/794296339.db2.gz IUPLXNHZGRPCIZ-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748686 794296345 /nfs/dbraw/zinc/29/63/45/794296345.db2.gz IUPLXNHZGRPCIZ-FVQBIDKESA-N 2 2 330.476 2.083 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001079212183 794493194 /nfs/dbraw/zinc/49/31/94/794493194.db2.gz NDADLKSBCATYGA-ZWKOTPCHSA-N 2 2 342.418 2.183 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452699 796261870 /nfs/dbraw/zinc/26/18/70/796261870.db2.gz AJHZAOFCOGGOTC-ILZDJORESA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452699 796261876 /nfs/dbraw/zinc/26/18/76/796261876.db2.gz AJHZAOFCOGGOTC-ILZDJORESA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080704607 796336319 /nfs/dbraw/zinc/33/63/19/796336319.db2.gz BBPACZYVAVSTSX-CZUORRHYSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080704607 796336321 /nfs/dbraw/zinc/33/63/21/796336321.db2.gz BBPACZYVAVSTSX-CZUORRHYSA-N 2 2 327.900 2.296 20 30 EEEDLP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175477017 798117516 /nfs/dbraw/zinc/11/75/16/798117516.db2.gz CZMWCHBZFDIVBA-QGZVFWFLSA-N 2 2 338.455 2.269 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085249620 800286465 /nfs/dbraw/zinc/28/64/65/800286465.db2.gz LBKUEWFXVXRHNX-RRFJBIMHSA-N 2 2 336.867 2.215 20 30 EEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC001180208475 800310765 /nfs/dbraw/zinc/31/07/65/800310765.db2.gz ZIZMVPZGGWHBBK-HOCLYGCPSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC001180208475 800310766 /nfs/dbraw/zinc/31/07/66/800310766.db2.gz ZIZMVPZGGWHBBK-HOCLYGCPSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181952118 800974282 /nfs/dbraw/zinc/97/42/82/800974282.db2.gz QNFSEGFBCXTAGI-JTDSTZFVSA-N 2 2 330.476 2.096 20 30 EEEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)[NH+](C)C 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/nfs/dbraw/zinc/40/13/63/807401363.db2.gz UBAFDAGQCJCGSX-UHFFFAOYSA-N 2 2 333.520 2.445 20 30 EEEDLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001170503021 811793181 /nfs/dbraw/zinc/79/31/81/811793181.db2.gz AAGKHCLJXLHQHI-MJGOQNOKSA-N 2 2 341.455 2.454 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001438245757 1090728263 /nfs/dbraw/zinc/72/82/63/1090728263.db2.gz KKFMMKUEVMHSIM-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001438245757 1090728265 /nfs/dbraw/zinc/72/82/65/1090728265.db2.gz KKFMMKUEVMHSIM-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001438245757 1090728268 /nfs/dbraw/zinc/72/82/68/1090728268.db2.gz KKFMMKUEVMHSIM-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001438245757 1090728274 /nfs/dbraw/zinc/72/82/74/1090728274.db2.gz KKFMMKUEVMHSIM-QGZVFWFLSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001464867501 1110405988 /nfs/dbraw/zinc/40/59/88/1110405988.db2.gz BQMHJIRTOGSCJU-LJQANCHMSA-N 2 2 342.487 2.168 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001464867501 1110405989 /nfs/dbraw/zinc/40/59/89/1110405989.db2.gz BQMHJIRTOGSCJU-LJQANCHMSA-N 2 2 342.487 2.168 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630532 781976639 /nfs/dbraw/zinc/97/66/39/781976639.db2.gz NIEVXBRFPFQLQE-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630532 781976646 /nfs/dbraw/zinc/97/66/46/781976646.db2.gz NIEVXBRFPFQLQE-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630532 781976654 /nfs/dbraw/zinc/97/66/54/781976654.db2.gz NIEVXBRFPFQLQE-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630532 781976658 /nfs/dbraw/zinc/97/66/58/781976658.db2.gz NIEVXBRFPFQLQE-QILLFSRXSA-N 2 2 330.476 2.368 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684601 269008279 /nfs/dbraw/zinc/00/82/79/269008279.db2.gz WAHSFSHHHLHWDC-APWZRJJASA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684601 269008282 /nfs/dbraw/zinc/00/82/82/269008282.db2.gz WAHSFSHHHLHWDC-APWZRJJASA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684601 269008284 /nfs/dbraw/zinc/00/82/84/269008284.db2.gz WAHSFSHHHLHWDC-APWZRJJASA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684601 269008286 /nfs/dbraw/zinc/00/82/86/269008286.db2.gz WAHSFSHHHLHWDC-APWZRJJASA-N 2 2 335.455 2.485 20 30 EEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367318310 278305587 /nfs/dbraw/zinc/30/55/87/278305587.db2.gz FOHNTMIQVUPHCQ-KDOFPFPSSA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367318310 278305590 /nfs/dbraw/zinc/30/55/90/278305590.db2.gz FOHNTMIQVUPHCQ-KDOFPFPSSA-N 2 2 326.444 2.033 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397621 279088171 /nfs/dbraw/zinc/08/81/71/279088171.db2.gz GVQVOWXHJZCNGB-MRXNPFEDSA-N 2 2 328.460 2.105 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC[C@H]3CCCO3)CC2)cc1 ZINC000540593735 318076064 /nfs/dbraw/zinc/07/60/64/318076064.db2.gz OXLMAFYVVOFJDO-HXUWFJFHSA-N 2 2 343.471 2.308 20 30 EEEDLP C[NH+]1CCC2(CCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000329049996 465217494 /nfs/dbraw/zinc/21/74/94/465217494.db2.gz GXUNCTYHJVLDPI-UHFFFAOYSA-N 2 2 331.464 2.194 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)CC1 ZINC000296509147 465218686 /nfs/dbraw/zinc/21/86/86/465218686.db2.gz SNRIHUSMYLMZBE-HNNXBMFYSA-N 2 2 331.464 2.163 20 30 EEEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)cc1Cl ZINC000075583731 462735672 /nfs/dbraw/zinc/73/56/72/462735672.db2.gz NFNSNTFMRZPZER-UHFFFAOYSA-N 2 2 340.855 2.186 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779601 463251058 /nfs/dbraw/zinc/25/10/58/463251058.db2.gz YWMZMSKWHAPRCP-MJGOQNOKSA-N 2 2 340.471 2.349 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779601 463251062 /nfs/dbraw/zinc/25/10/62/463251062.db2.gz YWMZMSKWHAPRCP-MJGOQNOKSA-N 2 2 340.471 2.349 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779601 463251066 /nfs/dbraw/zinc/25/10/66/463251066.db2.gz YWMZMSKWHAPRCP-MJGOQNOKSA-N 2 2 340.471 2.349 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779601 463251068 /nfs/dbraw/zinc/25/10/68/463251068.db2.gz YWMZMSKWHAPRCP-MJGOQNOKSA-N 2 2 340.471 2.349 20 30 EEEDLP C=CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179317749 464105130 /nfs/dbraw/zinc/10/51/30/464105130.db2.gz RSIBFQUXZDSMKX-UHFFFAOYSA-N 2 2 344.503 2.410 20 30 EEEDLP C=C(C)CNC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264086353 464281261 /nfs/dbraw/zinc/28/12/61/464281261.db2.gz JNLJVNKBORDYBF-UHFFFAOYSA-N 2 2 343.519 2.065 20 30 EEEDLP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000173616513 464294917 /nfs/dbraw/zinc/29/49/17/464294917.db2.gz STBMLNIJENJSLX-SFHVURJKSA-N 2 2 326.444 2.126 20 30 EEEDLP COCCOCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271837898 464393269 /nfs/dbraw/zinc/39/32/69/464393269.db2.gz GFIJULQIBZZIKB-UHFFFAOYSA-N 2 2 331.460 2.165 20 30 EEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247006262 464642469 /nfs/dbraw/zinc/64/24/69/464642469.db2.gz BUFKRDBMNPVRBT-MAUKXSAKSA-N 2 2 331.464 2.137 20 30 EEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247006262 464642472 /nfs/dbraw/zinc/64/24/72/464642472.db2.gz BUFKRDBMNPVRBT-MAUKXSAKSA-N 2 2 331.464 2.137 20 30 EEEDLP C=CCN(CCc1ccco1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000272592533 464672894 /nfs/dbraw/zinc/67/28/94/464672894.db2.gz OFECTVKRHZYVQR-UHFFFAOYSA-N 2 2 348.491 2.046 20 30 EEEDLP C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267038674 464912204 /nfs/dbraw/zinc/91/22/04/464912204.db2.gz YFIOSWBLNMHWLX-GASCZTMLSA-N 2 2 346.475 2.175 20 30 EEEDLP CC(C)(C)CC[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330268820 465591249 /nfs/dbraw/zinc/59/12/49/465591249.db2.gz IWSUHMGKXKLTHQ-HNNXBMFYSA-N 2 2 333.480 2.166 20 30 EEEDLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000330320085 465611676 /nfs/dbraw/zinc/61/16/76/465611676.db2.gz DVDJKNASOWLSMF-NVXWUHKLSA-N 2 2 349.479 2.018 20 30 EEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859964 465833781 /nfs/dbraw/zinc/83/37/81/465833781.db2.gz KJDHAAKTOMXSPY-DLBZAZTESA-N 2 2 334.508 2.476 20 30 EEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859964 465833792 /nfs/dbraw/zinc/83/37/92/465833792.db2.gz KJDHAAKTOMXSPY-DLBZAZTESA-N 2 2 334.508 2.476 20 30 EEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859964 465833800 /nfs/dbraw/zinc/83/38/00/465833800.db2.gz KJDHAAKTOMXSPY-DLBZAZTESA-N 2 2 334.508 2.476 20 30 EEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859964 465833810 /nfs/dbraw/zinc/83/38/10/465833810.db2.gz KJDHAAKTOMXSPY-DLBZAZTESA-N 2 2 334.508 2.476 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591728153 468511130 /nfs/dbraw/zinc/51/11/30/468511130.db2.gz LMYIIKPNZMHRTP-QGZVFWFLSA-N 2 2 349.500 2.042 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591728153 468511132 /nfs/dbraw/zinc/51/11/32/468511132.db2.gz LMYIIKPNZMHRTP-QGZVFWFLSA-N 2 2 349.500 2.042 20 30 EEEDLP 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C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001042067030 1231865630 /nfs/dbraw/zinc/86/56/30/1231865630.db2.gz NJWTUISJWRXYNA-AEFFLSMTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001042067030 1231865631 /nfs/dbraw/zinc/86/56/31/1231865631.db2.gz NJWTUISJWRXYNA-AEFFLSMTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001046330655 1234674482 /nfs/dbraw/zinc/67/44/82/1234674482.db2.gz PEGPVEIFNSOFAC-PKOBYXMFSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001046330655 1234674483 /nfs/dbraw/zinc/67/44/83/1234674483.db2.gz PEGPVEIFNSOFAC-PKOBYXMFSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046330655 1234674484 /nfs/dbraw/zinc/67/44/84/1234674484.db2.gz PEGPVEIFNSOFAC-PKOBYXMFSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046330655 1234674485 /nfs/dbraw/zinc/67/44/85/1234674485.db2.gz PEGPVEIFNSOFAC-PKOBYXMFSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561986 1234941000 /nfs/dbraw/zinc/94/10/00/1234941000.db2.gz KVUOAXQULYJPLP-NVXWUHKLSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561986 1234940994 /nfs/dbraw/zinc/94/09/94/1234940994.db2.gz KVUOAXQULYJPLP-NVXWUHKLSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561986 1234940996 /nfs/dbraw/zinc/94/09/96/1234940996.db2.gz KVUOAXQULYJPLP-NVXWUHKLSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561986 1234940998 /nfs/dbraw/zinc/94/09/98/1234940998.db2.gz KVUOAXQULYJPLP-NVXWUHKLSA-N 2 2 327.900 2.442 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001046763747 1235161574 /nfs/dbraw/zinc/16/15/74/1235161574.db2.gz BTGVNMXDNCJPFT-GOSISDBHSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001046763747 1235161576 /nfs/dbraw/zinc/16/15/76/1235161576.db2.gz BTGVNMXDNCJPFT-GOSISDBHSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001047262468 1235771180 /nfs/dbraw/zinc/77/11/80/1235771180.db2.gz QGWIGAVEPUPNEA-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001000978623 1241363229 /nfs/dbraw/zinc/36/32/29/1241363229.db2.gz JKMGWHGTVJEQKC-INIZCTEOSA-N 2 2 333.501 2.263 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001000978623 1241363243 /nfs/dbraw/zinc/36/32/43/1241363243.db2.gz JKMGWHGTVJEQKC-INIZCTEOSA-N 2 2 333.501 2.263 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049556796 1241402204 /nfs/dbraw/zinc/40/22/04/1241402204.db2.gz YRLNIIBXTDBJFG-RYQLBKOJSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049556796 1241402211 /nfs/dbraw/zinc/40/22/11/1241402211.db2.gz YRLNIIBXTDBJFG-RYQLBKOJSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049558890 1241414906 /nfs/dbraw/zinc/41/49/06/1241414906.db2.gz UDMVSUAAFFHLIG-KZNAEPCWSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049558890 1241414912 /nfs/dbraw/zinc/41/49/12/1241414912.db2.gz UDMVSUAAFFHLIG-KZNAEPCWSA-N 2 2 342.487 2.477 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049820811 1242305384 /nfs/dbraw/zinc/30/53/84/1242305384.db2.gz OEUQLMOMTMWOMD-RBUKOAKNSA-N 2 2 334.423 2.184 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049820811 1242305392 /nfs/dbraw/zinc/30/53/92/1242305392.db2.gz OEUQLMOMTMWOMD-RBUKOAKNSA-N 2 2 334.423 2.184 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001050104707 1242879690 /nfs/dbraw/zinc/87/96/90/1242879690.db2.gz QRJCYILXKVDJQI-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001050104707 1242879702 /nfs/dbraw/zinc/87/97/02/1242879702.db2.gz QRJCYILXKVDJQI-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052793606 1245001379 /nfs/dbraw/zinc/00/13/79/1245001379.db2.gz BZBPHHZIGRFKLS-KRWDZBQOSA-N 2 2 338.455 2.179 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052793606 1245001386 /nfs/dbraw/zinc/00/13/86/1245001386.db2.gz BZBPHHZIGRFKLS-KRWDZBQOSA-N 2 2 338.455 2.179 20 30 EEEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001051255081 1245445391 /nfs/dbraw/zinc/44/53/91/1245445391.db2.gz NQWNHUBECOHWJZ-GOSISDBHSA-N 2 2 345.487 2.145 20 30 EEEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001051255081 1245445396 /nfs/dbraw/zinc/44/53/96/1245445396.db2.gz NQWNHUBECOHWJZ-GOSISDBHSA-N 2 2 345.487 2.145 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053106628 1245924494 /nfs/dbraw/zinc/92/44/94/1245924494.db2.gz UYTLZCYHXOKYTJ-MJGOQNOKSA-N 2 2 342.487 2.079 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053106628 1245924500 /nfs/dbraw/zinc/92/45/00/1245924500.db2.gz UYTLZCYHXOKYTJ-MJGOQNOKSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001101558818 1245961601 /nfs/dbraw/zinc/96/16/01/1245961601.db2.gz IFERUGHATPFQNA-UHFFFAOYSA-N 2 2 344.503 2.230 20 30 EEEDLP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001054045130 1247221445 /nfs/dbraw/zinc/22/14/45/1247221445.db2.gz KXKQKMAZOSJDRZ-WOJBJXKFSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001054045130 1247221454 /nfs/dbraw/zinc/22/14/54/1247221454.db2.gz KXKQKMAZOSJDRZ-WOJBJXKFSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045130 1247221461 /nfs/dbraw/zinc/22/14/61/1247221461.db2.gz KXKQKMAZOSJDRZ-WOJBJXKFSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045130 1247221469 /nfs/dbraw/zinc/22/14/69/1247221469.db2.gz KXKQKMAZOSJDRZ-WOJBJXKFSA-N 2 2 339.483 2.037 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052512532 1247457396 /nfs/dbraw/zinc/45/73/96/1247457396.db2.gz MEQKSZMGAZJFRC-CYBMUJFWSA-N 2 2 340.855 2.073 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052512532 1247457406 /nfs/dbraw/zinc/45/74/06/1247457406.db2.gz MEQKSZMGAZJFRC-CYBMUJFWSA-N 2 2 340.855 2.073 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165714 1247583622 /nfs/dbraw/zinc/58/36/22/1247583622.db2.gz NEBSVAPEBYOECY-KRWDZBQOSA-N 2 2 336.867 2.259 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165714 1247583632 /nfs/dbraw/zinc/58/36/32/1247583632.db2.gz NEBSVAPEBYOECY-KRWDZBQOSA-N 2 2 336.867 2.259 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3CCC)cc2C1 ZINC001054267327 1247941754 /nfs/dbraw/zinc/94/17/54/1247941754.db2.gz NLWMJNRADAIZLE-LJQANCHMSA-N 2 2 325.456 2.126 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267327 1247941764 /nfs/dbraw/zinc/94/17/64/1247941764.db2.gz NLWMJNRADAIZLE-LJQANCHMSA-N 2 2 325.456 2.126 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267327 1247941775 /nfs/dbraw/zinc/94/17/75/1247941775.db2.gz NLWMJNRADAIZLE-LJQANCHMSA-N 2 2 325.456 2.126 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267327 1247941793 /nfs/dbraw/zinc/94/17/93/1247941793.db2.gz NLWMJNRADAIZLE-LJQANCHMSA-N 2 2 325.456 2.126 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285632 1248005595 /nfs/dbraw/zinc/00/55/95/1248005595.db2.gz RRLAOUJFTRSEGX-PMACEKPBSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285632 1248005602 /nfs/dbraw/zinc/00/56/02/1248005602.db2.gz RRLAOUJFTRSEGX-PMACEKPBSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)cc2C1 ZINC001054285632 1248005611 /nfs/dbraw/zinc/00/56/11/1248005611.db2.gz RRLAOUJFTRSEGX-PMACEKPBSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)cc2C1 ZINC001054285632 1248005620 /nfs/dbraw/zinc/00/56/20/1248005620.db2.gz RRLAOUJFTRSEGX-PMACEKPBSA-N 2 2 337.467 2.269 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]Cc3ccc(C#N)cc3)ccn12 ZINC001491458275 1259102653 /nfs/dbraw/zinc/10/26/53/1259102653.db2.gz XXOQFFSXKMDGMX-AWEZNQCLSA-N 2 2 347.422 2.423 20 30 EEEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818098 1281090312 /nfs/dbraw/zinc/09/03/12/1281090312.db2.gz OBTPGNDOPLUPDE-ROUUACIJSA-N 2 2 348.491 2.206 20 30 EEEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC001196895633 1284349210 /nfs/dbraw/zinc/34/92/10/1284349210.db2.gz NMCCRYOZMGMQOR-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC001196895633 1284349217 /nfs/dbraw/zinc/34/92/17/1284349217.db2.gz NMCCRYOZMGMQOR-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001196895633 1284349225 /nfs/dbraw/zinc/34/92/25/1284349225.db2.gz NMCCRYOZMGMQOR-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001196895633 1284349232 /nfs/dbraw/zinc/34/92/32/1284349232.db2.gz NMCCRYOZMGMQOR-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197491140 1284634200 /nfs/dbraw/zinc/63/42/00/1284634200.db2.gz AEFGQVJQWHKXAD-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197491140 1284634210 /nfs/dbraw/zinc/63/42/10/1284634210.db2.gz AEFGQVJQWHKXAD-UHFFFAOYSA-N 2 2 346.450 2.073 20 30 EEEDLP N#CC1(NC(=O)[C@@H]([NH3+])c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643483 1298485190 /nfs/dbraw/zinc/48/51/90/1298485190.db2.gz HMSBGYKRJFBOEV-IBGZPJMESA-N 2 2 348.450 2.361 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001221942428 1299213569 /nfs/dbraw/zinc/21/35/69/1299213569.db2.gz LLAUMYQOUXHXPN-QRVBRYPASA-N 2 2 327.472 2.398 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)[C@@H]2C1 ZINC001221942428 1299213580 /nfs/dbraw/zinc/21/35/80/1299213580.db2.gz LLAUMYQOUXHXPN-QRVBRYPASA-N 2 2 327.472 2.398 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001221942428 1299213596 /nfs/dbraw/zinc/21/35/96/1299213596.db2.gz 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CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+](CC)CC ZINC001230598668 1303307030 /nfs/dbraw/zinc/30/70/30/1303307030.db2.gz WPZUODQIKSYBFV-MSOLQXFVSA-N 2 2 334.508 2.333 20 30 EEEDLP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+](CC)CC ZINC001230598668 1303307036 /nfs/dbraw/zinc/30/70/36/1303307036.db2.gz WPZUODQIKSYBFV-MSOLQXFVSA-N 2 2 334.508 2.333 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001232065908 1303989334 /nfs/dbraw/zinc/98/93/34/1303989334.db2.gz DGZVDOPXWKRJPF-UHFFFAOYSA-N 2 2 339.487 2.355 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331397 1304466472 /nfs/dbraw/zinc/46/64/72/1304466472.db2.gz KVFBHAGISJZPNK-YOEHRIQHSA-N 2 2 336.867 2.313 20 30 EEEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001121318842 1309980131 /nfs/dbraw/zinc/98/01/31/1309980131.db2.gz OVXPWDUBUAOTOA-AKJOHPPZSA-N 2 2 342.487 2.429 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001121509854 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PTPOGKCFWBRKRP-IXDOHACOSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367453 759826423 /nfs/dbraw/zinc/82/64/23/759826423.db2.gz UHDRZTLHBOMRNB-FGTMMUONSA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088019128 782776190 /nfs/dbraw/zinc/77/61/90/782776190.db2.gz XXJIEXLJEYMDDL-ZACQAIPSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088019128 782776197 /nfs/dbraw/zinc/77/61/97/782776197.db2.gz XXJIEXLJEYMDDL-ZACQAIPSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088019128 782776202 /nfs/dbraw/zinc/77/62/02/782776202.db2.gz XXJIEXLJEYMDDL-ZACQAIPSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088019128 782776208 /nfs/dbraw/zinc/77/62/08/782776208.db2.gz 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C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1F ZINC001027942728 774768812 /nfs/dbraw/zinc/76/88/12/774768812.db2.gz GOWGCXICXZXIIQ-HKUYNNGSSA-N 2 2 343.446 2.004 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000997586707 790353629 /nfs/dbraw/zinc/35/36/29/790353629.db2.gz NLBBGDWPMGEJGR-KBXCAEBGSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000997586707 790353640 /nfs/dbraw/zinc/35/36/40/790353640.db2.gz NLBBGDWPMGEJGR-KBXCAEBGSA-N 2 2 345.491 2.193 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC000981387621 777272878 /nfs/dbraw/zinc/27/28/78/777272878.db2.gz OYTDIGOQBCZCDO-FQEVSTJZSA-N 2 2 341.499 2.159 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)[NH+](C)C ZINC000981387621 777272884 /nfs/dbraw/zinc/27/28/84/777272884.db2.gz OYTDIGOQBCZCDO-FQEVSTJZSA-N 2 2 341.499 2.159 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000981813693 778238731 /nfs/dbraw/zinc/23/87/31/778238731.db2.gz QIKWHPICDMRSDM-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000981813693 778238735 /nfs/dbraw/zinc/23/87/35/778238735.db2.gz QIKWHPICDMRSDM-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000981813693 778238739 /nfs/dbraw/zinc/23/87/39/778238739.db2.gz QIKWHPICDMRSDM-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000981813693 778238744 /nfs/dbraw/zinc/23/87/44/778238744.db2.gz QIKWHPICDMRSDM-IBGZPJMESA-N 2 2 349.519 2.130 20 30 EEEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001127685250 778825999 /nfs/dbraw/zinc/82/59/99/778825999.db2.gz KLKQXZDQDPGXTF-OAHLLOKOSA-N 2 2 339.443 2.174 20 30 EEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@]2(C)C1 ZINC000982318041 779700855 /nfs/dbraw/zinc/70/08/55/779700855.db2.gz BHLOHIFTWFTIHQ-RYGJVYDSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@]2(C)C1 ZINC000982318041 779700859 /nfs/dbraw/zinc/70/08/59/779700859.db2.gz BHLOHIFTWFTIHQ-RYGJVYDSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@]2(C)C1 ZINC000982318041 779700863 /nfs/dbraw/zinc/70/08/63/779700863.db2.gz BHLOHIFTWFTIHQ-RYGJVYDSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@]2(C)C1 ZINC000982318041 779700866 /nfs/dbraw/zinc/70/08/66/779700866.db2.gz BHLOHIFTWFTIHQ-RYGJVYDSSA-N 2 2 342.487 2.179 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736146 783831931 /nfs/dbraw/zinc/83/19/31/783831931.db2.gz DIQAQRJZVJETQW-SOUVJXGZSA-N 2 2 336.867 2.073 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135576217 784026897 /nfs/dbraw/zinc/02/68/97/784026897.db2.gz SPSDMMIFOPALFE-OLZOCXBDSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623536 784816505 /nfs/dbraw/zinc/81/65/05/784816505.db2.gz BRLGCHFDMRSPIX-QGZVFWFLSA-N 2 2 349.475 2.128 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623536 784816514 /nfs/dbraw/zinc/81/65/14/784816514.db2.gz BRLGCHFDMRSPIX-QGZVFWFLSA-N 2 2 349.475 2.128 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001136031742 785012531 /nfs/dbraw/zinc/01/25/31/785012531.db2.gz PLZWPZMQNXRWBJ-NEPJUHHUSA-N 2 2 345.472 2.267 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997183172 789362088 /nfs/dbraw/zinc/36/20/88/789362088.db2.gz DJFDIBRZDUKUDH-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000923389340 789485293 /nfs/dbraw/zinc/48/52/93/789485293.db2.gz PATRWRHCOXIAAN-BPQIPLTHSA-N 2 2 348.487 2.223 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000923389340 789485295 /nfs/dbraw/zinc/48/52/95/789485295.db2.gz PATRWRHCOXIAAN-BPQIPLTHSA-N 2 2 348.487 2.223 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001107946243 789705720 /nfs/dbraw/zinc/70/57/20/789705720.db2.gz RSWMRPHEXGKGSH-IBGZPJMESA-N 2 2 342.443 2.040 20 30 EEEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001107946243 789705729 /nfs/dbraw/zinc/70/57/29/789705729.db2.gz RSWMRPHEXGKGSH-IBGZPJMESA-N 2 2 342.443 2.040 20 30 EEEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560683 791342095 /nfs/dbraw/zinc/34/20/95/791342095.db2.gz CNKYFRRWUJWZHI-CABCVRRESA-N 2 2 333.501 2.002 20 30 EEEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560683 791342101 /nfs/dbraw/zinc/34/21/01/791342101.db2.gz CNKYFRRWUJWZHI-CABCVRRESA-N 2 2 333.501 2.002 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050370 791885532 /nfs/dbraw/zinc/88/55/32/791885532.db2.gz HCUPWECBYCHCAT-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050370 791885534 /nfs/dbraw/zinc/88/55/34/791885534.db2.gz HCUPWECBYCHCAT-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992031308 792393202 /nfs/dbraw/zinc/39/32/02/792393202.db2.gz NMNSRHLATLILNL-ICSRJNTNSA-N 2 2 334.423 2.232 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992031308 792393212 /nfs/dbraw/zinc/39/32/12/792393212.db2.gz NMNSRHLATLILNL-ICSRJNTNSA-N 2 2 334.423 2.232 20 30 EEEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992357731 793795552 /nfs/dbraw/zinc/79/55/52/793795552.db2.gz BZDDYZRPLABDEM-AZUAARDMSA-N 2 2 334.423 2.232 20 30 EEEDLP C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992357731 793795558 /nfs/dbraw/zinc/79/55/58/793795558.db2.gz BZDDYZRPLABDEM-AZUAARDMSA-N 2 2 334.423 2.232 20 30 EEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000999873572 795067811 /nfs/dbraw/zinc/06/78/11/795067811.db2.gz LFLKEYWFLAVQBE-UHFFFAOYSA-N 2 2 333.501 2.261 20 30 EEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000999873572 795067815 /nfs/dbraw/zinc/06/78/15/795067815.db2.gz LFLKEYWFLAVQBE-UHFFFAOYSA-N 2 2 333.501 2.261 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036860451 795545733 /nfs/dbraw/zinc/54/57/33/795545733.db2.gz ILJDBKOOWCPDRO-HKUYNNGSSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036860451 795545736 /nfs/dbraw/zinc/54/57/36/795545736.db2.gz ILJDBKOOWCPDRO-HKUYNNGSSA-N 2 2 334.423 2.042 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094451530 796259963 /nfs/dbraw/zinc/25/99/63/796259963.db2.gz YBKNWYUOMHBLQX-MBOZVWFJSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094451530 796259967 /nfs/dbraw/zinc/25/99/67/796259967.db2.gz YBKNWYUOMHBLQX-MBOZVWFJSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453464 796262627 /nfs/dbraw/zinc/26/26/27/796262627.db2.gz UZHJJFIKFSJAKZ-SQGPQFPESA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453464 796262631 /nfs/dbraw/zinc/26/26/31/796262631.db2.gz UZHJJFIKFSJAKZ-SQGPQFPESA-N 2 2 342.487 2.382 20 30 EEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001172297180 796964064 /nfs/dbraw/zinc/96/40/64/796964064.db2.gz BVIPJMCILIULGA-CZAAIQMYSA-N 2 2 334.467 2.291 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761879 796986522 /nfs/dbraw/zinc/98/65/22/796986522.db2.gz RUGNFNIFBPAWJI-DLBZAZTESA-N 2 2 349.438 2.041 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001850927 797255860 /nfs/dbraw/zinc/25/58/60/797255860.db2.gz GWEPJVFNHZJFKI-HUUCEWRRSA-N 2 2 336.867 2.104 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570391 806619050 /nfs/dbraw/zinc/61/90/50/806619050.db2.gz UTFYAQRLJLOZSV-LPHOPBHVSA-N 2 2 330.476 2.445 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209480 798031302 /nfs/dbraw/zinc/03/13/02/798031302.db2.gz KFQJIRWHYWVGES-JKSUJKDBSA-N 2 2 348.491 2.297 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479441 798118266 /nfs/dbraw/zinc/11/82/66/798118266.db2.gz RIUYQZYZKZRRJW-OAHLLOKOSA-N 2 2 339.443 2.289 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001179022279 799727916 /nfs/dbraw/zinc/72/79/16/799727916.db2.gz MMPDSMKMCQDFNC-IMJJTQAJSA-N 2 2 330.476 2.368 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001179022279 799727920 /nfs/dbraw/zinc/72/79/20/799727920.db2.gz MMPDSMKMCQDFNC-IMJJTQAJSA-N 2 2 330.476 2.368 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001085431145 800494436 /nfs/dbraw/zinc/49/44/36/800494436.db2.gz RVNZWLJGHSQXMG-HZPDHXFCSA-N 2 2 333.501 2.309 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001085431145 800494438 /nfs/dbraw/zinc/49/44/38/800494438.db2.gz RVNZWLJGHSQXMG-HZPDHXFCSA-N 2 2 333.501 2.309 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033199492 803067882 /nfs/dbraw/zinc/06/78/82/803067882.db2.gz UFQIHIJINIMQLL-RHSMWYFYSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033199492 803067890 /nfs/dbraw/zinc/06/78/90/803067890.db2.gz UFQIHIJINIMQLL-RHSMWYFYSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033199492 803067898 /nfs/dbraw/zinc/06/78/98/803067898.db2.gz UFQIHIJINIMQLL-RHSMWYFYSA-N 2 2 346.500 2.137 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033199492 803067906 /nfs/dbraw/zinc/06/79/06/803067906.db2.gz UFQIHIJINIMQLL-RHSMWYFYSA-N 2 2 346.500 2.137 20 30 EEEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109449443 805475985 /nfs/dbraw/zinc/47/59/85/805475985.db2.gz VVYGXGQEABCJCC-HFTRVMKXSA-N 2 2 340.427 2.101 20 30 EEEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109449443 805475990 /nfs/dbraw/zinc/47/59/90/805475990.db2.gz VVYGXGQEABCJCC-HFTRVMKXSA-N 2 2 340.427 2.101 20 30 EEEDLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001438250909 1090734305 /nfs/dbraw/zinc/73/43/05/1090734305.db2.gz XXNNTOVGJLERIG-AEFFLSMTSA-N 2 2 346.450 2.070 20 30 EEEDLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)[NH+](C)C ZINC001438250909 1090734309 /nfs/dbraw/zinc/73/43/09/1090734309.db2.gz XXNNTOVGJLERIG-AEFFLSMTSA-N 2 2 346.450 2.070 20 30 EEEDLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001448791425 1093869393 /nfs/dbraw/zinc/86/93/93/1093869393.db2.gz HRUBUDPMZXXUIR-INIZCTEOSA-N 2 2 339.443 2.172 20 30 EEEDLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001442166392 1096427106 /nfs/dbraw/zinc/42/71/06/1096427106.db2.gz HORVXKJOBCSNQK-INIZCTEOSA-N 2 2 339.443 2.145 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000360838511 283192368 /nfs/dbraw/zinc/19/23/68/283192368.db2.gz CQIRCGSTLRDJNV-MOPGFXCFSA-N 2 2 340.471 2.255 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000360838511 283192371 /nfs/dbraw/zinc/19/23/71/283192371.db2.gz CQIRCGSTLRDJNV-MOPGFXCFSA-N 2 2 340.471 2.255 20 30 EEEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000491737400 533163979 /nfs/dbraw/zinc/16/39/79/533163979.db2.gz LPKGJBRGZQTETA-KRWDZBQOSA-N 2 2 335.879 2.452 20 30 EEEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000491737400 533163984 /nfs/dbraw/zinc/16/39/84/533163984.db2.gz LPKGJBRGZQTETA-KRWDZBQOSA-N 2 2 335.879 2.452 20 30 EEEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245560409 160242990 /nfs/dbraw/zinc/24/29/90/160242990.db2.gz BVZQWEUFMQACIE-TZMCWYRMSA-N 2 2 329.429 2.338 20 30 EEEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245560409 160242991 /nfs/dbraw/zinc/24/29/91/160242991.db2.gz BVZQWEUFMQACIE-TZMCWYRMSA-N 2 2 329.429 2.338 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413171840 267279245 /nfs/dbraw/zinc/27/92/45/267279245.db2.gz NKYWWYHWSBGBSP-UHFFFAOYSA-N 2 2 341.381 2.410 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000266150820 268076526 /nfs/dbraw/zinc/07/65/26/268076526.db2.gz KMAMFRBNRNEVHN-LPHOPBHVSA-N 2 2 325.412 2.124 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000266150820 268076529 /nfs/dbraw/zinc/07/65/29/268076529.db2.gz KMAMFRBNRNEVHN-LPHOPBHVSA-N 2 2 325.412 2.124 20 30 EEEDLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000328662110 465093252 /nfs/dbraw/zinc/09/32/52/465093252.db2.gz AJQIXIFCUIIOHL-BBWFWOEESA-N 2 2 345.491 2.379 20 30 EEEDLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000328662110 465093257 /nfs/dbraw/zinc/09/32/57/465093257.db2.gz AJQIXIFCUIIOHL-BBWFWOEESA-N 2 2 345.491 2.379 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000579152796 468318484 /nfs/dbraw/zinc/31/84/84/468318484.db2.gz HEPCPEOMNCDMRB-INIZCTEOSA-N 2 2 331.464 2.211 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)cc1 ZINC000047671891 462813054 /nfs/dbraw/zinc/81/30/54/462813054.db2.gz ALTKRNZVGLHLQA-UHFFFAOYSA-N 2 2 329.448 2.048 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)cc1 ZINC000047671891 462813057 /nfs/dbraw/zinc/81/30/57/462813057.db2.gz ALTKRNZVGLHLQA-UHFFFAOYSA-N 2 2 329.448 2.048 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCNC(=O)C2CCCC2)cc1 ZINC000276901045 463799583 /nfs/dbraw/zinc/79/95/83/463799583.db2.gz URORWRRGZZKVGS-UHFFFAOYSA-N 2 2 346.475 2.082 20 30 EEEDLP CC[NH+]=C(NCCc1ccccn1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262006690 463924358 /nfs/dbraw/zinc/92/43/58/463924358.db2.gz VSUFSYFQYBNSIY-FUHWJXTLSA-N 2 2 340.475 2.369 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000221838675 464124516 /nfs/dbraw/zinc/12/45/16/464124516.db2.gz MTYPOHVNMHJLIH-KGLIPLIRSA-N 2 2 341.440 2.328 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000221838675 464124523 /nfs/dbraw/zinc/12/45/23/464124523.db2.gz MTYPOHVNMHJLIH-KGLIPLIRSA-N 2 2 341.440 2.328 20 30 EEEDLP N#CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282067660 464687488 /nfs/dbraw/zinc/68/74/88/464687488.db2.gz GYGVMKQDRGOZPC-SFHVURJKSA-N 2 2 329.444 2.133 20 30 EEEDLP N#CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282067660 464687496 /nfs/dbraw/zinc/68/74/96/464687496.db2.gz GYGVMKQDRGOZPC-SFHVURJKSA-N 2 2 329.444 2.133 20 30 EEEDLP CCCNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273486851 464718791 /nfs/dbraw/zinc/71/87/91/464718791.db2.gz MKLPUPIDPHTQAX-UHFFFAOYSA-N 2 2 338.253 2.262 20 30 EEEDLP CC(C)CN(C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000267161291 464919356 /nfs/dbraw/zinc/91/93/56/464919356.db2.gz QIXLVDKBAJCSEG-UHFFFAOYSA-N 2 2 346.475 2.032 20 30 EEEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000329936129 465479478 /nfs/dbraw/zinc/47/94/78/465479478.db2.gz CWIGFLVQRXZFBG-DOTOQJQBSA-N 2 2 345.491 2.023 20 30 EEEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348331718 465554308 /nfs/dbraw/zinc/55/43/08/465554308.db2.gz RPBLUTQZRYCHKV-PMACEKPBSA-N 2 2 341.499 2.475 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553284 465579621 /nfs/dbraw/zinc/57/96/21/465579621.db2.gz RHQSPPVPZJCLOW-QAPCUYQASA-N 2 2 333.501 2.337 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553284 465579628 /nfs/dbraw/zinc/57/96/28/465579628.db2.gz RHQSPPVPZJCLOW-QAPCUYQASA-N 2 2 333.501 2.337 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353504507 465938739 /nfs/dbraw/zinc/93/87/39/465938739.db2.gz RGNIINVRYMDCCG-OAHLLOKOSA-N 2 2 341.455 2.301 20 30 EEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000361787584 466288565 /nfs/dbraw/zinc/28/85/65/466288565.db2.gz IXRGBESMOLEUEX-YQVWRLOYSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000361787584 466288573 /nfs/dbraw/zinc/28/85/73/466288573.db2.gz IXRGBESMOLEUEX-YQVWRLOYSA-N 2 2 329.444 2.250 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467366 468029070 /nfs/dbraw/zinc/02/90/70/468029070.db2.gz ATKOPZMFLUMALZ-BEFAXECRSA-N 2 2 346.438 2.211 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467366 468029072 /nfs/dbraw/zinc/02/90/72/468029072.db2.gz ATKOPZMFLUMALZ-BEFAXECRSA-N 2 2 346.438 2.211 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000575861755 468155225 /nfs/dbraw/zinc/15/52/25/468155225.db2.gz IJJCVFKPXSWYSL-HHXXYDBFSA-N 2 2 330.472 2.370 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000575861755 468155229 /nfs/dbraw/zinc/15/52/29/468155229.db2.gz IJJCVFKPXSWYSL-HHXXYDBFSA-N 2 2 330.472 2.370 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576766761 468171919 /nfs/dbraw/zinc/17/19/19/468171919.db2.gz VPKTULKOXZHNSK-KBAYOESNSA-N 2 2 328.460 2.047 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576766761 468171926 /nfs/dbraw/zinc/17/19/26/468171926.db2.gz VPKTULKOXZHNSK-KBAYOESNSA-N 2 2 328.460 2.047 20 30 EEEDLP C[NH+]1CCN([C@@H](C[NH2+]C[C@H](C#N)CCC#N)c2cccs2)CC1 ZINC000551683525 468246416 /nfs/dbraw/zinc/24/64/16/468246416.db2.gz NDIKYRBUSNCWCE-HOTGVXAUSA-N 2 2 331.489 2.070 20 30 EEEDLP N#CCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000601120112 468750119 /nfs/dbraw/zinc/75/01/19/468750119.db2.gz FLBSYXXRRIJMPT-UHFFFAOYSA-N 2 2 329.444 2.181 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000571875009 468852145 /nfs/dbraw/zinc/85/21/45/468852145.db2.gz HIWKFMYBHMXCEX-LZQZEXGQSA-N 2 2 330.472 2.227 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000571875009 468852151 /nfs/dbraw/zinc/85/21/51/468852151.db2.gz HIWKFMYBHMXCEX-LZQZEXGQSA-N 2 2 330.472 2.227 20 30 EEEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504568 468879074 /nfs/dbraw/zinc/87/90/74/468879074.db2.gz JUJVPXOPYWDGKE-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504568 468879077 /nfs/dbraw/zinc/87/90/77/468879077.db2.gz JUJVPXOPYWDGKE-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504568 468879079 /nfs/dbraw/zinc/87/90/79/468879079.db2.gz JUJVPXOPYWDGKE-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504568 468879083 /nfs/dbraw/zinc/87/90/83/468879083.db2.gz JUJVPXOPYWDGKE-AZUAARDMSA-N 2 2 338.455 2.081 20 30 EEEDLP Cc1cc(N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000598589450 468924327 /nfs/dbraw/zinc/92/43/27/468924327.db2.gz NVUUAFGBRRAYBM-INIZCTEOSA-N 2 2 345.491 2.331 20 30 EEEDLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615351 468933643 /nfs/dbraw/zinc/93/36/43/468933643.db2.gz XBOHKXVXAVHGFL-QZTJIDSGSA-N 2 2 330.476 2.136 20 30 EEEDLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615351 468933648 /nfs/dbraw/zinc/93/36/48/468933648.db2.gz XBOHKXVXAVHGFL-QZTJIDSGSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615351 468933650 /nfs/dbraw/zinc/93/36/50/468933650.db2.gz XBOHKXVXAVHGFL-QZTJIDSGSA-N 2 2 330.476 2.136 20 30 EEEDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615351 468933656 /nfs/dbraw/zinc/93/36/56/468933656.db2.gz XBOHKXVXAVHGFL-QZTJIDSGSA-N 2 2 330.476 2.136 20 30 EEEDLP Cc1cccc2c1ncc(C#N)c2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000610511353 468989428 /nfs/dbraw/zinc/98/94/28/468989428.db2.gz YYKYLDMCZSHUQI-UHFFFAOYSA-N 2 2 337.471 2.275 20 30 EEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610585843 469010968 /nfs/dbraw/zinc/01/09/68/469010968.db2.gz JHETWSIORQVJIN-QYZOEREBSA-N 2 2 343.471 2.051 20 30 EEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610585843 469010977 /nfs/dbraw/zinc/01/09/77/469010977.db2.gz JHETWSIORQVJIN-QYZOEREBSA-N 2 2 343.471 2.051 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610585843 469010983 /nfs/dbraw/zinc/01/09/83/469010983.db2.gz JHETWSIORQVJIN-QYZOEREBSA-N 2 2 343.471 2.051 20 30 EEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610585843 469010991 /nfs/dbraw/zinc/01/09/91/469010991.db2.gz JHETWSIORQVJIN-QYZOEREBSA-N 2 2 343.471 2.051 20 30 EEEDLP C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199917 469238321 /nfs/dbraw/zinc/23/83/21/469238321.db2.gz BNSXCBOJNWNYKG-QGZVFWFLSA-N 2 2 343.471 2.150 20 30 EEEDLP C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602199917 469238325 /nfs/dbraw/zinc/23/83/25/469238325.db2.gz BNSXCBOJNWNYKG-QGZVFWFLSA-N 2 2 343.471 2.150 20 30 EEEDLP C[C@@H](NC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000771557818 577217859 /nfs/dbraw/zinc/21/78/59/577217859.db2.gz NOPHNVCLEPNOCS-CQSZACIVSA-N 2 2 345.516 2.035 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]N3CCc4ccccc4C3=O)cc2)CC1 ZINC000771558120 577217881 /nfs/dbraw/zinc/21/78/81/577217881.db2.gz UXRMEOOWKASWHI-UHFFFAOYSA-N 2 2 348.450 2.471 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000969317998 674830520 /nfs/dbraw/zinc/83/05/20/674830520.db2.gz PGWWRLNVJQHKHO-QGZVFWFLSA-N 2 2 345.406 2.210 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339142 678568734 /nfs/dbraw/zinc/56/87/34/678568734.db2.gz LOJKVTLZTNPZDB-YOEHRIQHSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339142 678568737 /nfs/dbraw/zinc/56/87/37/678568737.db2.gz LOJKVTLZTNPZDB-YOEHRIQHSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972339142 678568740 /nfs/dbraw/zinc/56/87/40/678568740.db2.gz LOJKVTLZTNPZDB-YOEHRIQHSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972339142 678568741 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ZINC001030031464 789100149 /nfs/dbraw/zinc/10/01/49/789100149.db2.gz LVSYGRBYSRNOLQ-GUMHCPJTSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC(C)CC2)C1 ZINC001030031464 789100157 /nfs/dbraw/zinc/10/01/57/789100157.db2.gz LVSYGRBYSRNOLQ-GUMHCPJTSA-N 2 2 345.531 2.491 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954366 789804791 /nfs/dbraw/zinc/80/47/91/789804791.db2.gz PDWGNFHDTOPKEW-QFBILLFUSA-N 2 2 348.491 2.180 20 30 EEEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954366 789804798 /nfs/dbraw/zinc/80/47/98/789804798.db2.gz PDWGNFHDTOPKEW-QFBILLFUSA-N 2 2 348.491 2.180 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)s1 ZINC000999044634 793739991 /nfs/dbraw/zinc/73/99/91/793739991.db2.gz LMTCGDLGIARVOR-CYBMUJFWSA-N 2 2 343.456 2.056 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC001094481610 796318757 /nfs/dbraw/zinc/31/87/57/796318757.db2.gz VRIYYUFCBAENTQ-TZIWHRDSSA-N 2 2 348.450 2.480 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC001094481610 796318763 /nfs/dbraw/zinc/31/87/63/796318763.db2.gz VRIYYUFCBAENTQ-TZIWHRDSSA-N 2 2 348.450 2.480 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486511 796592248 /nfs/dbraw/zinc/59/22/48/796592248.db2.gz LAQVTEHBGXQVIR-MRXNPFEDSA-N 2 2 349.475 2.100 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171605489 796657387 /nfs/dbraw/zinc/65/73/87/796657387.db2.gz OTAIDOYKLGWWAV-ZBFHGGJFSA-N 2 2 330.476 2.111 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171605489 796657389 /nfs/dbraw/zinc/65/73/89/796657389.db2.gz OTAIDOYKLGWWAV-ZBFHGGJFSA-N 2 2 330.476 2.111 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084444764 798229561 /nfs/dbraw/zinc/22/95/61/798229561.db2.gz DQRALJULUAOCEM-HZPDHXFCSA-N 2 2 337.895 2.148 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084444764 798229566 /nfs/dbraw/zinc/22/95/66/798229566.db2.gz DQRALJULUAOCEM-HZPDHXFCSA-N 2 2 337.895 2.148 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085682589 801037735 /nfs/dbraw/zinc/03/77/35/801037735.db2.gz XEPKYGSWDAWKRQ-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085682589 801037739 /nfs/dbraw/zinc/03/77/39/801037739.db2.gz XEPKYGSWDAWKRQ-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085682589 801037743 /nfs/dbraw/zinc/03/77/43/801037743.db2.gz XEPKYGSWDAWKRQ-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085682589 801037749 /nfs/dbraw/zinc/03/77/49/801037749.db2.gz XEPKYGSWDAWKRQ-HZPDHXFCSA-N 2 2 330.476 2.322 20 30 EEEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004456882 802117701 /nfs/dbraw/zinc/11/77/01/802117701.db2.gz IDULNOSJZOICQE-OALUTQOASA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004456882 802117709 /nfs/dbraw/zinc/11/77/09/802117709.db2.gz IDULNOSJZOICQE-OALUTQOASA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004456882 802117711 /nfs/dbraw/zinc/11/77/11/802117711.db2.gz IDULNOSJZOICQE-OALUTQOASA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004456882 802117716 /nfs/dbraw/zinc/11/77/16/802117716.db2.gz IDULNOSJZOICQE-OALUTQOASA-N 2 2 346.519 2.191 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004467569 802147322 /nfs/dbraw/zinc/14/73/22/802147322.db2.gz YMIJCAOSYVDQKD-ZHALLVOQSA-N 2 2 340.471 2.240 20 30 EEEDLP 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CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004484239 802209898 /nfs/dbraw/zinc/20/98/98/802209898.db2.gz YSKRHEZMXCMYQW-MOPGFXCFSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004484239 802209904 /nfs/dbraw/zinc/20/99/04/802209904.db2.gz YSKRHEZMXCMYQW-MOPGFXCFSA-N 2 2 346.519 2.333 20 30 EEEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001184883329 802224621 /nfs/dbraw/zinc/22/46/21/802224621.db2.gz ULGGWFZVYCYWTI-AEFFLSMTSA-N 2 2 336.439 2.193 20 30 EEEDLP CN(c1nc(Cl)c(C#N)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000804449047 810874414 /nfs/dbraw/zinc/87/44/14/810874414.db2.gz WLJMHEYSBBVCLB-GFCCVEGCSA-N 2 2 339.896 2.273 20 30 EEEDLP CN(c1nc(Cl)c(C#N)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000804449047 810874422 /nfs/dbraw/zinc/87/44/22/810874422.db2.gz WLJMHEYSBBVCLB-GFCCVEGCSA-N 2 2 339.896 2.273 20 30 EEEDLP C=C(Br)C[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001021 811069548 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ZINC001366717309 1374016878 /nfs/dbraw/zinc/01/68/78/1374016878.db2.gz ZSQKFFNBIOMCHT-QGZVFWFLSA-N 2 2 335.879 2.309 20 30 EEEDLP C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001754969201 1407015592 /nfs/dbraw/zinc/01/55/92/1407015592.db2.gz STICQZOBKQFYNS-GOSISDBHSA-N 2 2 349.519 2.178 20 30 EEEDLP C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001754969201 1407015598 /nfs/dbraw/zinc/01/55/98/1407015598.db2.gz STICQZOBKQFYNS-GOSISDBHSA-N 2 2 349.519 2.178 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001732153391 1405933284 /nfs/dbraw/zinc/93/32/84/1405933284.db2.gz CQFHEBVYWUVNLH-SFHVURJKSA-N 2 2 347.890 2.222 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001732153391 1405933298 /nfs/dbraw/zinc/93/32/98/1405933298.db2.gz CQFHEBVYWUVNLH-SFHVURJKSA-N 2 2 347.890 2.222 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001732153391 1405933305 /nfs/dbraw/zinc/93/33/05/1405933305.db2.gz CQFHEBVYWUVNLH-SFHVURJKSA-N 2 2 347.890 2.222 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001732153391 1405933312 /nfs/dbraw/zinc/93/33/12/1405933312.db2.gz CQFHEBVYWUVNLH-SFHVURJKSA-N 2 2 347.890 2.222 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087312875 761590923 /nfs/dbraw/zinc/59/09/23/761590923.db2.gz LNAFDCYHVISUBK-KBAYOESNSA-N 2 2 330.476 2.144 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087312875 761590927 /nfs/dbraw/zinc/59/09/27/761590927.db2.gz LNAFDCYHVISUBK-KBAYOESNSA-N 2 2 330.476 2.144 20 30 EEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001104793753 765298568 /nfs/dbraw/zinc/29/85/68/765298568.db2.gz GEKWOTOIDXAWLK-IAGOWNOFSA-N 2 2 340.471 2.445 20 30 EEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104967258 765688705 /nfs/dbraw/zinc/68/87/05/765688705.db2.gz OSDQLXANYWJCHY-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089417494 768923089 /nfs/dbraw/zinc/92/30/89/768923089.db2.gz ZSSDBEOSWNSPEQ-QGZVFWFLSA-N 2 2 343.471 2.263 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089417494 768923092 /nfs/dbraw/zinc/92/30/92/768923092.db2.gz ZSSDBEOSWNSPEQ-QGZVFWFLSA-N 2 2 343.471 2.263 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495645 769883154 /nfs/dbraw/zinc/88/31/54/769883154.db2.gz YBJPVVOIRRYTKI-BZUAXINKSA-N 2 2 330.476 2.316 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495645 769883166 /nfs/dbraw/zinc/88/31/66/769883166.db2.gz YBJPVVOIRRYTKI-BZUAXINKSA-N 2 2 330.476 2.316 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102184 782914194 /nfs/dbraw/zinc/91/41/94/782914194.db2.gz TVQJWVFJSAMLCW-OWCLPIDISA-N 2 2 328.460 2.186 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102184 782914199 /nfs/dbraw/zinc/91/41/99/782914199.db2.gz TVQJWVFJSAMLCW-OWCLPIDISA-N 2 2 328.460 2.186 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981436364 777397986 /nfs/dbraw/zinc/39/79/86/777397986.db2.gz IUIRWYYVMWFJCI-CVEARBPZSA-N 2 2 339.443 2.474 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997648947 790541135 /nfs/dbraw/zinc/54/11/35/790541135.db2.gz LKZNXCZQDHHMEQ-DOTOQJQBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848682 778360687 /nfs/dbraw/zinc/36/06/87/778360687.db2.gz WLGZGVXHDOGSQW-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848682 778360693 /nfs/dbraw/zinc/36/06/93/778360693.db2.gz WLGZGVXHDOGSQW-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848682 778360699 /nfs/dbraw/zinc/36/06/99/778360699.db2.gz WLGZGVXHDOGSQW-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848682 778360706 /nfs/dbraw/zinc/36/07/06/778360706.db2.gz WLGZGVXHDOGSQW-OAHLLOKOSA-N 2 2 325.884 2.148 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981953225 778651199 /nfs/dbraw/zinc/65/11/99/778651199.db2.gz JRVLSULXDOLPKH-OAHLLOKOSA-N 2 2 346.500 2.138 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981953225 778651201 /nfs/dbraw/zinc/65/12/01/778651201.db2.gz JRVLSULXDOLPKH-OAHLLOKOSA-N 2 2 346.500 2.138 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981953225 778651206 /nfs/dbraw/zinc/65/12/06/778651206.db2.gz JRVLSULXDOLPKH-OAHLLOKOSA-N 2 2 346.500 2.138 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981953225 778651211 /nfs/dbraw/zinc/65/12/11/778651211.db2.gz JRVLSULXDOLPKH-OAHLLOKOSA-N 2 2 346.500 2.138 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035787180 785127485 /nfs/dbraw/zinc/12/74/85/785127485.db2.gz LSZSJELSUPHIMY-OAHLLOKOSA-N 2 2 327.900 2.250 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449290 787264522 /nfs/dbraw/zinc/26/45/22/787264522.db2.gz DAFYVFLXCYRNLN-YLJYHZDGSA-N 2 2 342.487 2.311 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449290 787264528 /nfs/dbraw/zinc/26/45/28/787264528.db2.gz DAFYVFLXCYRNLN-YLJYHZDGSA-N 2 2 342.487 2.311 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccsc3C#N)CC2)CC1 ZINC000911191088 787289991 /nfs/dbraw/zinc/28/99/91/787289991.db2.gz YJICAQIZIMOBGX-UHFFFAOYSA-N 2 2 346.500 2.252 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccsc3C#N)CC2)CC1 ZINC000911191088 787290003 /nfs/dbraw/zinc/29/00/03/787290003.db2.gz YJICAQIZIMOBGX-UHFFFAOYSA-N 2 2 346.500 2.252 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2c1ccn2CC=C ZINC001171067803 788305505 /nfs/dbraw/zinc/30/55/05/788305505.db2.gz PRGNQUARBDXEBQ-HNNXBMFYSA-N 2 2 343.431 2.256 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089898543 788678204 /nfs/dbraw/zinc/67/82/04/788678204.db2.gz YDXORJIFCKSVDZ-MPTYRVRUSA-N 2 2 348.878 2.182 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089898543 788678212 /nfs/dbraw/zinc/67/82/12/788678212.db2.gz YDXORJIFCKSVDZ-MPTYRVRUSA-N 2 2 348.878 2.182 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997186447 789380537 /nfs/dbraw/zinc/38/05/37/789380537.db2.gz KJRFKNWZTYGEJJ-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998048053 791879318 /nfs/dbraw/zinc/87/93/18/791879318.db2.gz UEGAKUYFMVWZER-ROUUACIJSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998048053 791879323 /nfs/dbraw/zinc/87/93/23/791879323.db2.gz UEGAKUYFMVWZER-ROUUACIJSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782795 794981661 /nfs/dbraw/zinc/98/16/61/794981661.db2.gz POURJAITTLMFHZ-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782795 794981668 /nfs/dbraw/zinc/98/16/68/794981668.db2.gz POURJAITTLMFHZ-AZUAARDMSA-N 2 2 348.450 2.432 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106339812 795418457 /nfs/dbraw/zinc/41/84/57/795418457.db2.gz BGAAWOHDMITANO-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993391781 796524704 /nfs/dbraw/zinc/52/47/04/796524704.db2.gz HSFFMVQOZXVVAA-GDBMZVCRSA-N 2 2 333.501 2.416 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993391781 796524707 /nfs/dbraw/zinc/52/47/07/796524707.db2.gz HSFFMVQOZXVVAA-GDBMZVCRSA-N 2 2 333.501 2.416 20 30 EEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001172306187 796950212 /nfs/dbraw/zinc/95/02/12/796950212.db2.gz XAGJVXAXJNUPBF-COXVUDFISA-N 2 2 344.459 2.025 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928232 797137318 /nfs/dbraw/zinc/13/73/18/797137318.db2.gz MHLXQRKICWRKGY-HOCLYGCPSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928232 797137320 /nfs/dbraw/zinc/13/73/20/797137320.db2.gz MHLXQRKICWRKGY-HOCLYGCPSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084975512 798587498 /nfs/dbraw/zinc/58/74/98/798587498.db2.gz HYICLOKXXRJRLK-SQNIBIBYSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084975512 798587499 /nfs/dbraw/zinc/58/74/99/798587499.db2.gz HYICLOKXXRJRLK-SQNIBIBYSA-N 2 2 342.487 2.335 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178535101 799512199 /nfs/dbraw/zinc/51/21/99/799512199.db2.gz GOCPWLQSYZJKOD-UHFFFAOYSA-N 2 2 330.476 2.051 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864598 799659610 /nfs/dbraw/zinc/65/96/10/799659610.db2.gz KMDMHGPWYJNFPT-HNNXBMFYSA-N 2 2 338.883 2.464 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085382466 800432576 /nfs/dbraw/zinc/43/25/76/800432576.db2.gz CQCOYRXJSAYCAW-IAGOWNOFSA-N 2 2 339.443 2.474 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]2C1 ZINC000946592280 801680567 /nfs/dbraw/zinc/68/05/67/801680567.db2.gz GDVQDLSFKJUSDJ-HDICACEKSA-N 2 2 336.439 2.060 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]2C1 ZINC000946592280 801680572 /nfs/dbraw/zinc/68/05/72/801680572.db2.gz GDVQDLSFKJUSDJ-HDICACEKSA-N 2 2 336.439 2.060 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617884 802202717 /nfs/dbraw/zinc/20/27/17/802202717.db2.gz NLQVYMVAIARGRH-GASCZTMLSA-N 2 2 336.867 2.265 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617884 802202727 /nfs/dbraw/zinc/20/27/27/802202727.db2.gz NLQVYMVAIARGRH-GASCZTMLSA-N 2 2 336.867 2.265 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617884 802202735 /nfs/dbraw/zinc/20/27/35/802202735.db2.gz NLQVYMVAIARGRH-GASCZTMLSA-N 2 2 336.867 2.265 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617884 802202737 /nfs/dbraw/zinc/20/27/37/802202737.db2.gz NLQVYMVAIARGRH-GASCZTMLSA-N 2 2 336.867 2.265 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004610967 802480001 /nfs/dbraw/zinc/48/00/01/802480001.db2.gz UEUYEKGBTFFJGM-IBGZPJMESA-N 2 2 342.487 2.079 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004610967 802480005 /nfs/dbraw/zinc/48/00/05/802480005.db2.gz UEUYEKGBTFFJGM-IBGZPJMESA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1c1ccccc1 ZINC001086593311 809039319 /nfs/dbraw/zinc/03/93/19/809039319.db2.gz OOTUDNVGZMJCRX-ZCNNSNEGSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1c1ccccc1 ZINC001086593311 809039326 /nfs/dbraw/zinc/03/93/26/809039326.db2.gz OOTUDNVGZMJCRX-ZCNNSNEGSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@H]1c1ccccc1 ZINC001086593311 809039332 /nfs/dbraw/zinc/03/93/32/809039332.db2.gz OOTUDNVGZMJCRX-ZCNNSNEGSA-N 2 2 339.483 2.078 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@H]1c1ccccc1 ZINC001086593311 809039341 /nfs/dbraw/zinc/03/93/41/809039341.db2.gz OOTUDNVGZMJCRX-ZCNNSNEGSA-N 2 2 339.483 2.078 20 30 EEEDLP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001438711527 1091227799 /nfs/dbraw/zinc/22/77/99/1091227799.db2.gz CXJMHTGCGVJWFV-INIZCTEOSA-N 2 2 339.443 2.172 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000051235989 201126025 /nfs/dbraw/zinc/12/60/25/201126025.db2.gz BVAOTCRUJPUISP-UHFFFAOYSA-N 2 2 341.459 2.238 20 30 EEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000154755846 462805024 /nfs/dbraw/zinc/80/50/24/462805024.db2.gz MFXIOLSRCVJJFX-UHFFFAOYSA-N 2 2 342.447 2.304 20 30 EEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000048713593 462933782 /nfs/dbraw/zinc/93/37/82/462933782.db2.gz YXEXXMZAMQUXAV-UHFFFAOYSA-N 2 2 348.450 2.236 20 30 EEEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1 ZINC000161751923 463454864 /nfs/dbraw/zinc/45/48/64/463454864.db2.gz INZOCJPUQVZRJI-WMLDXEAASA-N 2 2 325.460 2.137 20 30 EEEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@H+]1C1CC1 ZINC000161751923 463454870 /nfs/dbraw/zinc/45/48/70/463454870.db2.gz INZOCJPUQVZRJI-WMLDXEAASA-N 2 2 325.460 2.137 20 30 EEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166096632 463650974 /nfs/dbraw/zinc/65/09/74/463650974.db2.gz FRZJWNMCKYBSIF-KRWDZBQOSA-N 2 2 328.460 2.101 20 30 EEEDLP CC[C@H](C)NC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000170641642 463688086 /nfs/dbraw/zinc/68/80/86/463688086.db2.gz NPHAHTBLDMCXPE-HNNXBMFYSA-N 2 2 346.475 2.224 20 30 EEEDLP C#Cc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000195342426 464044128 /nfs/dbraw/zinc/04/41/28/464044128.db2.gz YVLHANASFNMEOE-UHFFFAOYSA-N 2 2 340.471 2.348 20 30 EEEDLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000173616392 464294494 /nfs/dbraw/zinc/29/44/94/464294494.db2.gz STBMLNIJENJSLX-GOSISDBHSA-N 2 2 326.444 2.126 20 30 EEEDLP Cc1nc(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc[nH+]1 ZINC000281386264 464436094 /nfs/dbraw/zinc/43/60/94/464436094.db2.gz PMPPPKDZZFFCOK-UHFFFAOYSA-N 2 2 329.448 2.008 20 30 EEEDLP CC(C)N(C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000266998850 464899380 /nfs/dbraw/zinc/89/93/80/464899380.db2.gz GEHJCVRFGZDIFZ-UHFFFAOYSA-N 2 2 334.464 2.031 20 30 EEEDLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329687113 465406382 /nfs/dbraw/zinc/40/63/82/465406382.db2.gz BQSCHLNUYMDGEA-HNNXBMFYSA-N 2 2 333.480 2.201 20 30 EEEDLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329687113 465406388 /nfs/dbraw/zinc/40/63/88/465406388.db2.gz BQSCHLNUYMDGEA-HNNXBMFYSA-N 2 2 333.480 2.201 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000411232996 466789969 /nfs/dbraw/zinc/78/99/69/466789969.db2.gz WWLINGKZALLAFI-UHFFFAOYSA-N 2 2 344.459 2.102 20 30 EEEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411239239 466790650 /nfs/dbraw/zinc/79/06/50/466790650.db2.gz QMTCJKLZAPPSDF-UHFFFAOYSA-N 2 2 334.508 2.337 20 30 EEEDLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424148983 466990403 /nfs/dbraw/zinc/99/04/03/466990403.db2.gz VNAQPUBYWRIKRE-QGZVFWFLSA-N 2 2 343.475 2.168 20 30 EEEDLP Cc1cc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425212241 467088676 /nfs/dbraw/zinc/08/86/76/467088676.db2.gz ZJSLILIMMUPCPY-QGZVFWFLSA-N 2 2 335.455 2.306 20 30 EEEDLP COCC1(C#N)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420965738 467520495 /nfs/dbraw/zinc/52/04/95/467520495.db2.gz PPLSVXXMIIFRKY-UHFFFAOYSA-N 2 2 343.471 2.271 20 30 EEEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCOC1 ZINC000602706346 469024332 /nfs/dbraw/zinc/02/43/32/469024332.db2.gz ORVRCIIXIARKER-AZUAARDMSA-N 2 2 343.471 2.164 20 30 EEEDLP CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611476973 469256898 /nfs/dbraw/zinc/25/68/98/469256898.db2.gz BSLINGBNKSUYNT-IBGZPJMESA-N 2 2 342.487 2.273 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000106245061 526604926 /nfs/dbraw/zinc/60/49/26/526604926.db2.gz MIHWQDCFPVRVRW-UHFFFAOYSA-N 2 2 336.505 2.110 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000732086138 577147592 /nfs/dbraw/zinc/14/75/92/577147592.db2.gz XUGMHFIXHVTGAR-SFHVURJKSA-N 2 2 329.444 2.053 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000732086138 577147594 /nfs/dbraw/zinc/14/75/94/577147594.db2.gz XUGMHFIXHVTGAR-SFHVURJKSA-N 2 2 329.444 2.053 20 30 EEEDLP CC(=[NH+]NC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(N2CCOCC2)cc1 ZINC000753938161 577796924 /nfs/dbraw/zinc/79/69/24/577796924.db2.gz IUJORWYGJWJNRC-ROUUACIJSA-N 2 2 341.459 2.107 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982635042 681921531 /nfs/dbraw/zinc/92/15/31/681921531.db2.gz WJAZVZQKLYJZLU-LZQZEXGQSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982635042 681921534 /nfs/dbraw/zinc/92/15/34/681921534.db2.gz WJAZVZQKLYJZLU-LZQZEXGQSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982635042 681921536 /nfs/dbraw/zinc/92/15/36/681921536.db2.gz WJAZVZQKLYJZLU-LZQZEXGQSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982635042 681921539 /nfs/dbraw/zinc/92/15/39/681921539.db2.gz WJAZVZQKLYJZLU-LZQZEXGQSA-N 2 2 330.476 2.335 20 30 EEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1ccc(Br)cc1 ZINC000261750499 681976771 /nfs/dbraw/zinc/97/67/71/681976771.db2.gz DTDYYDMCQVQJMZ-UHFFFAOYSA-N 2 2 339.281 2.162 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294809 682405445 /nfs/dbraw/zinc/40/54/45/682405445.db2.gz CVBTYEVIVUFKMO-MOPGFXCFSA-N 2 2 342.487 2.222 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294809 682405449 /nfs/dbraw/zinc/40/54/49/682405449.db2.gz CVBTYEVIVUFKMO-MOPGFXCFSA-N 2 2 342.487 2.222 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303666 682409038 /nfs/dbraw/zinc/40/90/38/682409038.db2.gz ITYCINQLTLUMFM-HOTGVXAUSA-N 2 2 336.867 2.481 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303666 682409041 /nfs/dbraw/zinc/40/90/41/682409041.db2.gz ITYCINQLTLUMFM-HOTGVXAUSA-N 2 2 336.867 2.481 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297813 682411697 /nfs/dbraw/zinc/41/16/97/682411697.db2.gz QQPDPUUMPHCAQQ-MOPGFXCFSA-N 2 2 342.487 2.222 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297813 682411698 /nfs/dbraw/zinc/41/16/98/682411698.db2.gz QQPDPUUMPHCAQQ-MOPGFXCFSA-N 2 2 342.487 2.222 20 30 EEEDLP C[NH+]=C(NC[C@H](c1ccc(F)cc1)[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261940458 682497804 /nfs/dbraw/zinc/49/78/04/682497804.db2.gz DLRBEFOLPHKSEQ-IEBWSBKVSA-N 2 2 348.466 2.116 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000894863606 683229712 /nfs/dbraw/zinc/22/97/12/683229712.db2.gz LYMFYJZWGQRFFS-UHFFFAOYSA-N 2 2 346.250 2.464 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000894863606 683229713 /nfs/dbraw/zinc/22/97/13/683229713.db2.gz LYMFYJZWGQRFFS-UHFFFAOYSA-N 2 2 346.250 2.464 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@H]12 ZINC001026377050 684490792 /nfs/dbraw/zinc/49/07/92/684490792.db2.gz LNCGQVARKGQTIZ-BPQIPLTHSA-N 2 2 338.455 2.198 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000985749868 687613589 /nfs/dbraw/zinc/61/35/89/687613589.db2.gz XNWWQTFWORMHCG-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000985749868 687613592 /nfs/dbraw/zinc/61/35/92/687613592.db2.gz XNWWQTFWORMHCG-UHFFFAOYSA-N 2 2 339.443 2.380 20 30 EEEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458450 691909959 /nfs/dbraw/zinc/90/99/59/691909959.db2.gz JAAFCPGJXMOUFT-FQEVSTJZSA-N 2 2 327.472 2.021 20 30 EEEDLP CC#CC[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458450 691909961 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YYMKJDGZYMMZGC-MSOLQXFVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC)O2 ZINC001053687786 1246650887 /nfs/dbraw/zinc/65/08/87/1246650887.db2.gz YYMKJDGZYMMZGC-MSOLQXFVSA-N 2 2 349.519 2.177 20 30 EEEDLP CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045709 1247221964 /nfs/dbraw/zinc/22/19/64/1247221964.db2.gz WIXJRWRQYITPOJ-VQTJNVASSA-N 2 2 339.483 2.037 20 30 EEEDLP CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045709 1247221970 /nfs/dbraw/zinc/22/19/70/1247221970.db2.gz WIXJRWRQYITPOJ-VQTJNVASSA-N 2 2 339.483 2.037 20 30 EEEDLP CC#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001054045709 1247221977 /nfs/dbraw/zinc/22/19/77/1247221977.db2.gz WIXJRWRQYITPOJ-VQTJNVASSA-N 2 2 339.483 2.037 20 30 EEEDLP CC#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001054045709 1247221986 /nfs/dbraw/zinc/22/19/86/1247221986.db2.gz WIXJRWRQYITPOJ-VQTJNVASSA-N 2 2 339.483 2.037 20 30 EEEDLP 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C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)cc2C1 ZINC001054292366 1248029056 /nfs/dbraw/zinc/02/90/56/1248029056.db2.gz BIFZLERGKITSEM-IBGZPJMESA-N 2 2 325.456 2.126 20 30 EEEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292366 1248029059 /nfs/dbraw/zinc/02/90/59/1248029059.db2.gz BIFZLERGKITSEM-IBGZPJMESA-N 2 2 325.456 2.126 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292366 1248029061 /nfs/dbraw/zinc/02/90/61/1248029061.db2.gz BIFZLERGKITSEM-IBGZPJMESA-N 2 2 325.456 2.126 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992432 1280611610 /nfs/dbraw/zinc/61/16/10/1280611610.db2.gz KPGCBRJFZZAKCP-XYJFISCASA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992432 1280611622 /nfs/dbraw/zinc/61/16/22/1280611622.db2.gz KPGCBRJFZZAKCP-XYJFISCASA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748879 1294147639 /nfs/dbraw/zinc/14/76/39/1294147639.db2.gz WXUKTLADCVGNHH-MMNPAVHPSA-N 2 2 346.475 2.426 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748879 1294147644 /nfs/dbraw/zinc/14/76/44/1294147644.db2.gz WXUKTLADCVGNHH-MMNPAVHPSA-N 2 2 346.475 2.426 20 30 EEEDLP C#CCCOC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000859078536 1294311579 /nfs/dbraw/zinc/31/15/79/1294311579.db2.gz BJRXVOHZHDDGAR-MSOLQXFVSA-N 2 2 335.492 2.415 20 30 EEEDLP C#CCCOC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000859078536 1294311590 /nfs/dbraw/zinc/31/15/90/1294311590.db2.gz BJRXVOHZHDDGAR-MSOLQXFVSA-N 2 2 335.492 2.415 20 30 EEEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001219270880 1297969256 /nfs/dbraw/zinc/96/92/56/1297969256.db2.gz OKAZCNVZXWKSHA-POAQFYNOSA-N 2 2 332.407 2.386 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848244 1298720273 /nfs/dbraw/zinc/72/02/73/1298720273.db2.gz CAWIYWJWULYSSL-JXFKEZNVSA-N 2 2 342.487 2.309 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848244 1298720284 /nfs/dbraw/zinc/72/02/84/1298720284.db2.gz CAWIYWJWULYSSL-JXFKEZNVSA-N 2 2 342.487 2.309 20 30 EEEDLP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099164487 1298944528 /nfs/dbraw/zinc/94/45/28/1298944528.db2.gz DPAKHRBFXRMMBO-KRWDZBQOSA-N 2 2 348.491 2.083 20 30 EEEDLP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099164487 1298944532 /nfs/dbraw/zinc/94/45/32/1298944532.db2.gz DPAKHRBFXRMMBO-KRWDZBQOSA-N 2 2 348.491 2.083 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102079807 1300258287 /nfs/dbraw/zinc/25/82/87/1300258287.db2.gz GAACERQVNRQOHD-IUODEOHRSA-N 2 2 338.883 2.363 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102079807 1300258298 /nfs/dbraw/zinc/25/82/98/1300258298.db2.gz GAACERQVNRQOHD-IUODEOHRSA-N 2 2 338.883 2.363 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001228032823 1302064507 /nfs/dbraw/zinc/06/45/07/1302064507.db2.gz MCPIAAIUDJEAMS-HOTGVXAUSA-N 2 2 330.476 2.381 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162548 1302359296 /nfs/dbraw/zinc/35/92/96/1302359296.db2.gz BGEJVUDXCPZHLR-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162548 1302359310 /nfs/dbraw/zinc/35/93/10/1302359310.db2.gz BGEJVUDXCPZHLR-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001228868622 1302493877 /nfs/dbraw/zinc/49/38/77/1302493877.db2.gz GGERVPIOGMRPBG-QZTJIDSGSA-N 2 2 349.519 2.225 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)s1 ZINC001232843440 1304269574 /nfs/dbraw/zinc/26/95/74/1304269574.db2.gz XSILTGXPFJJXIP-UHFFFAOYSA-N 2 2 341.484 2.470 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)s1 ZINC001232843440 1304269580 /nfs/dbraw/zinc/26/95/80/1304269580.db2.gz XSILTGXPFJJXIP-UHFFFAOYSA-N 2 2 341.484 2.470 20 30 EEEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115603908 1305487008 /nfs/dbraw/zinc/48/70/08/1305487008.db2.gz YWWWQYXWOTUFOC-MRXNPFEDSA-N 2 2 330.476 2.430 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCCCC1 ZINC001115689371 1305618761 /nfs/dbraw/zinc/61/87/61/1305618761.db2.gz DSTVVVUTAIXIHI-SFHVURJKSA-N 2 2 349.519 2.225 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115689371 1305618774 /nfs/dbraw/zinc/61/87/74/1305618774.db2.gz DSTVVVUTAIXIHI-SFHVURJKSA-N 2 2 349.519 2.225 20 30 EEEDLP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725073 1305674111 /nfs/dbraw/zinc/67/41/11/1305674111.db2.gz IVNRBZKRKCRWIE-HNNXBMFYSA-N 2 2 328.460 2.262 20 30 EEEDLP C=CCOC(=O)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772336 1314664275 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MQDXDASQHKVMAN-QFBILLFUSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816309 1321967197 /nfs/dbraw/zinc/96/71/97/1321967197.db2.gz VCUCIYQXTGRIHM-CABCVRRESA-N 2 2 336.867 2.433 20 30 EEEDLP C=CCCCC[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001209201131 1324850164 /nfs/dbraw/zinc/85/01/64/1324850164.db2.gz VFZDNIVRWUNYFZ-SFHVURJKSA-N 2 2 347.507 2.183 20 30 EEEDLP C=CCCCC[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001209201131 1324850167 /nfs/dbraw/zinc/85/01/67/1324850167.db2.gz VFZDNIVRWUNYFZ-SFHVURJKSA-N 2 2 347.507 2.183 20 30 EEEDLP C[C@@H](C#N)OCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107857 1331565274 /nfs/dbraw/zinc/56/52/74/1331565274.db2.gz ZRXCEGYKTQRHQB-SFHVURJKSA-N 2 2 331.460 2.140 20 30 EEEDLP C[C@@H](C#N)OCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107857 1331565277 /nfs/dbraw/zinc/56/52/77/1331565277.db2.gz ZRXCEGYKTQRHQB-SFHVURJKSA-N 2 2 331.460 2.140 20 30 EEEDLP C[C@@H](C#N)OCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107857 1331565279 /nfs/dbraw/zinc/56/52/79/1331565279.db2.gz ZRXCEGYKTQRHQB-SFHVURJKSA-N 2 2 331.460 2.140 20 30 EEEDLP C[C@@H](C#N)OCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107857 1331565281 /nfs/dbraw/zinc/56/52/81/1331565281.db2.gz ZRXCEGYKTQRHQB-SFHVURJKSA-N 2 2 331.460 2.140 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC001323488628 1333474047 /nfs/dbraw/zinc/47/40/47/1333474047.db2.gz ALJVYXUYKPZIIU-UHFFFAOYSA-N 2 2 345.406 2.258 20 30 EEEDLP N#Cc1ccc(C2=CC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001580066859 1344461907 /nfs/dbraw/zinc/46/19/07/1344461907.db2.gz XMBFOZVKNCASAN-IBGZPJMESA-N 2 2 348.454 2.364 20 30 EEEDLP N#Cc1ccc(C2=CC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001580066859 1344461909 /nfs/dbraw/zinc/46/19/09/1344461909.db2.gz XMBFOZVKNCASAN-IBGZPJMESA-N 2 2 348.454 2.364 20 30 EEEDLP C=CCCCC[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273499874 1368149091 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C=CCC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1CC ZINC001087580581 781875765 /nfs/dbraw/zinc/87/57/65/781875765.db2.gz NMHBBCHLTZIPSQ-BMGDILEWSA-N 2 2 345.491 2.335 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1CC ZINC001087580581 781875773 /nfs/dbraw/zinc/87/57/73/781875773.db2.gz NMHBBCHLTZIPSQ-BMGDILEWSA-N 2 2 345.491 2.335 20 30 EEEDLP C=CCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1CC ZINC001087580581 781875779 /nfs/dbraw/zinc/87/57/79/781875779.db2.gz NMHBBCHLTZIPSQ-BMGDILEWSA-N 2 2 345.491 2.335 20 30 EEEDLP C=CCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H]1CC ZINC001087580581 781875789 /nfs/dbraw/zinc/87/57/89/781875789.db2.gz NMHBBCHLTZIPSQ-BMGDILEWSA-N 2 2 345.491 2.335 20 30 EEEDLP C=C(Br)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817285822 784627743 /nfs/dbraw/zinc/62/77/43/784627743.db2.gz OHNRMSGVKXQRAR-UHFFFAOYSA-N 2 2 330.314 2.387 20 30 EEEDLP C=C(Br)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817285822 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2 2 328.460 2.074 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001147804378 791943947 /nfs/dbraw/zinc/94/39/47/791943947.db2.gz LZBYVGKPDFTWMG-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001147804378 791943954 /nfs/dbraw/zinc/94/39/54/791943954.db2.gz LZBYVGKPDFTWMG-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001147804378 791943959 /nfs/dbraw/zinc/94/39/59/791943959.db2.gz LZBYVGKPDFTWMG-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001147804378 791943964 /nfs/dbraw/zinc/94/39/64/791943964.db2.gz LZBYVGKPDFTWMG-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001147804340 791944434 /nfs/dbraw/zinc/94/44/34/791944434.db2.gz KPBDKYADMFOAPG-IRXDYDNUSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001147804340 791944437 /nfs/dbraw/zinc/94/44/37/791944437.db2.gz KPBDKYADMFOAPG-IRXDYDNUSA-N 2 2 342.487 2.335 20 30 EEEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992031306 792394027 /nfs/dbraw/zinc/39/40/27/792394027.db2.gz NMNSRHLATLILNL-AZUAARDMSA-N 2 2 334.423 2.232 20 30 EEEDLP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992031306 792394035 /nfs/dbraw/zinc/39/40/35/792394035.db2.gz NMNSRHLATLILNL-AZUAARDMSA-N 2 2 334.423 2.232 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091755219 792781582 /nfs/dbraw/zinc/78/15/82/792781582.db2.gz HJAHCWKLIUGPIJ-NNFUDEMPSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091755219 792781592 /nfs/dbraw/zinc/78/15/92/792781592.db2.gz HJAHCWKLIUGPIJ-NNFUDEMPSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091755219 792781601 /nfs/dbraw/zinc/78/16/01/792781601.db2.gz HJAHCWKLIUGPIJ-NNFUDEMPSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091755219 792781614 /nfs/dbraw/zinc/78/16/14/792781614.db2.gz HJAHCWKLIUGPIJ-NNFUDEMPSA-N 2 2 328.460 2.260 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001086928063 793053250 /nfs/dbraw/zinc/05/32/50/793053250.db2.gz UXJPLEQPMHGGBD-BRWVUGGUSA-N 2 2 340.471 2.240 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001086928063 793053255 /nfs/dbraw/zinc/05/32/55/793053255.db2.gz UXJPLEQPMHGGBD-BRWVUGGUSA-N 2 2 340.471 2.240 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304522 793781071 /nfs/dbraw/zinc/78/10/71/793781071.db2.gz MAHMXTNUASCQHJ-HBFSDRIKSA-N 2 2 342.487 2.041 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304522 793781079 /nfs/dbraw/zinc/78/10/79/793781079.db2.gz MAHMXTNUASCQHJ-HBFSDRIKSA-N 2 2 342.487 2.041 20 30 EEEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC000992393134 793936942 /nfs/dbraw/zinc/93/69/42/793936942.db2.gz CDPPOPSSEIBZOS-UYAOXDASSA-N 2 2 349.438 2.017 20 30 EEEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC000992393134 793936948 /nfs/dbraw/zinc/93/69/48/793936948.db2.gz CDPPOPSSEIBZOS-UYAOXDASSA-N 2 2 349.438 2.017 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001079162242 794438650 /nfs/dbraw/zinc/43/86/50/794438650.db2.gz BFXNDKGELOWFIL-ZWKOTPCHSA-N 2 2 342.418 2.183 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748627 794763399 /nfs/dbraw/zinc/76/33/99/794763399.db2.gz IZUPQFCSQQKCTC-DLBZAZTESA-N 2 2 330.476 2.426 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748627 794763404 /nfs/dbraw/zinc/76/34/04/794763404.db2.gz IZUPQFCSQQKCTC-DLBZAZTESA-N 2 2 330.476 2.426 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509793 796337600 /nfs/dbraw/zinc/33/76/00/796337600.db2.gz MBLCFRKMVZXSBY-ZSZQSSIHSA-N 2 2 328.460 2.376 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094509793 796337607 /nfs/dbraw/zinc/33/76/07/796337607.db2.gz MBLCFRKMVZXSBY-ZSZQSSIHSA-N 2 2 328.460 2.376 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171596801 796653549 /nfs/dbraw/zinc/65/35/49/796653549.db2.gz RSOAWVCHFNRFMI-CABCVRRESA-N 2 2 338.883 2.463 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C12CCC2 ZINC001078771373 796963914 /nfs/dbraw/zinc/96/39/14/796963914.db2.gz SXQUCQLXIMIVLH-IRXDYDNUSA-N 2 2 337.427 2.084 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450952 798330517 /nfs/dbraw/zinc/33/05/17/798330517.db2.gz GZAXAPXXALJQJC-GVDBMIGSSA-N 2 2 348.491 2.097 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450952 798330523 /nfs/dbraw/zinc/33/05/23/798330523.db2.gz GZAXAPXXALJQJC-GVDBMIGSSA-N 2 2 348.491 2.097 20 30 EEEDLP CCCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177157575 798780052 /nfs/dbraw/zinc/78/00/52/798780052.db2.gz SUTYQNGWRJCZFR-ROUUACIJSA-N 2 2 348.491 2.155 20 30 EEEDLP CCCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177157575 798780054 /nfs/dbraw/zinc/78/00/54/798780054.db2.gz SUTYQNGWRJCZFR-ROUUACIJSA-N 2 2 348.491 2.155 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179777508 800082778 /nfs/dbraw/zinc/08/27/78/800082778.db2.gz YIDDBTVXTFYROF-MRXNPFEDSA-N 2 2 336.480 2.057 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179777508 800082782 /nfs/dbraw/zinc/08/27/82/800082782.db2.gz YIDDBTVXTFYROF-MRXNPFEDSA-N 2 2 336.480 2.057 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085249921 800287364 /nfs/dbraw/zinc/28/73/64/800287364.db2.gz WXTCNTDZMGUCKB-RRFJBIMHSA-N 2 2 336.867 2.215 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C ZINC001085646790 800952937 /nfs/dbraw/zinc/95/29/37/800952937.db2.gz PYLXNBBBOUKIIJ-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccccc1C ZINC001085646790 800952943 /nfs/dbraw/zinc/95/29/43/800952943.db2.gz PYLXNBBBOUKIIJ-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccccc1C ZINC001085646790 800952949 /nfs/dbraw/zinc/95/29/49/800952949.db2.gz PYLXNBBBOUKIIJ-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182579249 801253618 /nfs/dbraw/zinc/25/36/18/801253618.db2.gz GZHULOSSCIGJOE-ZRGWGRIASA-N 2 2 330.476 2.480 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184651041 802116302 /nfs/dbraw/zinc/11/63/02/802116302.db2.gz BSOCHXVRDIVVIA-HZPDHXFCSA-N 2 2 331.460 2.283 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001113252424 808571309 /nfs/dbraw/zinc/57/13/09/808571309.db2.gz OHQGGRIZDQJAHH-MJGOQNOKSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001113252424 808571314 /nfs/dbraw/zinc/57/13/14/808571314.db2.gz OHQGGRIZDQJAHH-MJGOQNOKSA-N 2 2 349.519 2.129 20 30 EEEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595214 809078365 /nfs/dbraw/zinc/07/83/65/809078365.db2.gz QIIOZLPPNXYSIA-FXAWDEMLSA-N 2 2 344.418 2.394 20 30 EEEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595214 809078372 /nfs/dbraw/zinc/07/83/72/809078372.db2.gz QIIOZLPPNXYSIA-FXAWDEMLSA-N 2 2 344.418 2.394 20 30 EEEDLP O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001130265958 811378412 /nfs/dbraw/zinc/37/84/12/811378412.db2.gz GERIFKYKCTTWBQ-UHFFFAOYSA-N 2 2 336.370 2.073 20 30 EEEDLP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@H](C)O2 ZINC001131665065 813093317 /nfs/dbraw/zinc/09/33/17/813093317.db2.gz DDXJNSXJKLXAKN-LPHOPBHVSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C[C@H](C)O2 ZINC001131665065 813093326 /nfs/dbraw/zinc/09/33/26/813093326.db2.gz DDXJNSXJKLXAKN-LPHOPBHVSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001131665065 813093339 /nfs/dbraw/zinc/09/33/39/813093339.db2.gz DDXJNSXJKLXAKN-LPHOPBHVSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001131665065 813093350 /nfs/dbraw/zinc/09/33/50/813093350.db2.gz DDXJNSXJKLXAKN-LPHOPBHVSA-N 2 2 346.475 2.000 20 30 EEEDLP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)CC(C)(C)C ZINC001442512458 1096865773 /nfs/dbraw/zinc/86/57/73/1096865773.db2.gz LAGDFIZQDUERLW-UHFFFAOYSA-N 2 2 348.466 2.223 20 30 EEEDLP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)CC(C)(C)C ZINC001442512458 1096865780 /nfs/dbraw/zinc/86/57/80/1096865780.db2.gz LAGDFIZQDUERLW-UHFFFAOYSA-N 2 2 348.466 2.223 20 30 EEEDLP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1ccc(C#N)cc1F ZINC001442512458 1096865784 /nfs/dbraw/zinc/86/57/84/1096865784.db2.gz LAGDFIZQDUERLW-UHFFFAOYSA-N 2 2 348.466 2.223 20 30 EEEDLP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1ccc(C#N)cc1F ZINC001442512458 1096865791 /nfs/dbraw/zinc/86/57/91/1096865791.db2.gz LAGDFIZQDUERLW-UHFFFAOYSA-N 2 2 348.466 2.223 20 30 EEEDLP N#Cc1ccc(C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCC2)s1 ZINC001495190844 1100869271 /nfs/dbraw/zinc/86/92/71/1100869271.db2.gz FJRVGHVNCCBENQ-UHFFFAOYSA-N 2 2 343.456 2.104 20 30 EEEDLP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(C#N)cc1 ZINC001493329375 1107939450 /nfs/dbraw/zinc/93/94/50/1107939450.db2.gz FRRTUZZQBZKLBH-UHFFFAOYSA-N 2 2 339.443 2.161 20 30 EEEDLP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(C#N)cc1 ZINC001493329375 1107939454 /nfs/dbraw/zinc/93/94/54/1107939454.db2.gz FRRTUZZQBZKLBH-UHFFFAOYSA-N 2 2 339.443 2.161 20 30 EEEDLP Cc1cnc([C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000329244137 539769641 /nfs/dbraw/zinc/76/96/41/539769641.db2.gz POVPWAILYFYTFP-AWEZNQCLSA-N 2 2 349.479 2.106 20 30 EEEDLP C=CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000271533762 201244877 /nfs/dbraw/zinc/24/48/77/201244877.db2.gz XSRBGXZWWHIRBW-UHFFFAOYSA-N 2 2 329.444 2.108 20 30 EEEDLP C=CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000271533762 201244881 /nfs/dbraw/zinc/24/48/81/201244881.db2.gz XSRBGXZWWHIRBW-UHFFFAOYSA-N 2 2 329.444 2.108 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000170910095 463739722 /nfs/dbraw/zinc/73/97/22/463739722.db2.gz CRNIALPCZXIVFZ-UHFFFAOYSA-N 2 2 344.484 2.219 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000170910095 463739729 /nfs/dbraw/zinc/73/97/29/463739729.db2.gz CRNIALPCZXIVFZ-UHFFFAOYSA-N 2 2 344.484 2.219 20 30 EEEDLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000268695748 463788838 /nfs/dbraw/zinc/78/88/38/463788838.db2.gz SSJPGGXRNWKXMT-MRXNPFEDSA-N 2 2 344.484 2.091 20 30 EEEDLP Cc1cc[nH+]cc1CCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000289158630 464069463 /nfs/dbraw/zinc/06/94/63/464069463.db2.gz DKYBWLVCIIFHNB-MRXNPFEDSA-N 2 2 336.443 2.195 20 30 EEEDLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000289158630 464069470 /nfs/dbraw/zinc/06/94/70/464069470.db2.gz DKYBWLVCIIFHNB-MRXNPFEDSA-N 2 2 336.443 2.195 20 30 EEEDLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000329841641 465450491 /nfs/dbraw/zinc/45/04/91/465450491.db2.gz WUPCMRIJKYALDC-HZPDHXFCSA-N 2 2 333.480 2.481 20 30 EEEDLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000329841641 465450492 /nfs/dbraw/zinc/45/04/92/465450492.db2.gz 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/nfs/dbraw/zinc/38/13/66/1245381366.db2.gz SUQGVRWJCKBXHK-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001051201707 1245381372 /nfs/dbraw/zinc/38/13/72/1245381372.db2.gz SUQGVRWJCKBXHK-MSOLQXFVSA-N 2 2 337.508 2.034 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053091676 1245880513 /nfs/dbraw/zinc/88/05/13/1245880513.db2.gz BZUKFCVGHKGQIA-MOPGFXCFSA-N 2 2 342.487 2.390 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053091676 1245880521 /nfs/dbraw/zinc/88/05/21/1245880521.db2.gz BZUKFCVGHKGQIA-MOPGFXCFSA-N 2 2 342.487 2.390 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581070 1245989229 /nfs/dbraw/zinc/98/92/29/1245989229.db2.gz HQJXVTWHVVFIDR-OAHLLOKOSA-N 2 2 330.476 2.076 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581070 1245989237 /nfs/dbraw/zinc/98/92/37/1245989237.db2.gz HQJXVTWHVVFIDR-OAHLLOKOSA-N 2 2 330.476 2.076 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123852 1247458743 /nfs/dbraw/zinc/45/87/43/1247458743.db2.gz DBXMUKOAGYMKCC-KRWDZBQOSA-N 2 2 336.867 2.409 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123852 1247458747 /nfs/dbraw/zinc/45/87/47/1247458747.db2.gz DBXMUKOAGYMKCC-KRWDZBQOSA-N 2 2 336.867 2.409 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200451 1247696226 /nfs/dbraw/zinc/69/62/26/1247696226.db2.gz XOMDPQBYMLPPBF-MBOZVWFJSA-N 2 2 342.487 2.414 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200451 1247696240 /nfs/dbraw/zinc/69/62/40/1247696240.db2.gz XOMDPQBYMLPPBF-MBOZVWFJSA-N 2 2 342.487 2.414 20 30 EEEDLP C=CCCCC[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273501771 1278596381 /nfs/dbraw/zinc/59/63/81/1278596381.db2.gz VXBJJWUQMYCSIS-KRWDZBQOSA-N 2 2 330.476 2.458 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185594866 1278710964 /nfs/dbraw/zinc/71/09/64/1278710964.db2.gz KKZHNQHNBYYLTR-SJORKVTESA-N 2 2 332.492 2.393 20 30 EEEDLP C[NH+](C)CCC[N@@H+]1CCC[C@@]12CCN(Cc1cccc(C#N)c1)C2=O ZINC001273711922 1283901914 /nfs/dbraw/zinc/90/19/14/1283901914.db2.gz MRAHMTBHFQJINP-FQEVSTJZSA-N 2 2 340.471 2.077 20 30 EEEDLP C[NH+](C)CCC[N@H+]1CCC[C@@]12CCN(Cc1cccc(C#N)c1)C2=O ZINC001273711922 1283901916 /nfs/dbraw/zinc/90/19/16/1283901916.db2.gz MRAHMTBHFQJINP-FQEVSTJZSA-N 2 2 340.471 2.077 20 30 EEEDLP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001197706533 1284764522 /nfs/dbraw/zinc/76/45/22/1284764522.db2.gz KGNFGEQPBPJNBZ-UHFFFAOYSA-N 2 2 345.462 2.053 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001197706533 1284764529 /nfs/dbraw/zinc/76/45/29/1284764529.db2.gz KGNFGEQPBPJNBZ-UHFFFAOYSA-N 2 2 345.462 2.053 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197706533 1284764533 /nfs/dbraw/zinc/76/45/33/1284764533.db2.gz KGNFGEQPBPJNBZ-UHFFFAOYSA-N 2 2 345.462 2.053 20 30 EEEDLP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197706533 1284764538 /nfs/dbraw/zinc/76/45/38/1284764538.db2.gz KGNFGEQPBPJNBZ-UHFFFAOYSA-N 2 2 345.462 2.053 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071870739 1294956238 /nfs/dbraw/zinc/95/62/38/1294956238.db2.gz CYSPBFFCOUFWKX-GDBMZVCRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071870739 1294956239 /nfs/dbraw/zinc/95/62/39/1294956239.db2.gz CYSPBFFCOUFWKX-GDBMZVCRSA-N 2 2 327.900 2.440 20 30 EEEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001073603273 1297299875 /nfs/dbraw/zinc/29/98/75/1297299875.db2.gz BEUNZHHOSAYIKM-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001073603273 1297299879 /nfs/dbraw/zinc/29/98/79/1297299879.db2.gz BEUNZHHOSAYIKM-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP N#Cc1nc2ccc(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)cc2s1 ZINC001218910235 1297860590 /nfs/dbraw/zinc/86/05/90/1297860590.db2.gz GMKSYEUESKBZLD-ZDUSSCGKSA-N 2 2 337.408 2.379 20 30 EEEDLP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]1C[NH2+]CCC2 ZINC001222130970 1299374767 /nfs/dbraw/zinc/37/47/67/1299374767.db2.gz MGLKEYBTSAUOET-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]1C[NH2+]CCC2 ZINC001222130970 1299374779 /nfs/dbraw/zinc/37/47/79/1299374779.db2.gz MGLKEYBTSAUOET-LPHOPBHVSA-N 2 2 345.418 2.062 20 30 EEEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001223260561 1300044053 /nfs/dbraw/zinc/04/40/53/1300044053.db2.gz YABPQWRGJJNVOK-UHFFFAOYSA-N 2 2 330.476 2.166 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458255 1309555102 /nfs/dbraw/zinc/55/51/02/1309555102.db2.gz DLKJSLDEFIGLHR-RTBURBONSA-N 2 2 342.487 2.390 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458255 1309555112 /nfs/dbraw/zinc/55/51/12/1309555112.db2.gz DLKJSLDEFIGLHR-RTBURBONSA-N 2 2 342.487 2.390 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246305659 1310276833 /nfs/dbraw/zinc/27/68/33/1310276833.db2.gz INJDZYWVVUWEEL-AEFFLSMTSA-N 3 2 337.508 2.210 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246305659 1310276836 /nfs/dbraw/zinc/27/68/36/1310276836.db2.gz INJDZYWVVUWEEL-AEFFLSMTSA-N 3 2 337.508 2.210 20 30 EEEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001202928178 1314736455 /nfs/dbraw/zinc/73/64/55/1314736455.db2.gz DGVLJKHVHJERTR-SJORKVTESA-N 2 2 336.439 2.297 20 30 EEEDLP N#CC1CCC([NH2+]C2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256960094 1318905119 /nfs/dbraw/zinc/90/51/19/1318905119.db2.gz YXCCRASKTVPIMB-UHFFFAOYSA-N 2 2 340.471 2.178 20 30 EEEDLP COC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001258350904 1319236781 /nfs/dbraw/zinc/23/67/81/1319236781.db2.gz FLINSJQNEDNMEM-OAHLLOKOSA-N 2 2 329.444 2.454 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001258727207 1319328153 /nfs/dbraw/zinc/32/81/53/1319328153.db2.gz CPCABJVWKAQHPP-HNNXBMFYSA-N 2 2 327.432 2.049 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001258727207 1319328162 /nfs/dbraw/zinc/32/81/62/1319328162.db2.gz CPCABJVWKAQHPP-HNNXBMFYSA-N 2 2 327.432 2.049 20 30 EEEDLP C=CCC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2)(COC)CC1 ZINC001162512758 1320882801 /nfs/dbraw/zinc/88/28/01/1320882801.db2.gz CVIMXFQXCWEUAS-KRWDZBQOSA-N 2 2 348.491 2.255 20 30 EEEDLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001163594380 1321165591 /nfs/dbraw/zinc/16/55/91/1321165591.db2.gz XQMJKWPGHMOBJR-UHFFFAOYSA-N 2 2 344.846 2.074 20 30 EEEDLP C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426160 1325280822 /nfs/dbraw/zinc/28/08/22/1325280822.db2.gz AVKRILRZYYPYIS-TZMCWYRMSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426160 1325280828 /nfs/dbraw/zinc/28/08/28/1325280828.db2.gz AVKRILRZYYPYIS-TZMCWYRMSA-N 2 2 346.313 2.063 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001340263744 1337148170 /nfs/dbraw/zinc/14/81/70/1337148170.db2.gz HLNQEVDDJNMYKM-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001340263744 1337148172 /nfs/dbraw/zinc/14/81/72/1337148172.db2.gz HLNQEVDDJNMYKM-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001340263744 1337148175 /nfs/dbraw/zinc/14/81/75/1337148175.db2.gz HLNQEVDDJNMYKM-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001340263744 1337148178 /nfs/dbraw/zinc/14/81/78/1337148178.db2.gz HLNQEVDDJNMYKM-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CCC2)s1 ZINC001376773399 1378730828 /nfs/dbraw/zinc/73/08/28/1378730828.db2.gz XYKRLFHBUBYYMT-UHFFFAOYSA-N 2 2 343.456 2.035 20 30 EEEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccccc1C#N ZINC001377189208 1379026873 /nfs/dbraw/zinc/02/68/73/1379026873.db2.gz ISPCMMAGNRLOHI-IBGZPJMESA-N 2 2 342.487 2.227 20 30 EEEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccccc1C#N ZINC001377189208 1379026877 /nfs/dbraw/zinc/02/68/77/1379026877.db2.gz ISPCMMAGNRLOHI-IBGZPJMESA-N 2 2 342.487 2.227 20 30 EEEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001377189208 1379026880 /nfs/dbraw/zinc/02/68/80/1379026880.db2.gz ISPCMMAGNRLOHI-IBGZPJMESA-N 2 2 342.487 2.227 20 30 EEEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001377189208 1379026885 /nfs/dbraw/zinc/02/68/85/1379026885.db2.gz ISPCMMAGNRLOHI-IBGZPJMESA-N 2 2 342.487 2.227 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC[NH+](C)C ZINC001397000922 1391001051 /nfs/dbraw/zinc/00/10/51/1391001051.db2.gz NVHJYIXONPDNID-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)CCC[NH+](C)C ZINC001397000922 1391001053 /nfs/dbraw/zinc/00/10/53/1391001053.db2.gz NVHJYIXONPDNID-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399723673 1395444050 /nfs/dbraw/zinc/44/40/50/1395444050.db2.gz SXUXRTPINYPJPA-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399723673 1395444054 /nfs/dbraw/zinc/44/40/54/1395444054.db2.gz SXUXRTPINYPJPA-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC001399723673 1395444057 /nfs/dbraw/zinc/44/40/57/1395444057.db2.gz SXUXRTPINYPJPA-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC001399723673 1395444065 /nfs/dbraw/zinc/44/40/65/1395444065.db2.gz SXUXRTPINYPJPA-SFHVURJKSA-N 2 2 346.450 2.120 20 30 EEEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001401264256 1397100252 /nfs/dbraw/zinc/10/02/52/1397100252.db2.gz APJIDTZBXLFBNB-MRXNPFEDSA-N 2 2 339.443 2.172 20 30 EEEDLP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755518988 1407576096 /nfs/dbraw/zinc/57/60/96/1407576096.db2.gz YTOSKOCSJNJMLQ-OAHLLOKOSA-N 2 2 342.418 2.018 20 30 EEEDLP C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001167425900 758349984 /nfs/dbraw/zinc/34/99/84/758349984.db2.gz XOLIWBQCLHKOQR-ZDUSSCGKSA-N 2 2 331.445 2.063 20 30 EEEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104967688 765690242 /nfs/dbraw/zinc/69/02/42/765690242.db2.gz XEWAMYXBNHKEJC-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102185 782914647 /nfs/dbraw/zinc/91/46/47/782914647.db2.gz TVQJWVFJSAMLCW-PMPSAXMXSA-N 2 2 328.460 2.186 20 30 EEEDLP 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CC[C@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1)[NH+](CC)CC ZINC001494593500 1104180857 /nfs/dbraw/zinc/18/08/57/1104180857.db2.gz SGGJBEQRFIPBLW-QGZVFWFLSA-N 2 2 348.516 2.288 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC001568489465 1124547334 /nfs/dbraw/zinc/54/73/34/1124547334.db2.gz DFFRFSQGXNSGLR-UHFFFAOYSA-N 2 2 347.422 2.410 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC001568489465 1124547340 /nfs/dbraw/zinc/54/73/40/1124547340.db2.gz DFFRFSQGXNSGLR-UHFFFAOYSA-N 2 2 347.422 2.410 20 30 EEEDLP C=CCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000095430356 218372875 /nfs/dbraw/zinc/37/28/75/218372875.db2.gz ZNQWFAJLRFAETP-UHFFFAOYSA-N 2 2 334.460 2.149 20 30 EEEDLP C=CCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000095430356 218372876 /nfs/dbraw/zinc/37/28/76/218372876.db2.gz ZNQWFAJLRFAETP-UHFFFAOYSA-N 2 2 334.460 2.149 20 30 EEEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000174964616 207078169 /nfs/dbraw/zinc/07/81/69/207078169.db2.gz DKTJNMJOHSXIFW-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000174964616 207078174 /nfs/dbraw/zinc/07/81/74/207078174.db2.gz DKTJNMJOHSXIFW-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000174964616 207078179 /nfs/dbraw/zinc/07/81/79/207078179.db2.gz DKTJNMJOHSXIFW-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000174964616 207078184 /nfs/dbraw/zinc/07/81/84/207078184.db2.gz DKTJNMJOHSXIFW-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628622 781974143 /nfs/dbraw/zinc/97/41/43/781974143.db2.gz DHPHJEJSLXQCBE-BPQIPLTHSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628622 781974151 /nfs/dbraw/zinc/97/41/51/781974151.db2.gz DHPHJEJSLXQCBE-BPQIPLTHSA-N 2 2 330.476 2.381 20 30 EEEDLP N#Cc1csc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000343955689 161183906 /nfs/dbraw/zinc/18/39/06/161183906.db2.gz NZDQBLSSHPVDPH-UHFFFAOYSA-N 3 2 341.484 2.317 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328869329 465152039 /nfs/dbraw/zinc/15/20/39/465152039.db2.gz PCKKUBNKCQYDMB-YVSFHVDLSA-N 2 2 347.507 2.490 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328869329 465152045 /nfs/dbraw/zinc/15/20/45/465152045.db2.gz PCKKUBNKCQYDMB-YVSFHVDLSA-N 2 2 347.507 2.490 20 30 EEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000075834990 462762494 /nfs/dbraw/zinc/76/24/94/462762494.db2.gz DVHNASDRWNEISH-QGZVFWFLSA-N 2 2 332.492 2.137 20 30 EEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000075834990 462762500 /nfs/dbraw/zinc/76/25/00/462762500.db2.gz DVHNASDRWNEISH-QGZVFWFLSA-N 2 2 332.492 2.137 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000135059207 463112304 /nfs/dbraw/zinc/11/23/04/463112304.db2.gz FKXSJYSHVPQYGR-SFHVURJKSA-N 2 2 331.891 2.403 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000135059207 463112307 /nfs/dbraw/zinc/11/23/07/463112307.db2.gz FKXSJYSHVPQYGR-SFHVURJKSA-N 2 2 331.891 2.403 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158725132 463249306 /nfs/dbraw/zinc/24/93/06/463249306.db2.gz ZNXAHJTYEGEUDL-BRWVUGGUSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158725132 463249313 /nfs/dbraw/zinc/24/93/13/463249313.db2.gz ZNXAHJTYEGEUDL-BRWVUGGUSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158725132 463249316 /nfs/dbraw/zinc/24/93/16/463249316.db2.gz ZNXAHJTYEGEUDL-BRWVUGGUSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158725132 463249323 /nfs/dbraw/zinc/24/93/23/463249323.db2.gz ZNXAHJTYEGEUDL-BRWVUGGUSA-N 2 2 332.492 2.134 20 30 EEEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCOc2ccccc21 ZINC000262801078 464047165 /nfs/dbraw/zinc/04/71/65/464047165.db2.gz RFQPQUULZRTBLY-MRXNPFEDSA-N 2 2 348.516 2.114 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246360599 464576342 /nfs/dbraw/zinc/57/63/42/464576342.db2.gz KTBLKFGYSHMTRS-QZTJIDSGSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246360599 464576344 /nfs/dbraw/zinc/57/63/44/464576344.db2.gz KTBLKFGYSHMTRS-QZTJIDSGSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246360599 464576347 /nfs/dbraw/zinc/57/63/47/464576347.db2.gz KTBLKFGYSHMTRS-QZTJIDSGSA-N 2 2 334.508 2.335 20 30 EEEDLP CCN(CCC#N)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246360599 464576350 /nfs/dbraw/zinc/57/63/50/464576350.db2.gz KTBLKFGYSHMTRS-QZTJIDSGSA-N 2 2 334.508 2.335 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NC2CCCCCC2)cc1 ZINC000267014011 464905031 /nfs/dbraw/zinc/90/50/31/464905031.db2.gz NPMUPMCTVAYOIT-UHFFFAOYSA-N 2 2 346.475 2.224 20 30 EEEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000358866765 465362384 /nfs/dbraw/zinc/36/23/84/465362384.db2.gz UNKCKSSKWVIODO-FGTMMUONSA-N 2 2 348.491 2.020 20 30 EEEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000358866765 465362387 /nfs/dbraw/zinc/36/23/87/465362387.db2.gz UNKCKSSKWVIODO-FGTMMUONSA-N 2 2 348.491 2.020 20 30 EEEDLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270129 465593576 /nfs/dbraw/zinc/59/35/76/465593576.db2.gz SXCWYISKLZACSK-CQSZACIVSA-N 3 2 331.464 2.172 20 30 EEEDLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270129 465593581 /nfs/dbraw/zinc/59/35/81/465593581.db2.gz SXCWYISKLZACSK-CQSZACIVSA-N 3 2 331.464 2.172 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000360838514 465613732 /nfs/dbraw/zinc/61/37/32/465613732.db2.gz CQIRCGSTLRDJNV-RTBURBONSA-N 2 2 340.471 2.255 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000360838514 465613738 /nfs/dbraw/zinc/61/37/38/465613738.db2.gz CQIRCGSTLRDJNV-RTBURBONSA-N 2 2 340.471 2.255 20 30 EEEDLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000366882278 465993631 /nfs/dbraw/zinc/99/36/31/465993631.db2.gz KZSOJAMJPVIWPK-IBGZPJMESA-N 2 2 340.471 2.471 20 30 EEEDLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000366882278 465993636 /nfs/dbraw/zinc/99/36/36/465993636.db2.gz KZSOJAMJPVIWPK-IBGZPJMESA-N 2 2 340.471 2.471 20 30 EEEDLP N#CCCCOc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000369037602 466712018 /nfs/dbraw/zinc/71/20/18/466712018.db2.gz ZASWGOXVOPHLBD-MJGOQNOKSA-N 2 2 329.444 2.322 20 30 EEEDLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424128462 466984814 /nfs/dbraw/zinc/98/48/14/466984814.db2.gz FKNSHPYRMQMPCO-INMHGKMJSA-N 2 2 344.459 2.255 20 30 EEEDLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CCC#N)CC1 ZINC000567262285 468168740 /nfs/dbraw/zinc/16/87/40/468168740.db2.gz JOLUGTXDJIMNJC-UHFFFAOYSA-N 2 2 326.366 2.460 20 30 EEEDLP CCCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000570625712 468667252 /nfs/dbraw/zinc/66/72/52/468667252.db2.gz HPYBAILXUPXSPY-UHFFFAOYSA-N 2 2 349.500 2.186 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)n3)c2)CCO1 ZINC000602522274 469348667 /nfs/dbraw/zinc/34/86/67/469348667.db2.gz TVMVPPWPIFGUAX-MRXNPFEDSA-N 2 2 336.439 2.464 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)n3)c2)CCO1 ZINC000602522274 469348671 /nfs/dbraw/zinc/34/86/71/469348671.db2.gz TVMVPPWPIFGUAX-MRXNPFEDSA-N 2 2 336.439 2.464 20 30 EEEDLP O[C@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000629554469 469577360 /nfs/dbraw/zinc/57/73/60/469577360.db2.gz IEEHHPUMAPRTFP-MRXNPFEDSA-N 2 2 326.362 2.103 20 30 EEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631150728 470080403 /nfs/dbraw/zinc/08/04/03/470080403.db2.gz BOBYOROACJBRTF-UXHICEINSA-N 2 2 346.471 2.221 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000730285066 577016394 /nfs/dbraw/zinc/01/63/94/577016394.db2.gz HIOYGBRORPKDDW-APWZRJJASA-N 2 2 341.455 2.116 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000730285066 577016396 /nfs/dbraw/zinc/01/63/96/577016396.db2.gz HIOYGBRORPKDDW-APWZRJJASA-N 2 2 341.455 2.116 20 30 EEEDLP C#CC[NH+]1CCC(c2nc(-c3cccnc3-n3cc[nH+]c3)no2)CC1 ZINC000770866857 577605085 /nfs/dbraw/zinc/60/50/85/577605085.db2.gz XDDAYPJGACVUOQ-UHFFFAOYSA-N 2 2 334.383 2.130 20 30 EEEDLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969977042 675359182 /nfs/dbraw/zinc/35/91/82/675359182.db2.gz WUSOHNZUWMMIIK-DYVFJYSZSA-N 2 2 346.500 2.041 20 30 EEEDLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969977042 675359186 /nfs/dbraw/zinc/35/91/86/675359186.db2.gz WUSOHNZUWMMIIK-DYVFJYSZSA-N 2 2 346.500 2.041 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634316 676288647 /nfs/dbraw/zinc/28/86/47/676288647.db2.gz YFRHIZPDKIIQLA-SJORKVTESA-N 2 2 336.439 2.284 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634316 676288650 /nfs/dbraw/zinc/28/86/50/676288650.db2.gz YFRHIZPDKIIQLA-SJORKVTESA-N 2 2 336.439 2.284 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711870 676370043 /nfs/dbraw/zinc/37/00/43/676370043.db2.gz FCOPSOWXPNDROY-ZBFHGGJFSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021711870 676370044 /nfs/dbraw/zinc/37/00/44/676370044.db2.gz FCOPSOWXPNDROY-ZBFHGGJFSA-N 2 2 336.867 2.028 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)s1 ZINC001024365463 679883142 /nfs/dbraw/zinc/88/31/42/679883142.db2.gz AXZCUVYVZKAQNG-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C#N)s1 ZINC001024365463 679883143 /nfs/dbraw/zinc/88/31/43/679883143.db2.gz AXZCUVYVZKAQNG-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001024365463 679883144 /nfs/dbraw/zinc/88/31/44/679883144.db2.gz AXZCUVYVZKAQNG-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001024365463 679883145 /nfs/dbraw/zinc/88/31/45/679883145.db2.gz AXZCUVYVZKAQNG-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024514818 680016325 /nfs/dbraw/zinc/01/63/25/680016325.db2.gz FYQLWZODKKBPTO-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024514818 680016331 /nfs/dbraw/zinc/01/63/31/680016331.db2.gz FYQLWZODKKBPTO-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001024515139 680017171 /nfs/dbraw/zinc/01/71/71/680017171.db2.gz MIBMTZHEMNUTLG-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001024515139 680017175 /nfs/dbraw/zinc/01/71/75/680017175.db2.gz MIBMTZHEMNUTLG-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294813 682405667 /nfs/dbraw/zinc/40/56/67/682405667.db2.gz CVBTYEVIVUFKMO-OALUTQOASA-N 2 2 342.487 2.222 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025294813 682405669 /nfs/dbraw/zinc/40/56/69/682405669.db2.gz CVBTYEVIVUFKMO-OALUTQOASA-N 2 2 342.487 2.222 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038366681 684475459 /nfs/dbraw/zinc/47/54/59/684475459.db2.gz IKLYJUCYWOOKEH-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038366681 684475461 /nfs/dbraw/zinc/47/54/61/684475461.db2.gz IKLYJUCYWOOKEH-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038366681 684475464 /nfs/dbraw/zinc/47/54/64/684475464.db2.gz IKLYJUCYWOOKEH-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986348852 688521833 /nfs/dbraw/zinc/52/18/33/688521833.db2.gz BNGHWYHUDPRFAV-WBMJQRKESA-N 2 2 343.456 2.055 20 30 EEEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986348852 688521834 /nfs/dbraw/zinc/52/18/34/688521834.db2.gz BNGHWYHUDPRFAV-WBMJQRKESA-N 2 2 343.456 2.055 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001088429325 1186866453 /nfs/dbraw/zinc/86/64/53/1186866453.db2.gz OHKDZUNMUHYVMC-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837299 1195355826 /nfs/dbraw/zinc/35/58/26/1195355826.db2.gz HACOYHAASIQDRI-QAPCUYQASA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837299 1195355833 /nfs/dbraw/zinc/35/58/33/1195355833.db2.gz HACOYHAASIQDRI-QAPCUYQASA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033837299 1195355839 /nfs/dbraw/zinc/35/58/39/1195355839.db2.gz HACOYHAASIQDRI-QAPCUYQASA-N 2 2 345.491 2.289 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034250258 1195984058 /nfs/dbraw/zinc/98/40/58/1195984058.db2.gz RJTRREAUONEMJZ-ROUUACIJSA-N 2 2 345.512 2.316 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034250258 1195984059 /nfs/dbraw/zinc/98/40/59/1195984059.db2.gz RJTRREAUONEMJZ-ROUUACIJSA-N 2 2 345.512 2.316 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034250258 1195984062 /nfs/dbraw/zinc/98/40/62/1195984062.db2.gz RJTRREAUONEMJZ-ROUUACIJSA-N 2 2 345.512 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034250258 1195984065 /nfs/dbraw/zinc/98/40/65/1195984065.db2.gz RJTRREAUONEMJZ-ROUUACIJSA-N 2 2 345.512 2.316 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001014769658 1224319235 /nfs/dbraw/zinc/31/92/35/1224319235.db2.gz LIASTJXUEORJAD-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001014769658 1224319243 /nfs/dbraw/zinc/31/92/43/1224319243.db2.gz LIASTJXUEORJAD-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001014769658 1224319251 /nfs/dbraw/zinc/31/92/51/1224319251.db2.gz LIASTJXUEORJAD-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001014769658 1224319257 /nfs/dbraw/zinc/31/92/57/1224319257.db2.gz LIASTJXUEORJAD-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474061 1196262767 /nfs/dbraw/zinc/26/27/67/1196262767.db2.gz NDNAKAYDWWBWTO-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474061 1196262769 /nfs/dbraw/zinc/26/27/69/1196262769.db2.gz NDNAKAYDWWBWTO-OAHLLOKOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034701029 1196586442 /nfs/dbraw/zinc/58/64/42/1196586442.db2.gz NDSWSKFIHPJEJI-GUDVDZBRSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034701029 1196586446 /nfs/dbraw/zinc/58/64/46/1196586446.db2.gz NDSWSKFIHPJEJI-GUDVDZBRSA-N 2 2 349.519 2.080 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001034743797 1196648837 /nfs/dbraw/zinc/64/88/37/1196648837.db2.gz ADYXETDZPFLCKK-QAQDUYKDSA-N 2 2 337.427 2.041 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823457 1200072456 /nfs/dbraw/zinc/07/24/56/1200072456.db2.gz GKKCAQDYHLDEJX-CRAIPNDOSA-N 2 2 338.455 2.354 20 30 EEEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000931281255 1206621666 /nfs/dbraw/zinc/62/16/66/1206621666.db2.gz OQMOKYMDGPICDZ-HALDLXJZSA-N 2 2 332.835 2.032 20 30 EEEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000931281255 1206621667 /nfs/dbraw/zinc/62/16/67/1206621667.db2.gz OQMOKYMDGPICDZ-HALDLXJZSA-N 2 2 332.835 2.032 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2CCCC2)C1 ZINC000950533454 1210264310 /nfs/dbraw/zinc/26/43/10/1210264310.db2.gz GJCMWZIZIRYPRI-IBGZPJMESA-N 2 2 331.504 2.197 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2CCCC2)C1 ZINC000950533454 1210264314 /nfs/dbraw/zinc/26/43/14/1210264314.db2.gz GJCMWZIZIRYPRI-IBGZPJMESA-N 2 2 331.504 2.197 20 30 EEEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000303786441 1213905254 /nfs/dbraw/zinc/90/52/54/1213905254.db2.gz RKEJTNNSGXBHKR-SFHVURJKSA-N 2 2 331.508 2.248 20 30 EEEDLP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000303909563 1213923286 /nfs/dbraw/zinc/92/32/86/1213923286.db2.gz YHTGAOBGMUIZHE-MSOLQXFVSA-N 2 2 343.519 2.244 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000961277055 1217123590 /nfs/dbraw/zinc/12/35/90/1217123590.db2.gz XFMJKXWVQZMIEF-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000961277055 1217123592 /nfs/dbraw/zinc/12/35/92/1217123592.db2.gz XFMJKXWVQZMIEF-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000963582756 1217892952 /nfs/dbraw/zinc/89/29/52/1217892952.db2.gz ULTJKLIEGDLDBR-KLAILNCOSA-N 2 2 330.476 2.381 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001007646000 1222342838 /nfs/dbraw/zinc/34/28/38/1222342838.db2.gz NLPAWGFUWMBIKP-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001007646000 1222342843 /nfs/dbraw/zinc/34/28/43/1222342843.db2.gz NLPAWGFUWMBIKP-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007646000 1222342848 /nfs/dbraw/zinc/34/28/48/1222342848.db2.gz NLPAWGFUWMBIKP-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007646000 1222342851 /nfs/dbraw/zinc/34/28/51/1222342851.db2.gz NLPAWGFUWMBIKP-WMLDXEAASA-N 2 2 346.500 2.185 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001016694685 1226788295 /nfs/dbraw/zinc/78/82/95/1226788295.db2.gz GQCUSFLSPDHAAB-DLBZAZTESA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016831471 1226910140 /nfs/dbraw/zinc/91/01/40/1226910140.db2.gz XJNSCBSTTAPPMH-INMHGKMJSA-N 2 2 328.460 2.070 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365822 1229031904 /nfs/dbraw/zinc/03/19/04/1229031904.db2.gz SOTTYPSOEAMYLH-IRXDYDNUSA-N 2 2 349.438 2.092 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001039119579 1230326786 /nfs/dbraw/zinc/32/67/86/1230326786.db2.gz ARBLYMYYKBBRAL-QGZVFWFLSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001039119579 1230326787 /nfs/dbraw/zinc/32/67/87/1230326787.db2.gz ARBLYMYYKBBRAL-QGZVFWFLSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039142323 1230359266 /nfs/dbraw/zinc/35/92/66/1230359266.db2.gz QUQQZTDDGGMTSE-KRWDZBQOSA-N 2 2 336.439 2.142 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039142323 1230359272 /nfs/dbraw/zinc/35/92/72/1230359272.db2.gz QUQQZTDDGGMTSE-KRWDZBQOSA-N 2 2 336.439 2.142 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001039174066 1230400025 /nfs/dbraw/zinc/40/00/25/1230400025.db2.gz MEWUSTUBIKNIMW-KRWDZBQOSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001039174066 1230400028 /nfs/dbraw/zinc/40/00/28/1230400028.db2.gz MEWUSTUBIKNIMW-KRWDZBQOSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249250 1230484938 /nfs/dbraw/zinc/48/49/38/1230484938.db2.gz HRCRZWAQTSJSCQ-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249250 1230484940 /nfs/dbraw/zinc/48/49/40/1230484940.db2.gz HRCRZWAQTSJSCQ-AEFFLSMTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001039396782 1230579914 /nfs/dbraw/zinc/57/99/14/1230579914.db2.gz FZUYCTSNBLMBNP-ZACQAIPSSA-N 2 2 342.487 2.464 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001039396782 1230579920 /nfs/dbraw/zinc/57/99/20/1230579920.db2.gz FZUYCTSNBLMBNP-ZACQAIPSSA-N 2 2 342.487 2.464 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001039396782 1230579923 /nfs/dbraw/zinc/57/99/23/1230579923.db2.gz FZUYCTSNBLMBNP-ZACQAIPSSA-N 2 2 342.487 2.464 20 30 EEEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001039396782 1230579926 /nfs/dbraw/zinc/57/99/26/1230579926.db2.gz FZUYCTSNBLMBNP-ZACQAIPSSA-N 2 2 342.487 2.464 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC001040745491 1231355855 /nfs/dbraw/zinc/35/58/55/1231355855.db2.gz MLINVNWUUKHIEB-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001041846846 1231729259 /nfs/dbraw/zinc/72/92/59/1231729259.db2.gz BGMORPMTOFGFPL-AZUAARDMSA-N 2 2 342.487 2.185 20 30 EEEDLP 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ZINC000069803336 201167167 /nfs/dbraw/zinc/16/71/67/201167167.db2.gz VQAZPUGUGJYTCH-LJQANCHMSA-N 2 2 343.471 2.371 20 30 EEEDLP C#CC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000270353451 201239001 /nfs/dbraw/zinc/23/90/01/201239001.db2.gz QAGGZUBPBXPAEU-LJQANCHMSA-N 2 2 342.487 2.076 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000247569448 160329386 /nfs/dbraw/zinc/32/93/86/160329386.db2.gz LHUCUYOWCOGRQK-LRDDRELGSA-N 2 2 341.415 2.486 20 30 EEEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)cc1 ZINC000272558152 268112392 /nfs/dbraw/zinc/11/23/92/268112392.db2.gz MZTWCEXNFKIERX-GOSISDBHSA-N 2 2 345.406 2.491 20 30 EEEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000575326888 320101257 /nfs/dbraw/zinc/10/12/57/320101257.db2.gz JKTRLCLZYAZRTI-UHFFFAOYSA-N 2 2 331.460 2.152 20 30 EEEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329301416 465293265 /nfs/dbraw/zinc/29/32/65/465293265.db2.gz WFDDDCDTTKTBJJ-ARFHVFGLSA-N 2 2 331.464 2.091 20 30 EEEDLP C#CCNC(=O)CC[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000293894264 464425176 /nfs/dbraw/zinc/42/51/76/464425176.db2.gz VKIZZKIPIYTQSE-UHFFFAOYSA-N 2 2 338.455 2.375 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245772141 464513790 /nfs/dbraw/zinc/51/37/90/464513790.db2.gz RZKCSMBISRDCFI-WMZOPIPTSA-N 2 2 329.444 2.132 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245772141 464513796 /nfs/dbraw/zinc/51/37/96/464513796.db2.gz RZKCSMBISRDCFI-WMZOPIPTSA-N 2 2 329.444 2.132 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000294544646 464530397 /nfs/dbraw/zinc/53/03/97/464530397.db2.gz AUNPVZGNWPFQFL-CYBMUJFWSA-N 2 2 344.427 2.289 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000294544646 464530404 /nfs/dbraw/zinc/53/04/04/464530404.db2.gz AUNPVZGNWPFQFL-CYBMUJFWSA-N 2 2 344.427 2.289 20 30 EEEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295098961 464704703 /nfs/dbraw/zinc/70/47/03/464704703.db2.gz VTLIQJFCTVVSQQ-UHFFFAOYSA-N 3 2 331.479 2.377 20 30 EEEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295098961 464704710 /nfs/dbraw/zinc/70/47/10/464704710.db2.gz VTLIQJFCTVVSQQ-UHFFFAOYSA-N 3 2 331.479 2.377 20 30 EEEDLP C#CC[N@H+](C)CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295098961 464704715 /nfs/dbraw/zinc/70/47/15/464704715.db2.gz VTLIQJFCTVVSQQ-UHFFFAOYSA-N 2 2 331.479 2.377 20 30 EEEDLP C#CC[N@@H+](C)CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295098961 464704721 /nfs/dbraw/zinc/70/47/21/464704721.db2.gz VTLIQJFCTVVSQQ-UHFFFAOYSA-N 2 2 331.479 2.377 20 30 EEEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329486564 465349800 /nfs/dbraw/zinc/34/98/00/465349800.db2.gz XNJDLWSWENLAGD-KRWDZBQOSA-N 2 2 325.416 2.066 20 30 EEEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329486564 465349808 /nfs/dbraw/zinc/34/98/08/465349808.db2.gz XNJDLWSWENLAGD-KRWDZBQOSA-N 2 2 325.416 2.066 20 30 EEEDLP C=CCOc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000378355244 467275936 /nfs/dbraw/zinc/27/59/36/467275936.db2.gz NVATXPPXQDUTMU-IBGZPJMESA-N 2 2 329.488 2.463 20 30 EEEDLP C=CCOc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000378355244 467275941 /nfs/dbraw/zinc/27/59/41/467275941.db2.gz NVATXPPXQDUTMU-IBGZPJMESA-N 2 2 329.488 2.463 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000572347902 468919769 /nfs/dbraw/zinc/91/97/69/468919769.db2.gz CFAVGQRLLVUCIC-AWEZNQCLSA-N 2 2 326.444 2.492 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000610995362 469133643 /nfs/dbraw/zinc/13/36/43/469133643.db2.gz YHKHSXFIBYFVQT-YTQUADARSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000610995362 469133650 /nfs/dbraw/zinc/13/36/50/469133650.db2.gz YHKHSXFIBYFVQT-YTQUADARSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000610995362 469133654 /nfs/dbraw/zinc/13/36/54/469133654.db2.gz YHKHSXFIBYFVQT-YTQUADARSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000610995362 469133659 /nfs/dbraw/zinc/13/36/59/469133659.db2.gz YHKHSXFIBYFVQT-YTQUADARSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000609258415 469907258 /nfs/dbraw/zinc/90/72/58/469907258.db2.gz ULNFOVNCDVNHJK-MSOLQXFVSA-N 2 2 335.411 2.197 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000609258415 469907261 /nfs/dbraw/zinc/90/72/61/469907261.db2.gz ULNFOVNCDVNHJK-MSOLQXFVSA-N 2 2 335.411 2.197 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000609258416 469907943 /nfs/dbraw/zinc/90/79/43/469907943.db2.gz ULNFOVNCDVNHJK-QZTJIDSGSA-N 2 2 335.411 2.197 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000609258416 469907947 /nfs/dbraw/zinc/90/79/47/469907947.db2.gz ULNFOVNCDVNHJK-QZTJIDSGSA-N 2 2 335.411 2.197 20 30 EEEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591736366 485594972 /nfs/dbraw/zinc/59/49/72/485594972.db2.gz IWFPQHBSRNZWAR-VQTJNVASSA-N 2 2 344.503 2.010 20 30 EEEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591736366 485594979 /nfs/dbraw/zinc/59/49/79/485594979.db2.gz IWFPQHBSRNZWAR-VQTJNVASSA-N 2 2 344.503 2.010 20 30 EEEDLP Cn1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cc1C#N ZINC000191298416 534734976 /nfs/dbraw/zinc/73/49/76/534734976.db2.gz NZPVGDWYIYBRDN-UHFFFAOYSA-N 2 2 330.476 2.269 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000173791860 528186482 /nfs/dbraw/zinc/18/64/82/528186482.db2.gz KKGLLXZHYAMPSW-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000173791860 528186491 /nfs/dbraw/zinc/18/64/91/528186491.db2.gz KKGLLXZHYAMPSW-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP CCc1cccc(NC(=[NH2+])NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000104178604 529176573 /nfs/dbraw/zinc/17/65/73/529176573.db2.gz DIJFGNNONGQDRB-GOSISDBHSA-N 2 2 348.516 2.184 20 30 EEEDLP CCN(CCO)c1ccc(C=[NH+]NC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(C)c1 ZINC000753937697 577796820 /nfs/dbraw/zinc/79/68/20/577796820.db2.gz ZCNJEJUDHXUHGX-HDICACEKSA-N 2 2 343.475 2.008 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238311 676245236 /nfs/dbraw/zinc/24/52/36/676245236.db2.gz NBWWOCOQJDFUML-HOCLYGCPSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238311 676245237 /nfs/dbraw/zinc/24/52/37/676245237.db2.gz NBWWOCOQJDFUML-HOCLYGCPSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737513 676395395 /nfs/dbraw/zinc/39/53/95/676395395.db2.gz VADIEHYUWSJRJP-JKSUJKDBSA-N 2 2 336.867 2.257 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737513 676395397 /nfs/dbraw/zinc/39/53/97/676395397.db2.gz VADIEHYUWSJRJP-JKSUJKDBSA-N 2 2 336.867 2.257 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)s1 ZINC001025124390 682084195 /nfs/dbraw/zinc/08/41/95/682084195.db2.gz GCXPXOXBRNSAAN-CYBMUJFWSA-N 2 2 343.456 2.056 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001026518299 684713509 /nfs/dbraw/zinc/71/35/09/684713509.db2.gz OCIJVXBQASJDSC-FHERZECASA-N 2 2 330.476 2.416 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001026518299 684713510 /nfs/dbraw/zinc/71/35/10/684713510.db2.gz OCIJVXBQASJDSC-FHERZECASA-N 2 2 330.476 2.416 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990815247 693909624 /nfs/dbraw/zinc/90/96/24/693909624.db2.gz JZHGFYHMWYFMQO-XLIONFOSSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990815247 693909627 /nfs/dbraw/zinc/90/96/27/693909627.db2.gz JZHGFYHMWYFMQO-XLIONFOSSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974651286 685174415 /nfs/dbraw/zinc/17/44/15/685174415.db2.gz CDRLFRVGAHKNMF-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974651286 685174418 /nfs/dbraw/zinc/17/44/18/685174418.db2.gz CDRLFRVGAHKNMF-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974651286 685174420 /nfs/dbraw/zinc/17/44/20/685174420.db2.gz CDRLFRVGAHKNMF-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974651286 685174424 /nfs/dbraw/zinc/17/44/24/685174424.db2.gz CDRLFRVGAHKNMF-LSDHHAIUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000985438718 686748709 /nfs/dbraw/zinc/74/87/09/686748709.db2.gz VYRVOPNOALWTON-SJLPKXTDSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000985438718 686748714 /nfs/dbraw/zinc/74/87/14/686748714.db2.gz VYRVOPNOALWTON-SJLPKXTDSA-N 2 2 342.487 2.263 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985516422 687084949 /nfs/dbraw/zinc/08/49/49/687084949.db2.gz OPWULIGRQXHAEG-HNNXBMFYSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985516422 687084952 /nfs/dbraw/zinc/08/49/52/687084952.db2.gz OPWULIGRQXHAEG-HNNXBMFYSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985516422 687084953 /nfs/dbraw/zinc/08/49/53/687084953.db2.gz OPWULIGRQXHAEG-HNNXBMFYSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985516422 687084955 /nfs/dbraw/zinc/08/49/55/687084955.db2.gz OPWULIGRQXHAEG-HNNXBMFYSA-N 2 2 330.476 2.322 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1ccccc1Cl ZINC000262817324 688538567 /nfs/dbraw/zinc/53/85/67/688538567.db2.gz WDGXVTWUWDZHHU-UHFFFAOYSA-N 2 2 348.882 2.347 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989638707 692113181 /nfs/dbraw/zinc/11/31/81/692113181.db2.gz MSOPEADDWIEJDW-KBPBESRZSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000989827020 692369930 /nfs/dbraw/zinc/36/99/30/692369930.db2.gz XDBNMVZGLSDCAB-GDBMZVCRSA-N 2 2 333.501 2.261 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000989827020 692369934 /nfs/dbraw/zinc/36/99/34/692369934.db2.gz XDBNMVZGLSDCAB-GDBMZVCRSA-N 2 2 333.501 2.261 20 30 EEEDLP N#CC1(C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)CCC1 ZINC001271114886 1185904183 /nfs/dbraw/zinc/90/41/83/1185904183.db2.gz RQDJYUAPBRYZMR-MOPGFXCFSA-N 2 2 341.459 2.128 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001088582324 1187524914 /nfs/dbraw/zinc/52/49/14/1187524914.db2.gz JCBLQNWGRISJAK-WBVHZDCISA-N 2 2 330.476 2.307 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001088582324 1187524917 /nfs/dbraw/zinc/52/49/17/1187524917.db2.gz JCBLQNWGRISJAK-WBVHZDCISA-N 2 2 330.476 2.307 20 30 EEEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584302 1188193154 /nfs/dbraw/zinc/19/31/54/1188193154.db2.gz GKXYYVJGCVGCDI-KRWDZBQOSA-N 2 2 328.460 2.047 20 30 EEEDLP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001168297218 1188258700 /nfs/dbraw/zinc/25/87/00/1188258700.db2.gz JYNQYZOUDBFSGM-UHFFFAOYSA-N 2 2 345.512 2.006 20 30 EEEDLP CC#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001168297218 1188258706 /nfs/dbraw/zinc/25/87/06/1188258706.db2.gz JYNQYZOUDBFSGM-UHFFFAOYSA-N 2 2 345.512 2.006 20 30 EEEDLP COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168314335 1188287053 /nfs/dbraw/zinc/28/70/53/1188287053.db2.gz FBBZEPZEBWFSMO-ABHNRTSZSA-N 2 2 329.444 2.105 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085829 1188703140 /nfs/dbraw/zinc/70/31/40/1188703140.db2.gz DFIFHQXIEWPZGM-BBWFWOEESA-N 2 2 337.895 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085829 1188703144 /nfs/dbraw/zinc/70/31/44/1188703144.db2.gz DFIFHQXIEWPZGM-BBWFWOEESA-N 2 2 337.895 2.146 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168367564 1189197759 /nfs/dbraw/zinc/19/77/59/1189197759.db2.gz ZBEHZBCZUBRAFH-QGZVFWFLSA-N 2 2 330.476 2.137 20 30 EEEDLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)cc1 ZINC001485897760 1193643803 /nfs/dbraw/zinc/64/38/03/1193643803.db2.gz AWKSXIIMXJPZQC-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC#Cc2ccccc2)C1 ZINC001034129261 1195825118 /nfs/dbraw/zinc/82/51/18/1195825118.db2.gz AGYBNIDNAAVRRO-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC#Cc2ccccc2)C1 ZINC001034129261 1195825120 /nfs/dbraw/zinc/82/51/20/1195825120.db2.gz AGYBNIDNAAVRRO-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034129261 1195825126 /nfs/dbraw/zinc/82/51/26/1195825126.db2.gz AGYBNIDNAAVRRO-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034129261 1195825135 /nfs/dbraw/zinc/82/51/35/1195825135.db2.gz AGYBNIDNAAVRRO-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034466726 1196246253 /nfs/dbraw/zinc/24/62/53/1196246253.db2.gz DLGULGCMOYWFFC-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034466726 1196246255 /nfs/dbraw/zinc/24/62/55/1196246255.db2.gz DLGULGCMOYWFFC-SFHVURJKSA-N 2 2 336.439 2.480 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132141155 1199374798 /nfs/dbraw/zinc/37/47/98/1199374798.db2.gz OYFDRYKQQSMTJY-GJZGRUSLSA-N 2 2 334.464 2.285 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132141155 1199374802 /nfs/dbraw/zinc/37/48/02/1199374802.db2.gz OYFDRYKQQSMTJY-GJZGRUSLSA-N 2 2 334.464 2.285 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227274 1199408913 /nfs/dbraw/zinc/40/89/13/1199408913.db2.gz DPEFEJMKXQKKCL-GJZGRUSLSA-N 2 2 339.443 2.287 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133288788 1200699492 /nfs/dbraw/zinc/69/94/92/1200699492.db2.gz KVAPKFBVTDBPRR-DLBZAZTESA-N 2 2 332.492 2.393 20 30 EEEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccccc3CC#N)c2)CC1 ZINC000870667542 1200803348 /nfs/dbraw/zinc/80/33/48/1200803348.db2.gz ZVXDWDUQOWKKKH-UHFFFAOYSA-N 2 2 349.438 2.081 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)c1 ZINC001275268391 1205294845 /nfs/dbraw/zinc/29/48/45/1205294845.db2.gz GIJDZJMRCAXLIO-FQEVSTJZSA-N 2 2 349.438 2.022 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)c1 ZINC001275268391 1205294847 /nfs/dbraw/zinc/29/48/47/1205294847.db2.gz GIJDZJMRCAXLIO-FQEVSTJZSA-N 2 2 349.438 2.022 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891356 1208763631 /nfs/dbraw/zinc/76/36/31/1208763631.db2.gz PKSUTOYJQUZLFP-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947891356 1208763634 /nfs/dbraw/zinc/76/36/34/1208763634.db2.gz PKSUTOYJQUZLFP-HOTGVXAUSA-N 2 2 339.443 2.426 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948061528 1208848975 /nfs/dbraw/zinc/84/89/75/1208848975.db2.gz VQNFOXGOTBKPAB-NVXWUHKLSA-N 2 2 345.512 2.099 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948061528 1208848977 /nfs/dbraw/zinc/84/89/77/1208848977.db2.gz VQNFOXGOTBKPAB-NVXWUHKLSA-N 2 2 345.512 2.099 20 30 EEEDLP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948061528 1208848980 /nfs/dbraw/zinc/84/89/80/1208848980.db2.gz VQNFOXGOTBKPAB-NVXWUHKLSA-N 2 2 345.512 2.099 20 30 EEEDLP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948061528 1208848983 /nfs/dbraw/zinc/84/89/83/1208848983.db2.gz VQNFOXGOTBKPAB-NVXWUHKLSA-N 2 2 345.512 2.099 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948061418 1208849088 /nfs/dbraw/zinc/84/90/88/1208849088.db2.gz TVOJXHJCXUYAGP-ZBFHGGJFSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948061418 1208849092 /nfs/dbraw/zinc/84/90/92/1208849092.db2.gz TVOJXHJCXUYAGP-ZBFHGGJFSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948061418 1208849094 /nfs/dbraw/zinc/84/90/94/1208849094.db2.gz TVOJXHJCXUYAGP-ZBFHGGJFSA-N 2 2 333.501 2.261 20 30 EEEDLP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948061418 1208849098 /nfs/dbraw/zinc/84/90/98/1208849098.db2.gz TVOJXHJCXUYAGP-ZBFHGGJFSA-N 2 2 333.501 2.261 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@H+]1C(C)C ZINC000948928216 1209457629 /nfs/dbraw/zinc/45/76/29/1209457629.db2.gz HDPJPBKPHOEKKL-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1C(C)C ZINC000948928216 1209457632 /nfs/dbraw/zinc/45/76/32/1209457632.db2.gz HDPJPBKPHOEKKL-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[NH+]1C(C)C ZINC000948928216 1209457634 /nfs/dbraw/zinc/45/76/34/1209457634.db2.gz HDPJPBKPHOEKKL-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[NH+]1C(C)C ZINC000948928216 1209457636 /nfs/dbraw/zinc/45/76/36/1209457636.db2.gz HDPJPBKPHOEKKL-PMACEKPBSA-N 2 2 339.483 2.208 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961266711 1217118046 /nfs/dbraw/zinc/11/80/46/1217118046.db2.gz BJJCKYDFBADMCU-SJORKVTESA-N 2 2 330.476 2.397 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961266711 1217118048 /nfs/dbraw/zinc/11/80/48/1217118048.db2.gz BJJCKYDFBADMCU-SJORKVTESA-N 2 2 330.476 2.397 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001037862607 1219611471 /nfs/dbraw/zinc/61/14/71/1219611471.db2.gz MDXYQJQENOAFBF-RDJZCZTQSA-N 2 2 331.460 2.426 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967499824 1220569439 /nfs/dbraw/zinc/56/94/39/1220569439.db2.gz REYUUNPOKORPQL-APWZRJJASA-N 2 2 336.439 2.336 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228851 1230460885 /nfs/dbraw/zinc/46/08/85/1230460885.db2.gz KSVPMBXSQHADSH-ROUUACIJSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228851 1230460888 /nfs/dbraw/zinc/46/08/88/1230460888.db2.gz KSVPMBXSQHADSH-ROUUACIJSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001041517834 1231577007 /nfs/dbraw/zinc/57/70/07/1231577007.db2.gz KONZSZZMDQJMQV-HXUWFJFHSA-N 2 2 334.423 2.044 20 30 EEEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001041517834 1231577009 /nfs/dbraw/zinc/57/70/09/1231577009.db2.gz KONZSZZMDQJMQV-HXUWFJFHSA-N 2 2 334.423 2.044 20 30 EEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001045487194 1233774573 /nfs/dbraw/zinc/77/45/73/1233774573.db2.gz WNYUVEKSNKGYFO-MRXNPFEDSA-N 2 2 330.476 2.382 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001045948669 1234212540 /nfs/dbraw/zinc/21/25/40/1234212540.db2.gz PBKPDSWIAGGHGB-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001045948669 1234212541 /nfs/dbraw/zinc/21/25/41/1234212541.db2.gz PBKPDSWIAGGHGB-PXNSSMCTSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001045948686 1234212763 /nfs/dbraw/zinc/21/27/63/1234212763.db2.gz PMZGOWRHLDGFJI-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001045948686 1234212766 /nfs/dbraw/zinc/21/27/66/1234212766.db2.gz PMZGOWRHLDGFJI-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973511 1234258465 /nfs/dbraw/zinc/25/84/65/1234258465.db2.gz SCQHXTDAPNCKNK-QFBILLFUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973511 1234258466 /nfs/dbraw/zinc/25/84/66/1234258466.db2.gz SCQHXTDAPNCKNK-QFBILLFUSA-N 2 2 330.476 2.479 20 30 EEEDLP 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C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001121319438 1309981095 /nfs/dbraw/zinc/98/10/95/1309981095.db2.gz ZTYLXIXEIJAOJU-DKWICNMVSA-N 2 2 328.460 2.039 20 30 EEEDLP COc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc(C[NH+](C)C)c1O ZINC001139254744 1314722081 /nfs/dbraw/zinc/72/20/81/1314722081.db2.gz CTAFJULNRUQEBS-MRXNPFEDSA-N 2 2 348.468 2.237 20 30 EEEDLP COc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc(C[NH+](C)C)c1O ZINC001139254744 1314722086 /nfs/dbraw/zinc/72/20/86/1314722086.db2.gz CTAFJULNRUQEBS-MRXNPFEDSA-N 2 2 348.468 2.237 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)c1 ZINC001250992338 1317394496 /nfs/dbraw/zinc/39/44/96/1317394496.db2.gz FLXCGNROSPOTTA-OAHLLOKOSA-N 2 2 327.350 2.035 20 30 EEEDLP C=C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001253605594 1317891492 /nfs/dbraw/zinc/89/14/92/1317891492.db2.gz UPIHJECPHOZFIZ-NHCUHLMSSA-N 2 2 340.467 2.186 20 30 EEEDLP O=C(NCCC[NH2+]CC#Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001160984068 1320343006 /nfs/dbraw/zinc/34/30/06/1320343006.db2.gz FCWFYOHDFYLRSO-UHFFFAOYSA-N 2 2 332.407 2.324 20 30 EEEDLP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001161679276 1320585101 /nfs/dbraw/zinc/58/51/01/1320585101.db2.gz XMIMMRHHFPUYDH-UHFFFAOYSA-N 2 2 349.438 2.043 20 30 EEEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001161679276 1320585102 /nfs/dbraw/zinc/58/51/02/1320585102.db2.gz XMIMMRHHFPUYDH-UHFFFAOYSA-N 2 2 349.438 2.043 20 30 EEEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001162982987 1321004570 /nfs/dbraw/zinc/00/45/70/1321004570.db2.gz UKPBYPLDKNKECD-UHFFFAOYSA-N 2 2 340.471 2.200 20 30 EEEDLP C[NH+]1CCN(c2cccc(N3CCc4cc(C#N)ccc4C3)[nH+]2)CC1 ZINC001164481742 1321392248 /nfs/dbraw/zinc/39/22/48/1321392248.db2.gz KWDZVMYGFJUQGX-UHFFFAOYSA-N 2 2 333.439 2.268 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205458867 1323145303 /nfs/dbraw/zinc/14/53/03/1323145303.db2.gz ZKIBERGLKAXORH-ZWKOTPCHSA-N 2 2 342.418 2.183 20 30 EEEDLP C#CCC[NH2+]CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001206762732 1323584791 /nfs/dbraw/zinc/58/47/91/1323584791.db2.gz UAOGAYROOFPTLV-UHFFFAOYSA-N 2 2 336.439 2.337 20 30 EEEDLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401142284 1396976849 /nfs/dbraw/zinc/97/68/49/1396976849.db2.gz NYSFMPQFWFTQLV-QWHCGFSZSA-N 2 2 345.472 2.064 20 30 EEEDLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401142284 1396976852 /nfs/dbraw/zinc/97/68/52/1396976852.db2.gz NYSFMPQFWFTQLV-QWHCGFSZSA-N 2 2 345.472 2.064 20 30 EEEDLP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001754920721 1406997451 /nfs/dbraw/zinc/99/74/51/1406997451.db2.gz HIMYUJDRPUGADC-GJZGRUSLSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001423606762 1400682907 /nfs/dbraw/zinc/68/29/07/1400682907.db2.gz IUDKYPPQUOZFNO-CYBMUJFWSA-N 2 2 326.872 2.226 20 30 EEEDLP CC#CC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001574961991 1403529685 /nfs/dbraw/zinc/52/96/85/1403529685.db2.gz CHWDXCQCPSTROI-KRWDZBQOSA-N 2 2 333.863 2.115 20 30 EEEDLP CC#CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001574961991 1403529687 /nfs/dbraw/zinc/52/96/87/1403529687.db2.gz CHWDXCQCPSTROI-KRWDZBQOSA-N 2 2 333.863 2.115 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)Cc3cccc(C#N)c3)ccn12 ZINC001731770342 1405900882 /nfs/dbraw/zinc/90/08/82/1405900882.db2.gz SIUGYLHOCKAKGD-UHFFFAOYSA-N 2 2 347.422 2.376 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)Cc3cccc(C#N)c3)ccn12 ZINC001731770342 1405900896 /nfs/dbraw/zinc/90/08/96/1405900896.db2.gz SIUGYLHOCKAKGD-UHFFFAOYSA-N 2 2 347.422 2.376 20 30 EEEDLP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001755890106 1407955294 /nfs/dbraw/zinc/95/52/94/1407955294.db2.gz YISCATXADPMMOW-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001755890106 1407955300 /nfs/dbraw/zinc/95/53/00/1407955300.db2.gz YISCATXADPMMOW-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457670 760818142 /nfs/dbraw/zinc/81/81/42/760818142.db2.gz ZKTDXPWRUFUMTI-GOSISDBHSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457670 760818151 /nfs/dbraw/zinc/81/81/51/760818151.db2.gz ZKTDXPWRUFUMTI-GOSISDBHSA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424466 769014312 /nfs/dbraw/zinc/01/43/12/769014312.db2.gz VIWVRTBNIGTSAF-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424466 769014324 /nfs/dbraw/zinc/01/43/24/769014324.db2.gz VIWVRTBNIGTSAF-SJORKVTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027939959 774712167 /nfs/dbraw/zinc/71/21/67/774712167.db2.gz BVKOGTGUAKROBV-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027939959 774712170 /nfs/dbraw/zinc/71/21/70/774712170.db2.gz BVKOGTGUAKROBV-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027939959 774712173 /nfs/dbraw/zinc/71/21/73/774712173.db2.gz BVKOGTGUAKROBV-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027939959 774712176 /nfs/dbraw/zinc/71/21/76/774712176.db2.gz BVKOGTGUAKROBV-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980365 775622533 /nfs/dbraw/zinc/62/25/33/775622533.db2.gz RASOIDPUIGLKPD-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980365 775622542 /nfs/dbraw/zinc/62/25/42/775622542.db2.gz RASOIDPUIGLKPD-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027980365 775622549 /nfs/dbraw/zinc/62/25/49/775622549.db2.gz RASOIDPUIGLKPD-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027980365 775622553 /nfs/dbraw/zinc/62/25/53/775622553.db2.gz RASOIDPUIGLKPD-CVEARBPZSA-N 2 2 330.476 2.370 20 30 EEEDLP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981340391 777182128 /nfs/dbraw/zinc/18/21/28/777182128.db2.gz CJOIBMINISLJPQ-UHFFFAOYSA-N 2 2 346.500 2.138 20 30 EEEDLP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981340391 777182139 /nfs/dbraw/zinc/18/21/39/777182139.db2.gz CJOIBMINISLJPQ-UHFFFAOYSA-N 2 2 346.500 2.138 20 30 EEEDLP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981340391 777182148 /nfs/dbraw/zinc/18/21/48/777182148.db2.gz CJOIBMINISLJPQ-UHFFFAOYSA-N 2 2 346.500 2.138 20 30 EEEDLP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981340391 777182153 /nfs/dbraw/zinc/18/21/53/777182153.db2.gz CJOIBMINISLJPQ-UHFFFAOYSA-N 2 2 346.500 2.138 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000981363007 777255633 /nfs/dbraw/zinc/25/56/33/777255633.db2.gz AEMBUSJUHZSGLS-ROUUACIJSA-N 2 2 349.519 2.225 20 30 EEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981453389 777436959 /nfs/dbraw/zinc/43/69/59/777436959.db2.gz HMRTYKSGDQGZOI-GJZGRUSLSA-N 2 2 325.416 2.084 20 30 EEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981838759 778320991 /nfs/dbraw/zinc/32/09/91/778320991.db2.gz FDAJOWHKJRMRFV-UHFFFAOYSA-N 2 2 330.476 2.427 20 30 EEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981838759 778320995 /nfs/dbraw/zinc/32/09/95/778320995.db2.gz FDAJOWHKJRMRFV-UHFFFAOYSA-N 2 2 330.476 2.427 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942175953 781897740 /nfs/dbraw/zinc/89/77/40/781897740.db2.gz MKDZRHNKEZQITE-RDJZCZTQSA-N 2 2 331.460 2.426 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942175953 781897750 /nfs/dbraw/zinc/89/77/50/781897750.db2.gz MKDZRHNKEZQITE-RDJZCZTQSA-N 2 2 331.460 2.426 20 30 EEEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997747188 790967753 /nfs/dbraw/zinc/96/77/53/790967753.db2.gz FYPBHZNILOAETI-GOEBONIOSA-N 2 2 328.460 2.070 20 30 EEEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680544 784224962 /nfs/dbraw/zinc/22/49/62/784224962.db2.gz XDTWBOLZNZWCCA-HZPDHXFCSA-N 2 2 326.444 2.081 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623534 784815421 /nfs/dbraw/zinc/81/54/21/784815421.db2.gz BRLGCHFDMRSPIX-KRWDZBQOSA-N 2 2 349.475 2.128 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001035623534 784815430 /nfs/dbraw/zinc/81/54/30/784815430.db2.gz BRLGCHFDMRSPIX-KRWDZBQOSA-N 2 2 349.475 2.128 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001035735424 785043933 /nfs/dbraw/zinc/04/39/33/785043933.db2.gz WRCBQAMERCKTSX-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001035758638 785068676 /nfs/dbraw/zinc/06/86/76/785068676.db2.gz HYKFXKBSYNVORR-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170893577 785228893 /nfs/dbraw/zinc/22/88/93/785228893.db2.gz FDNFIVBETNXCHF-WMLDXEAASA-N 2 2 333.480 2.241 20 30 EEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001170893577 785228905 /nfs/dbraw/zinc/22/89/05/785228905.db2.gz FDNFIVBETNXCHF-WMLDXEAASA-N 2 2 333.480 2.241 20 30 EEEDLP C=C[C@@H]1C[C@]1(Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCC ZINC001170928413 785564046 /nfs/dbraw/zinc/56/40/46/785564046.db2.gz PQGWDCOHOFUUAN-GPMSIDNRSA-N 2 2 329.444 2.139 20 30 EEEDLP C=C[C@@H]1C[C@]1(Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OCC ZINC001170928413 785564048 /nfs/dbraw/zinc/56/40/48/785564048.db2.gz PQGWDCOHOFUUAN-GPMSIDNRSA-N 2 2 329.444 2.139 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)c1 ZINC001109579368 805709311 /nfs/dbraw/zinc/70/93/11/805709311.db2.gz RGCJOINVMIHRME-QYZOEREBSA-N 2 2 349.438 2.067 20 30 EEEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)c1 ZINC001109579368 805709315 /nfs/dbraw/zinc/70/93/15/805709315.db2.gz RGCJOINVMIHRME-QYZOEREBSA-N 2 2 349.438 2.067 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772796 787249793 /nfs/dbraw/zinc/24/97/93/787249793.db2.gz LKKCLHAYYDJQNQ-QGZVFWFLSA-N 2 2 335.496 2.466 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772796 787249797 /nfs/dbraw/zinc/24/97/97/787249797.db2.gz LKKCLHAYYDJQNQ-QGZVFWFLSA-N 2 2 335.496 2.466 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997186546 789380626 /nfs/dbraw/zinc/38/06/26/789380626.db2.gz LKZNXCZQDHHMEQ-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997187512 789385757 /nfs/dbraw/zinc/38/57/57/789385757.db2.gz PUNMZRCWPOWGOD-NVXWUHKLSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001032485668 790089255 /nfs/dbraw/zinc/08/92/55/790089255.db2.gz YVTJBEWSLNXHLX-PMPSAXMXSA-N 2 2 328.460 2.074 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001032485668 790089260 /nfs/dbraw/zinc/08/92/60/790089260.db2.gz YVTJBEWSLNXHLX-PMPSAXMXSA-N 2 2 328.460 2.074 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001032485668 790089268 /nfs/dbraw/zinc/08/92/68/790089268.db2.gz YVTJBEWSLNXHLX-PMPSAXMXSA-N 2 2 328.460 2.074 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001032485668 790089275 /nfs/dbraw/zinc/08/92/75/790089275.db2.gz YVTJBEWSLNXHLX-PMPSAXMXSA-N 2 2 328.460 2.074 20 30 EEEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148605775 792558119 /nfs/dbraw/zinc/55/81/19/792558119.db2.gz UVIVVOJMJBVKPB-UHFFFAOYSA-N 2 2 332.492 2.467 20 30 EEEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148605775 792558123 /nfs/dbraw/zinc/55/81/23/792558123.db2.gz UVIVVOJMJBVKPB-UHFFFAOYSA-N 2 2 332.492 2.467 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001036719555 794619580 /nfs/dbraw/zinc/61/95/80/794619580.db2.gz GSKKVQXLYNCFJU-AEFFLSMTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001036719555 794619586 /nfs/dbraw/zinc/61/95/86/794619586.db2.gz GSKKVQXLYNCFJU-AEFFLSMTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC001036719557 794619801 /nfs/dbraw/zinc/61/98/01/794619801.db2.gz GSKKVQXLYNCFJU-SJLPKXTDSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC001036719557 794619807 /nfs/dbraw/zinc/61/98/07/794619807.db2.gz GSKKVQXLYNCFJU-SJLPKXTDSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000992672967 795074043 /nfs/dbraw/zinc/07/40/43/795074043.db2.gz VVFFMTRMKYBKQT-RRFJBIMHSA-N 2 2 336.867 2.312 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC000992696389 795115918 /nfs/dbraw/zinc/11/59/18/795115918.db2.gz XKCFWNBKXYRRQX-FGTMMUONSA-N 2 2 336.439 2.106 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094452745 796261838 /nfs/dbraw/zinc/26/18/38/796261838.db2.gz BRRQPBFDVWFVKN-MBOZVWFJSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094452745 796261844 /nfs/dbraw/zinc/26/18/44/796261844.db2.gz BRRQPBFDVWFVKN-MBOZVWFJSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975922 798588620 /nfs/dbraw/zinc/58/86/20/798588620.db2.gz ZBVWFBZHVHDVGZ-KURKYZTESA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975922 798588623 /nfs/dbraw/zinc/58/86/23/798588623.db2.gz ZBVWFBZHVHDVGZ-KURKYZTESA-N 2 2 342.487 2.335 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001177930055 799191984 /nfs/dbraw/zinc/19/19/84/799191984.db2.gz YBVNMVDGQVUVTB-MRXNPFEDSA-N 2 2 337.427 2.119 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003515337 799766006 /nfs/dbraw/zinc/76/60/06/799766006.db2.gz DWKNGLCETWXYJN-AWEZNQCLSA-N 2 2 336.867 2.087 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001085307823 800343172 /nfs/dbraw/zinc/34/31/72/800343172.db2.gz QKOVTRQLFCJYGK-QRVBRYPASA-N 2 2 349.519 2.223 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001085307823 800343181 /nfs/dbraw/zinc/34/31/81/800343181.db2.gz QKOVTRQLFCJYGK-QRVBRYPASA-N 2 2 349.519 2.223 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCCC1 ZINC001004439077 802047090 /nfs/dbraw/zinc/04/70/90/802047090.db2.gz RGZRJTHPCZZMCD-GOSISDBHSA-N 2 2 346.519 2.477 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCCC1 ZINC001004439077 802047095 /nfs/dbraw/zinc/04/70/95/802047095.db2.gz RGZRJTHPCZZMCD-GOSISDBHSA-N 2 2 346.519 2.477 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631518 802424212 /nfs/dbraw/zinc/42/42/12/802424212.db2.gz LTUUNDHVRPFYET-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631518 802424216 /nfs/dbraw/zinc/42/42/16/802424216.db2.gz LTUUNDHVRPFYET-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631518 802424221 /nfs/dbraw/zinc/42/42/21/802424221.db2.gz LTUUNDHVRPFYET-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631518 802424225 /nfs/dbraw/zinc/42/42/25/802424225.db2.gz LTUUNDHVRPFYET-YYIAUSFCSA-N 2 2 328.460 2.260 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595074 802448027 /nfs/dbraw/zinc/44/80/27/802448027.db2.gz FFTAMUAPMXQCPZ-KRWDZBQOSA-N 2 2 342.487 2.414 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595074 802448030 /nfs/dbraw/zinc/44/80/30/802448030.db2.gz FFTAMUAPMXQCPZ-KRWDZBQOSA-N 2 2 342.487 2.414 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001033153854 802607977 /nfs/dbraw/zinc/60/79/77/802607977.db2.gz LNDHKGJQVJYJJB-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001033153854 802607980 /nfs/dbraw/zinc/60/79/80/802607980.db2.gz LNDHKGJQVJYJJB-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033153854 802607984 /nfs/dbraw/zinc/60/79/84/802607984.db2.gz LNDHKGJQVJYJJB-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033153854 802607988 /nfs/dbraw/zinc/60/79/88/802607988.db2.gz LNDHKGJQVJYJJB-UXHICEINSA-N 2 2 339.483 2.125 20 30 EEEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)cc1 ZINC000192242052 160168860 /nfs/dbraw/zinc/16/88/60/160168860.db2.gz MQESRCFVUBTYIP-SFHVURJKSA-N 2 2 345.406 2.097 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248032296 160335571 /nfs/dbraw/zinc/33/55/71/160335571.db2.gz QSBSHAXOUFNULJ-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248032296 160335573 /nfs/dbraw/zinc/33/55/73/160335573.db2.gz QSBSHAXOUFNULJ-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248032296 160335575 /nfs/dbraw/zinc/33/55/75/160335575.db2.gz QSBSHAXOUFNULJ-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248032296 160335578 /nfs/dbraw/zinc/33/55/78/160335578.db2.gz QSBSHAXOUFNULJ-HFTRVMKXSA-N 2 2 326.444 2.301 20 30 EEEDLP N#Cc1ccsc1N1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000564787508 319109959 /nfs/dbraw/zinc/10/99/59/319109959.db2.gz CFTOUGIOGQXDEC-INIZCTEOSA-N 2 2 344.484 2.332 20 30 EEEDLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(C#N)n3)[nH+]c2)CC1 ZINC000602568695 449679736 /nfs/dbraw/zinc/67/97/36/449679736.db2.gz KQKWUXHASZKCOO-UHFFFAOYSA-N 2 2 336.443 2.491 20 30 EEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000328607641 465067877 /nfs/dbraw/zinc/06/78/77/465067877.db2.gz LIHSWBHGJLPNOY-HOTGVXAUSA-N 2 2 331.464 2.092 20 30 EEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000297636156 465264652 /nfs/dbraw/zinc/26/46/52/465264652.db2.gz YRRWAHYIZWMMFG-INIZCTEOSA-N 2 2 331.464 2.095 20 30 EEEDLP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000297636156 465264657 /nfs/dbraw/zinc/26/46/57/465264657.db2.gz YRRWAHYIZWMMFG-INIZCTEOSA-N 2 2 331.464 2.095 20 30 EEEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329212657 465269039 /nfs/dbraw/zinc/26/90/39/465269039.db2.gz IBVUOODEGWZEFS-GDBMZVCRSA-N 2 2 335.496 2.490 20 30 EEEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329212657 465269045 /nfs/dbraw/zinc/26/90/45/465269045.db2.gz IBVUOODEGWZEFS-GDBMZVCRSA-N 2 2 335.496 2.490 20 30 EEEDLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(OCCCC#N)c2)CC1 ZINC000155495660 462899751 /nfs/dbraw/zinc/89/97/51/462899751.db2.gz LZVYOUYWVMTENC-UHFFFAOYSA-N 2 2 331.460 2.258 20 30 EEEDLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(OCCCC#N)c2)CC1 ZINC000155495660 462899756 /nfs/dbraw/zinc/89/97/56/462899756.db2.gz LZVYOUYWVMTENC-UHFFFAOYSA-N 2 2 331.460 2.258 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@@H+]1C1CC1 ZINC000161751613 463455502 /nfs/dbraw/zinc/45/55/02/463455502.db2.gz INZOCJPUQVZRJI-PBHICJAKSA-N 2 2 325.460 2.137 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C[N@H+]1C1CC1 ZINC000161751613 463455506 /nfs/dbraw/zinc/45/55/06/463455506.db2.gz INZOCJPUQVZRJI-PBHICJAKSA-N 2 2 325.460 2.137 20 30 EEEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571990 463463274 /nfs/dbraw/zinc/46/32/74/463463274.db2.gz ZDAROFSRUNXCJU-DLBZAZTESA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571990 463463277 /nfs/dbraw/zinc/46/32/77/463463277.db2.gz ZDAROFSRUNXCJU-DLBZAZTESA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571990 463463281 /nfs/dbraw/zinc/46/32/81/463463281.db2.gz ZDAROFSRUNXCJU-DLBZAZTESA-N 2 2 334.508 2.381 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000081571990 463463286 /nfs/dbraw/zinc/46/32/86/463463286.db2.gz ZDAROFSRUNXCJU-DLBZAZTESA-N 2 2 334.508 2.381 20 30 EEEDLP COC[C@@H]([NH2+]CC#CC[NH2+][C@H](COC)c1ccco1)c1ccco1 ZINC000283878970 464031971 /nfs/dbraw/zinc/03/19/71/464031971.db2.gz AOXXDGBYLLQSTQ-HZPDHXFCSA-N 2 2 332.400 2.130 20 30 EEEDLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181625708 464514995 /nfs/dbraw/zinc/51/49/95/464514995.db2.gz QZBXGEWGGRTTIZ-JKSUJKDBSA-N 2 2 342.487 2.415 20 30 EEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247006237 464642116 /nfs/dbraw/zinc/64/21/16/464642116.db2.gz BUFKRDBMNPVRBT-CRAIPNDOSA-N 2 2 331.464 2.137 20 30 EEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247006237 464642122 /nfs/dbraw/zinc/64/21/22/464642122.db2.gz BUFKRDBMNPVRBT-CRAIPNDOSA-N 2 2 331.464 2.137 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247356748 464670592 /nfs/dbraw/zinc/67/05/92/464670592.db2.gz HATOJFPAUFZPFF-IAGOWNOFSA-N 2 2 334.508 2.381 20 30 EEEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247356748 464670596 /nfs/dbraw/zinc/67/05/96/464670596.db2.gz HATOJFPAUFZPFF-IAGOWNOFSA-N 2 2 334.508 2.381 20 30 EEEDLP Cc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267001748 464900760 /nfs/dbraw/zinc/90/07/60/464900760.db2.gz HLKIOMDQSUODSF-UHFFFAOYSA-N 2 2 340.427 2.332 20 30 EEEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329486565 465349735 /nfs/dbraw/zinc/34/97/35/465349735.db2.gz XNJDLWSWENLAGD-QGZVFWFLSA-N 2 2 325.416 2.066 20 30 EEEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329486565 465349745 /nfs/dbraw/zinc/34/97/45/465349745.db2.gz XNJDLWSWENLAGD-QGZVFWFLSA-N 2 2 325.416 2.066 20 30 EEEDLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C#N ZINC000371300708 465700017 /nfs/dbraw/zinc/70/00/17/465700017.db2.gz BOPIHOMSXZINGW-QFBILLFUSA-N 2 2 342.487 2.025 20 30 EEEDLP 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468057312 /nfs/dbraw/zinc/05/73/12/468057312.db2.gz MGEGUFGXGKIQFE-ZWKOTPCHSA-N 2 2 341.455 2.378 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516935160 468057315 /nfs/dbraw/zinc/05/73/15/468057315.db2.gz MGEGUFGXGKIQFE-ZWKOTPCHSA-N 2 2 341.455 2.378 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000488576788 468092613 /nfs/dbraw/zinc/09/26/13/468092613.db2.gz CPHYXPKYSJAEQD-SJORKVTESA-N 2 2 345.491 2.196 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccnc(C#N)c3)CCC[NH+]2C)cn1 ZINC000614780421 469050965 /nfs/dbraw/zinc/05/09/65/469050965.db2.gz ULDKJLWOPSWIIN-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccnc(C#N)c3)CCC[NH+]2C)cn1 ZINC000614780421 469050971 /nfs/dbraw/zinc/05/09/71/469050971.db2.gz ULDKJLWOPSWIIN-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccnc(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000614780421 469050976 /nfs/dbraw/zinc/05/09/76/469050976.db2.gz ULDKJLWOPSWIIN-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccnc(C#N)c3)CCC[N@H+]2C)cn1 ZINC000614780421 469050980 /nfs/dbraw/zinc/05/09/80/469050980.db2.gz ULDKJLWOPSWIIN-QFBILLFUSA-N 2 2 338.459 2.202 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655966829 471560272 /nfs/dbraw/zinc/56/02/72/471560272.db2.gz NSWTYMFOYNSKLA-KRWDZBQOSA-N 2 2 336.524 2.399 20 30 EEEDLP C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655966829 471560273 /nfs/dbraw/zinc/56/02/73/471560273.db2.gz NSWTYMFOYNSKLA-KRWDZBQOSA-N 2 2 336.524 2.399 20 30 EEEDLP CCC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181905951 528377840 /nfs/dbraw/zinc/37/78/40/528377840.db2.gz QUFGWIHISXALMQ-IBGZPJMESA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000768516501 577557604 /nfs/dbraw/zinc/55/76/04/577557604.db2.gz VHBTYOFGEZFEFV-FXAWDEMLSA-N 2 2 326.488 2.475 20 30 EEEDLP C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000768516501 577557605 /nfs/dbraw/zinc/55/76/05/577557605.db2.gz VHBTYOFGEZFEFV-FXAWDEMLSA-N 2 2 326.488 2.475 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)CC1 ZINC000761956953 577692309 /nfs/dbraw/zinc/69/23/09/577692309.db2.gz SOJYMAQMLGGKMP-HXUWFJFHSA-N 2 2 339.483 2.218 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)CC1 ZINC000761956953 577692310 /nfs/dbraw/zinc/69/23/10/577692310.db2.gz SOJYMAQMLGGKMP-HXUWFJFHSA-N 2 2 339.483 2.218 20 30 EEEDLP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000763230954 577717407 /nfs/dbraw/zinc/71/74/07/577717407.db2.gz LIUKFZSXHWOPJO-FQEVSTJZSA-N 2 2 336.439 2.241 20 30 EEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccccc2SCC#N)CC1 ZINC000748751248 577966351 /nfs/dbraw/zinc/96/63/51/577966351.db2.gz PJVZFRLTFYSTKK-UHFFFAOYSA-N 2 2 346.500 2.058 20 30 EEEDLP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000972352726 678590969 /nfs/dbraw/zinc/59/09/69/678590969.db2.gz CSEBXECELADHRW-ROUUACIJSA-N 2 2 346.450 2.070 20 30 EEEDLP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000972352726 678590972 /nfs/dbraw/zinc/59/09/72/678590972.db2.gz CSEBXECELADHRW-ROUUACIJSA-N 2 2 346.450 2.070 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972629591 679458874 /nfs/dbraw/zinc/45/88/74/679458874.db2.gz WMEXLEIGHGEKAR-MRXNPFEDSA-N 2 2 345.834 2.166 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972629591 679458875 /nfs/dbraw/zinc/45/88/75/679458875.db2.gz WMEXLEIGHGEKAR-MRXNPFEDSA-N 2 2 345.834 2.166 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448692 679909560 /nfs/dbraw/zinc/90/95/60/679909560.db2.gz VTBZNZDACNGYTI-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448692 679909564 /nfs/dbraw/zinc/90/95/64/679909564.db2.gz VTBZNZDACNGYTI-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001024448692 679909566 /nfs/dbraw/zinc/90/95/66/679909566.db2.gz VTBZNZDACNGYTI-QAPCUYQASA-N 2 2 345.491 2.337 20 30 EEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988743454 691137894 /nfs/dbraw/zinc/13/78/94/691137894.db2.gz MQEIOBCFOLNCNS-QWHCGFSZSA-N 2 2 343.456 2.055 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364564 1194479042 /nfs/dbraw/zinc/47/90/42/1194479042.db2.gz FYFQTANSTLDVIE-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364564 1194479044 /nfs/dbraw/zinc/47/90/44/1194479044.db2.gz FYFQTANSTLDVIE-RTBURBONSA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033364564 1194479046 /nfs/dbraw/zinc/47/90/46/1194479046.db2.gz FYFQTANSTLDVIE-RTBURBONSA-N 2 2 349.519 2.129 20 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C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034129235 1195825968 /nfs/dbraw/zinc/82/59/68/1195825968.db2.gz AGYBNIDNAAVRRO-PMACEKPBSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034129235 1195825973 /nfs/dbraw/zinc/82/59/73/1195825973.db2.gz AGYBNIDNAAVRRO-PMACEKPBSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001034678181 1196522661 /nfs/dbraw/zinc/52/26/61/1196522661.db2.gz OCIJVXBQASJDSC-JYJNAYRXSA-N 2 2 330.476 2.416 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001034678181 1196522664 /nfs/dbraw/zinc/52/26/64/1196522664.db2.gz OCIJVXBQASJDSC-JYJNAYRXSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1C ZINC001133217654 1200587658 /nfs/dbraw/zinc/58/76/58/1200587658.db2.gz JLYXQMSMVZLOIV-CVEARBPZSA-N 2 2 339.443 2.141 20 30 EEEDLP 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/nfs/dbraw/zinc/41/47/39/789414739.db2.gz ONVMMLBMIDLAAX-MPGHIAIKSA-N 2 2 343.475 2.041 20 30 EEEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297028 789588142 /nfs/dbraw/zinc/58/81/42/789588142.db2.gz FSWWJLBDGDEDLM-GDBMZVCRSA-N 2 2 328.460 2.070 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000997832949 791251646 /nfs/dbraw/zinc/25/16/46/791251646.db2.gz MQEFELGGTDZULH-HNNXBMFYSA-N 2 2 339.443 2.284 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998045288 791881989 /nfs/dbraw/zinc/88/19/89/791881989.db2.gz JSZAFYAAOWAIFN-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998045288 791881991 /nfs/dbraw/zinc/88/19/91/791881991.db2.gz JSZAFYAAOWAIFN-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998045288 791881998 /nfs/dbraw/zinc/88/19/98/791881998.db2.gz JSZAFYAAOWAIFN-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998045288 791882002 /nfs/dbraw/zinc/88/20/02/791882002.db2.gz JSZAFYAAOWAIFN-SJORKVTESA-N 2 2 342.487 2.159 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1F ZINC001079316836 794572485 /nfs/dbraw/zinc/57/24/85/794572485.db2.gz ADNSXEYAWVBUFZ-DOTOQJQBSA-N 2 2 342.418 2.252 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999726556 794863415 /nfs/dbraw/zinc/86/34/15/794863415.db2.gz ODZRNWVDFPUXKB-AWEZNQCLSA-N 2 2 336.867 2.095 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001079879580 795313011 /nfs/dbraw/zinc/31/30/11/795313011.db2.gz ZNVRUXXQODBNAO-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001079879580 795313018 /nfs/dbraw/zinc/31/30/18/795313018.db2.gz ZNVRUXXQODBNAO-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001079879580 795313023 /nfs/dbraw/zinc/31/30/23/795313023.db2.gz ZNVRUXXQODBNAO-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001079879580 795313029 /nfs/dbraw/zinc/31/30/29/795313029.db2.gz ZNVRUXXQODBNAO-QRQLOZEOSA-N 2 2 331.504 2.101 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076781 796864062 /nfs/dbraw/zinc/86/40/62/796864062.db2.gz LPGXUGQYRWKZML-UJCHZGTJSA-N 2 2 343.471 2.398 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076781 796864068 /nfs/dbraw/zinc/86/40/68/796864068.db2.gz LPGXUGQYRWKZML-UJCHZGTJSA-N 2 2 343.471 2.398 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000994151605 797335325 /nfs/dbraw/zinc/33/53/25/797335325.db2.gz VQVGKLALFFCAAF-LPHOPBHVSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000994151605 797335330 /nfs/dbraw/zinc/33/53/30/797335330.db2.gz VQVGKLALFFCAAF-LPHOPBHVSA-N 2 2 336.439 2.478 20 30 EEEDLP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175480079 798119403 /nfs/dbraw/zinc/11/94/03/798119403.db2.gz WUJYBULWRJNFPX-LBPRGKRZSA-N 2 2 343.269 2.125 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608994 798311850 /nfs/dbraw/zinc/31/18/50/798311850.db2.gz RDMMSEXBZLSMEC-CAOSSQGBSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608994 798311855 /nfs/dbraw/zinc/31/18/55/798311855.db2.gz RDMMSEXBZLSMEC-CAOSSQGBSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608994 798311860 /nfs/dbraw/zinc/31/18/60/798311860.db2.gz RDMMSEXBZLSMEC-CAOSSQGBSA-N 2 2 325.884 2.002 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608994 798311867 /nfs/dbraw/zinc/31/18/67/798311867.db2.gz RDMMSEXBZLSMEC-CAOSSQGBSA-N 2 2 325.884 2.002 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810767 798581576 /nfs/dbraw/zinc/58/15/76/798581576.db2.gz OPXZOYHKJVCYCE-QGZVFWFLSA-N 2 2 336.480 2.131 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001177352800 798904510 /nfs/dbraw/zinc/90/45/10/798904510.db2.gz MGAFTCPMZHPPCT-GOSISDBHSA-N 2 2 342.487 2.077 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC001003054995 799124115 /nfs/dbraw/zinc/12/41/15/799124115.db2.gz DXQLCIFGJUWEES-IBGZPJMESA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC001003054995 799124118 /nfs/dbraw/zinc/12/41/18/799124118.db2.gz DXQLCIFGJUWEES-IBGZPJMESA-N 2 2 343.446 2.004 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001085374959 800424451 /nfs/dbraw/zinc/42/44/51/800424451.db2.gz RTJVLXLWJIGJQB-IAGOWNOFSA-N 2 2 337.427 2.041 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085648062 800986838 /nfs/dbraw/zinc/98/68/38/800986838.db2.gz BKZXIEODNWJSBZ-OALUTQOASA-N 2 2 329.488 2.117 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085648062 800986846 /nfs/dbraw/zinc/98/68/46/800986846.db2.gz BKZXIEODNWJSBZ-OALUTQOASA-N 2 2 329.488 2.117 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085648062 800986852 /nfs/dbraw/zinc/98/68/52/800986852.db2.gz BKZXIEODNWJSBZ-OALUTQOASA-N 2 2 329.488 2.117 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085648062 800986859 /nfs/dbraw/zinc/98/68/59/800986859.db2.gz BKZXIEODNWJSBZ-OALUTQOASA-N 2 2 329.488 2.117 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473067 802163682 /nfs/dbraw/zinc/16/36/82/802163682.db2.gz KBIDXJYKKFEIQW-QZTJIDSGSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004473067 802163689 /nfs/dbraw/zinc/16/36/89/802163689.db2.gz KBIDXJYKKFEIQW-QZTJIDSGSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)=[NH+]COC ZINC001169510717 803802190 /nfs/dbraw/zinc/80/21/90/803802190.db2.gz GOSYVQOQYDOCRU-SJLPKXTDSA-N 2 2 345.443 2.224 20 30 EEEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001108711457 804396181 /nfs/dbraw/zinc/39/61/81/804396181.db2.gz JJFGYACRZZHVEH-UAGQMJEPSA-N 2 2 329.444 2.178 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001109464144 805506398 /nfs/dbraw/zinc/50/63/98/805506398.db2.gz NXTOGWMZSBFWEZ-LMSBXDPUSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001109464144 805506404 /nfs/dbraw/zinc/50/64/04/805506404.db2.gz NXTOGWMZSBFWEZ-LMSBXDPUSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621926 810768385 /nfs/dbraw/zinc/76/83/85/810768385.db2.gz WLWJGYAOYHDMCQ-PKOBYXMFSA-N 2 2 338.455 2.421 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621926 810768391 /nfs/dbraw/zinc/76/83/91/810768391.db2.gz WLWJGYAOYHDMCQ-PKOBYXMFSA-N 2 2 338.455 2.421 20 30 EEEDLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001445443411 1091204115 /nfs/dbraw/zinc/20/41/15/1091204115.db2.gz BLMCMYYHVAQYDL-OAHLLOKOSA-N 2 2 339.443 2.138 20 30 EEEDLP C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001438718963 1091242493 /nfs/dbraw/zinc/24/24/93/1091242493.db2.gz XNFIMLMNJWVNMR-ZDUSSCGKSA-N 2 2 343.269 2.008 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001442806077 1097188432 /nfs/dbraw/zinc/18/84/32/1097188432.db2.gz DKMJXOWNHKYTCJ-KBPBESRZSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001442806077 1097188434 /nfs/dbraw/zinc/18/84/34/1097188434.db2.gz DKMJXOWNHKYTCJ-KBPBESRZSA-N 2 2 346.313 2.062 20 30 EEEDLP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416186 1107483640 /nfs/dbraw/zinc/48/36/40/1107483640.db2.gz RPWMIXYSFCZUBD-KRWDZBQOSA-N 2 2 342.487 2.227 20 30 EEEDLP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416186 1107483644 /nfs/dbraw/zinc/48/36/44/1107483644.db2.gz RPWMIXYSFCZUBD-KRWDZBQOSA-N 2 2 342.487 2.227 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000050024516 214039815 /nfs/dbraw/zinc/03/98/15/214039815.db2.gz MPXPLLHTNZDLCF-GOSISDBHSA-N 2 2 347.890 2.404 20 30 EEEDLP C#CC[NH+]1CCC(c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)CC1 ZINC000277883203 201308010 /nfs/dbraw/zinc/30/80/10/201308010.db2.gz KYAHUJJPRXFNTB-UHFFFAOYSA-N 2 2 348.410 2.438 20 30 EEEDLP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000193885446 240346974 /nfs/dbraw/zinc/34/69/74/240346974.db2.gz AAGKHCLJXLHQHI-PKOBYXMFSA-N 2 2 341.455 2.454 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000247569450 160329431 /nfs/dbraw/zinc/32/94/31/160329431.db2.gz LHUCUYOWCOGRQK-WBMJQRKESA-N 2 2 341.415 2.486 20 30 EEEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534126617 270022812 /nfs/dbraw/zinc/02/28/12/270022812.db2.gz XCLPTMXGQMBDKI-UHFFFAOYSA-N 2 2 335.411 2.468 20 30 EEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000564860645 319119176 /nfs/dbraw/zinc/11/91/76/319119176.db2.gz QSSBQCHAJYVZSO-RBUKOAKNSA-N 2 2 345.487 2.398 20 30 EEEDLP C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC000329326481 465300433 /nfs/dbraw/zinc/30/04/33/465300433.db2.gz WPUMGZZJJSJKDW-JKSUJKDBSA-N 2 2 345.491 2.239 20 30 EEEDLP C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC000329326481 465300437 /nfs/dbraw/zinc/30/04/37/465300437.db2.gz WPUMGZZJJSJKDW-JKSUJKDBSA-N 2 2 345.491 2.239 20 30 EEEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000521442717 468314226 /nfs/dbraw/zinc/31/42/26/468314226.db2.gz ONHVCRYHIJEOHF-LJQANCHMSA-N 2 2 328.460 2.246 20 30 EEEDLP CN(C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)C1(C#N)CCCCC1 ZINC000075860629 462765153 /nfs/dbraw/zinc/76/51/53/462765153.db2.gz WYNVPOOMBODXEF-QGZVFWFLSA-N 2 2 334.508 2.477 20 30 EEEDLP CN(C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C1(C#N)CCCCC1 ZINC000075860629 462765156 /nfs/dbraw/zinc/76/51/56/462765156.db2.gz WYNVPOOMBODXEF-QGZVFWFLSA-N 2 2 334.508 2.477 20 30 EEEDLP CN(C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C1(C#N)CCCCC1 ZINC000075860629 462765160 /nfs/dbraw/zinc/76/51/60/462765160.db2.gz WYNVPOOMBODXEF-QGZVFWFLSA-N 2 2 334.508 2.477 20 30 EEEDLP CN(C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C1(C#N)CCCCC1 ZINC000075860629 462765164 /nfs/dbraw/zinc/76/51/64/462765164.db2.gz WYNVPOOMBODXEF-QGZVFWFLSA-N 2 2 334.508 2.477 20 30 EEEDLP N#CCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133467730 462935601 /nfs/dbraw/zinc/93/56/01/462935601.db2.gz LHMNLRKABJFXER-SFHVURJKSA-N 2 2 327.476 2.219 20 30 EEEDLP N#CCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133467730 462935607 /nfs/dbraw/zinc/93/56/07/462935607.db2.gz LHMNLRKABJFXER-SFHVURJKSA-N 2 2 327.476 2.219 20 30 EEEDLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1F ZINC000135292322 463138500 /nfs/dbraw/zinc/13/85/00/463138500.db2.gz WGIHKWFMVZCCPO-GOSISDBHSA-N 2 2 340.402 2.075 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000536368276 468349144 /nfs/dbraw/zinc/34/91/44/468349144.db2.gz DFFRBENYRSZCHK-UHFFFAOYSA-N 2 2 341.459 2.301 20 30 EEEDLP CCCc1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)co1 ZINC000329787965 465434814 /nfs/dbraw/zinc/43/48/14/465434814.db2.gz RMXTYOBJSSYILG-UHFFFAOYSA-N 2 2 334.464 2.490 20 30 EEEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CCOc2ccccc21 ZINC000262801077 464047244 /nfs/dbraw/zinc/04/72/44/464047244.db2.gz RFQPQUULZRTBLY-INIZCTEOSA-N 2 2 348.516 2.114 20 30 EEEDLP COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000264110558 464283752 /nfs/dbraw/zinc/28/37/52/464283752.db2.gz OVQLDIOSVQTDBE-INIZCTEOSA-N 2 2 330.432 2.038 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000281243755 464383550 /nfs/dbraw/zinc/38/35/50/464383550.db2.gz GIEQRARYEZFRDP-QRQLOZEOSA-N 2 2 327.472 2.274 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000281243755 464383554 /nfs/dbraw/zinc/38/35/54/464383554.db2.gz GIEQRARYEZFRDP-QRQLOZEOSA-N 2 2 327.472 2.274 20 30 EEEDLP CSC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271871470 464396194 /nfs/dbraw/zinc/39/61/94/464396194.db2.gz MUQYSJRPJVBYQW-GOSISDBHSA-N 2 2 333.501 2.226 20 30 EEEDLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181625750 464514640 /nfs/dbraw/zinc/51/46/40/464514640.db2.gz QZBXGEWGGRTTIZ-HOTGVXAUSA-N 2 2 342.487 2.415 20 30 EEEDLP C[C@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267038677 464913090 /nfs/dbraw/zinc/91/30/90/464913090.db2.gz YFIOSWBLNMHWLX-GJZGRUSLSA-N 2 2 346.475 2.175 20 30 EEEDLP Cn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000329618572 465388276 /nfs/dbraw/zinc/38/82/76/465388276.db2.gz QNGYTSSWZTWGGY-UHFFFAOYSA-N 2 2 345.491 2.161 20 30 EEEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343313750 465503534 /nfs/dbraw/zinc/50/35/34/465503534.db2.gz KCKPYJNJDJQAPB-MRXNPFEDSA-N 2 2 337.431 2.498 20 30 EEEDLP C=CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343313750 465503545 /nfs/dbraw/zinc/50/35/45/465503545.db2.gz KCKPYJNJDJQAPB-MRXNPFEDSA-N 2 2 337.431 2.498 20 30 EEEDLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000340175271 465846039 /nfs/dbraw/zinc/84/60/39/465846039.db2.gz DFRISSTYGPNDIZ-JENIJYKNSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000340175271 465846045 /nfs/dbraw/zinc/84/60/45/465846045.db2.gz DFRISSTYGPNDIZ-JENIJYKNSA-N 2 2 329.444 2.250 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000366667138 465864069 /nfs/dbraw/zinc/86/40/69/465864069.db2.gz VQKUBGWWVLLHDC-MRXNPFEDSA-N 2 2 345.491 2.409 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000345809517 465905391 /nfs/dbraw/zinc/90/53/91/465905391.db2.gz DTBPQUPZJIGZMP-QZTJIDSGSA-N 2 2 349.523 2.269 20 30 EEEDLP CN(C(=O)NCCCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000345809517 465905401 /nfs/dbraw/zinc/90/54/01/465905401.db2.gz DTBPQUPZJIGZMP-QZTJIDSGSA-N 2 2 349.523 2.269 20 30 EEEDLP C=C(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000346780316 466149477 /nfs/dbraw/zinc/14/94/77/466149477.db2.gz PTKLAQSQSSXCBS-UHFFFAOYSA-N 2 2 329.488 2.086 20 30 EEEDLP C=C(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000346780316 466149484 /nfs/dbraw/zinc/14/94/84/466149484.db2.gz PTKLAQSQSSXCBS-UHFFFAOYSA-N 2 2 329.488 2.086 20 30 EEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000581922536 468500803 /nfs/dbraw/zinc/50/08/03/468500803.db2.gz VAKIGMMVPQWHTM-KRWDZBQOSA-N 2 2 335.492 2.272 20 30 EEEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000581922536 468500807 /nfs/dbraw/zinc/50/08/07/468500807.db2.gz VAKIGMMVPQWHTM-KRWDZBQOSA-N 2 2 335.492 2.272 20 30 EEEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000570825497 468699353 /nfs/dbraw/zinc/69/93/53/468699353.db2.gz UMQBUQLSIJTIIO-OAHLLOKOSA-N 2 2 339.443 2.050 20 30 EEEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000570825497 468699357 /nfs/dbraw/zinc/69/93/57/468699357.db2.gz UMQBUQLSIJTIIO-OAHLLOKOSA-N 2 2 339.443 2.050 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718627 469019912 /nfs/dbraw/zinc/01/99/12/469019912.db2.gz PLAOFGRRLGYLLL-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718627 469019919 /nfs/dbraw/zinc/01/99/19/469019919.db2.gz PLAOFGRRLGYLLL-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000610995360 469134829 /nfs/dbraw/zinc/13/48/29/469134829.db2.gz YHKHSXFIBYFVQT-NZSAHSFTSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000610995360 469134833 /nfs/dbraw/zinc/13/48/33/469134833.db2.gz YHKHSXFIBYFVQT-NZSAHSFTSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000610995360 469134837 /nfs/dbraw/zinc/13/48/37/469134837.db2.gz YHKHSXFIBYFVQT-NZSAHSFTSA-N 2 2 338.455 2.033 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000610995360 469134843 /nfs/dbraw/zinc/13/48/43/469134843.db2.gz YHKHSXFIBYFVQT-NZSAHSFTSA-N 2 2 338.455 2.033 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000609279321 469911342 /nfs/dbraw/zinc/91/13/42/469911342.db2.gz FWUGJVPYHSFDDA-UHFFFAOYSA-N 2 2 347.415 2.496 20 30 EEEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(C)C[C@@H]1CCOC1 ZINC000132207978 526381190 /nfs/dbraw/zinc/38/11/90/526381190.db2.gz QSWVORWIJGWQDE-HNNXBMFYSA-N 2 2 345.422 2.055 20 30 EEEDLP CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000731930656 577136606 /nfs/dbraw/zinc/13/66/06/577136606.db2.gz GTCMFLPTVIIJFF-UHFFFAOYSA-N 2 2 344.488 2.012 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2C)C(C)C)CC1 ZINC000775405615 577436719 /nfs/dbraw/zinc/43/67/19/577436719.db2.gz CXFQRPMMZFCJIX-HXUWFJFHSA-N 2 2 327.472 2.059 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000775406929 577436775 /nfs/dbraw/zinc/43/67/75/577436775.db2.gz ADPLPVXQXNOESD-FQEVSTJZSA-N 2 2 341.499 2.449 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)CC1 ZINC000761956951 577692344 /nfs/dbraw/zinc/69/23/44/577692344.db2.gz SOJYMAQMLGGKMP-FQEVSTJZSA-N 2 2 339.483 2.218 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)CC1 ZINC000761956951 577692345 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20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970001232 675374846 /nfs/dbraw/zinc/37/48/46/675374846.db2.gz PCXVCOPVKDHOCR-DZGCQCFKSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251585 682331442 /nfs/dbraw/zinc/33/14/42/682331442.db2.gz JNSFMQNAIVGDAY-DLBZAZTESA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025251585 682331449 /nfs/dbraw/zinc/33/14/49/682331449.db2.gz JNSFMQNAIVGDAY-DLBZAZTESA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296845 682410736 /nfs/dbraw/zinc/41/07/36/682410736.db2.gz LSSVSVUQMGHFEF-MSOLQXFVSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296845 682410739 /nfs/dbraw/zinc/41/07/39/682410739.db2.gz LSSVSVUQMGHFEF-MSOLQXFVSA-N 2 2 330.476 2.384 20 30 EEEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)N(C)Cc1cccn1C ZINC000261956665 682629361 /nfs/dbraw/zinc/62/93/61/682629361.db2.gz IYALWLQWSAGLTQ-UHFFFAOYSA-N 2 2 336.443 2.418 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC000992752096 683383270 /nfs/dbraw/zinc/38/32/70/683383270.db2.gz GZFIWMPCNSZXGV-IXDOHACOSA-N 2 2 330.476 2.146 20 30 EEEDLP C=CCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000974601011 685103938 /nfs/dbraw/zinc/10/39/38/685103938.db2.gz QWFAPNIEJRZECB-IAGOWNOFSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C(C)(C)C1 ZINC000974601011 685103943 /nfs/dbraw/zinc/10/39/43/685103943.db2.gz QWFAPNIEJRZECB-IAGOWNOFSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000974601011 685103945 /nfs/dbraw/zinc/10/39/45/685103945.db2.gz QWFAPNIEJRZECB-IAGOWNOFSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000974601011 685103949 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BXYRKIXZSMXLDO-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)CC1(C)C ZINC000974683131 685230880 /nfs/dbraw/zinc/23/08/80/685230880.db2.gz BXYRKIXZSMXLDO-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001034045250 1195697086 /nfs/dbraw/zinc/69/70/86/1195697086.db2.gz IZQVUXKPLKKDKH-QGZVFWFLSA-N 2 2 337.895 2.007 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279488 1196041231 /nfs/dbraw/zinc/04/12/31/1196041231.db2.gz TYTXMARZFMXUKO-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279488 1196041237 /nfs/dbraw/zinc/04/12/37/1196041237.db2.gz TYTXMARZFMXUKO-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279488 1196041239 /nfs/dbraw/zinc/04/12/39/1196041239.db2.gz TYTXMARZFMXUKO-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279488 1196041243 /nfs/dbraw/zinc/04/12/43/1196041243.db2.gz TYTXMARZFMXUKO-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474168 1196263934 /nfs/dbraw/zinc/26/39/34/1196263934.db2.gz PEDRIEFVAONCMH-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474168 1196263937 /nfs/dbraw/zinc/26/39/37/1196263937.db2.gz PEDRIEFVAONCMH-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014776921 1224334766 /nfs/dbraw/zinc/33/47/66/1224334766.db2.gz SDDNFRWYLUHQDO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014776921 1224334772 /nfs/dbraw/zinc/33/47/72/1224334772.db2.gz SDDNFRWYLUHQDO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014776921 1224334777 /nfs/dbraw/zinc/33/47/77/1224334777.db2.gz SDDNFRWYLUHQDO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014776921 1224334782 /nfs/dbraw/zinc/33/47/82/1224334782.db2.gz SDDNFRWYLUHQDO-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132440987 1199724586 /nfs/dbraw/zinc/72/45/86/1199724586.db2.gz IRGFTIXQAKJNBW-CABCVRRESA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C#N)s2)C1 ZINC001132440987 1199724587 /nfs/dbraw/zinc/72/45/87/1199724587.db2.gz IRGFTIXQAKJNBW-CABCVRRESA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC001132440987 1199724591 /nfs/dbraw/zinc/72/45/91/1199724591.db2.gz IRGFTIXQAKJNBW-CABCVRRESA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001132440987 1199724597 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C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164495851 1321396827 /nfs/dbraw/zinc/39/68/27/1321396827.db2.gz AKPHRLSPDRDUAQ-AEFFLSMTSA-N 2 2 337.508 2.080 20 30 EEEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001164566917 1321420429 /nfs/dbraw/zinc/42/04/29/1321420429.db2.gz UYOZNQKUVZEGFS-IAGOWNOFSA-N 2 2 342.487 2.216 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]Cc3ccccc3C#N)ccn12 ZINC001321847850 1333167443 /nfs/dbraw/zinc/16/74/43/1333167443.db2.gz BQIUBPYAEVFGKJ-AWEZNQCLSA-N 2 2 347.422 2.423 20 30 EEEDLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)cc1 ZINC001662282092 1354774502 /nfs/dbraw/zinc/77/45/02/1354774502.db2.gz BNKZQYMETWEKHK-AWEZNQCLSA-N 2 2 333.395 2.114 20 30 EEEDLP C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135133033 1368051427 /nfs/dbraw/zinc/05/14/27/1368051427.db2.gz WIDHWIQTNHSXTO-CHWSQXEVSA-N 2 2 343.269 2.055 20 30 EEEDLP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001382162010 1382017699 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RWKZXEOUHMDHML-RDJZCZTQSA-N 2 2 336.867 2.244 20 30 EEEDLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971913 775449049 /nfs/dbraw/zinc/44/90/49/775449049.db2.gz NKDMMXLIUVPGGI-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)s1 ZINC001027971913 775449052 /nfs/dbraw/zinc/44/90/52/775449052.db2.gz NKDMMXLIUVPGGI-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001027971913 775449055 /nfs/dbraw/zinc/44/90/55/775449055.db2.gz NKDMMXLIUVPGGI-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001027971913 775449057 /nfs/dbraw/zinc/44/90/57/775449057.db2.gz NKDMMXLIUVPGGI-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001212325118 775763543 /nfs/dbraw/zinc/76/35/43/775763543.db2.gz IXLPZFUMQQKDKX-KRWDZBQOSA-N 2 2 340.427 2.372 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000981352132 777234074 /nfs/dbraw/zinc/23/40/74/777234074.db2.gz AKBQESOXTOPWCC-OLZOCXBDSA-N 2 2 343.456 2.103 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981383262 777275246 /nfs/dbraw/zinc/27/52/46/777275246.db2.gz AZEAXNAXHMOCIK-HZPDHXFCSA-N 2 2 326.444 2.388 20 30 EEEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976630 783540012 /nfs/dbraw/zinc/54/00/12/783540012.db2.gz OFIOEXHSLCEOSX-UHFFFAOYSA-N 2 2 344.418 2.243 20 30 EEEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997747190 790967824 /nfs/dbraw/zinc/96/78/24/790967824.db2.gz FYPBHZNILOAETI-HOCLYGCPSA-N 2 2 328.460 2.070 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775011 784402652 /nfs/dbraw/zinc/40/26/52/784402652.db2.gz RVWKYDTVNAYULD-STQMWFEESA-N 2 2 343.406 2.036 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccccc1 ZINC001032453661 789816900 /nfs/dbraw/zinc/81/69/00/789816900.db2.gz IUZDPVWFGCCTED-GTAWCEEGSA-N 2 2 337.467 2.130 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccccc1 ZINC001032453661 789816910 /nfs/dbraw/zinc/81/69/10/789816910.db2.gz IUZDPVWFGCCTED-GTAWCEEGSA-N 2 2 337.467 2.130 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccccc1 ZINC001032453661 789816917 /nfs/dbraw/zinc/81/69/17/789816917.db2.gz IUZDPVWFGCCTED-GTAWCEEGSA-N 2 2 337.467 2.130 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccccc1 ZINC001032453661 789816924 /nfs/dbraw/zinc/81/69/24/789816924.db2.gz IUZDPVWFGCCTED-GTAWCEEGSA-N 2 2 337.467 2.130 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955598 793097012 /nfs/dbraw/zinc/09/70/12/793097012.db2.gz RHYRCQCVKIAZHQ-QGZVFWFLSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086532279 806250763 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TWKJUUQAMVHFFK-MSOLQXFVSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717307 794610872 /nfs/dbraw/zinc/61/08/72/794610872.db2.gz TWKJUUQAMVHFFK-MSOLQXFVSA-N 2 2 336.439 2.202 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450656 796258753 /nfs/dbraw/zinc/25/87/53/796258753.db2.gz YCNAVENCSVEGNX-ILZDJORESA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450656 796258756 /nfs/dbraw/zinc/25/87/56/796258756.db2.gz YCNAVENCSVEGNX-ILZDJORESA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC001078632636 796754540 /nfs/dbraw/zinc/75/45/40/796754540.db2.gz RCSOBQPISWHDSH-SJORKVTESA-N 2 2 342.487 2.355 20 30 EEEDLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970579 797176173 /nfs/dbraw/zinc/17/61/73/797176173.db2.gz HNQIQHZCBHVFBV-OAGGEKHMSA-N 2 2 336.480 2.352 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001095039573 797263436 /nfs/dbraw/zinc/26/34/36/797263436.db2.gz VOAZRLBJOQKOPO-MJBXVCDLSA-N 2 2 336.867 2.409 20 30 EEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176001005 798312758 /nfs/dbraw/zinc/31/27/58/798312758.db2.gz XUKCLVMKCUJPTH-OAHLLOKOSA-N 2 2 327.432 2.332 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084973407 798586375 /nfs/dbraw/zinc/58/63/75/798586375.db2.gz OIDNJENYUJLFSC-OAGGEKHMSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084973407 798586378 /nfs/dbraw/zinc/58/63/78/798586378.db2.gz OIDNJENYUJLFSC-OAGGEKHMSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084973407 798586382 /nfs/dbraw/zinc/58/63/82/798586382.db2.gz OIDNJENYUJLFSC-OAGGEKHMSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084973407 798586387 /nfs/dbraw/zinc/58/63/87/798586387.db2.gz OIDNJENYUJLFSC-OAGGEKHMSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053174 798637406 /nfs/dbraw/zinc/63/74/06/798637406.db2.gz HNCNBVSPJQGSHP-NUJGCVRESA-N 2 2 330.476 2.477 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053174 798637407 /nfs/dbraw/zinc/63/74/07/798637407.db2.gz HNCNBVSPJQGSHP-NUJGCVRESA-N 2 2 330.476 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053174 798637409 /nfs/dbraw/zinc/63/74/09/798637409.db2.gz HNCNBVSPJQGSHP-NUJGCVRESA-N 2 2 330.476 2.477 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053174 798637411 /nfs/dbraw/zinc/63/74/11/798637411.db2.gz HNCNBVSPJQGSHP-NUJGCVRESA-N 2 2 330.476 2.477 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181951595 800973610 /nfs/dbraw/zinc/97/36/10/800973610.db2.gz DXWFLPLMJSYCMC-JTDSTZFVSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205947 801102863 /nfs/dbraw/zinc/10/28/63/801102863.db2.gz BLSQPRYLMVRDNF-KXBFYZLASA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205947 801102866 /nfs/dbraw/zinc/10/28/66/801102866.db2.gz BLSQPRYLMVRDNF-KXBFYZLASA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731763 801719314 /nfs/dbraw/zinc/71/93/14/801719314.db2.gz TUOYIDWLKQAROB-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490354 802196490 /nfs/dbraw/zinc/19/64/90/802196490.db2.gz QNEGBJROCQYGRX-KRWDZBQOSA-N 2 2 336.439 2.284 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490354 802196500 /nfs/dbraw/zinc/19/65/00/802196500.db2.gz QNEGBJROCQYGRX-KRWDZBQOSA-N 2 2 336.439 2.284 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595076 802447572 /nfs/dbraw/zinc/44/75/72/802447572.db2.gz FFTAMUAPMXQCPZ-QGZVFWFLSA-N 2 2 342.487 2.414 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004595076 802447575 /nfs/dbraw/zinc/44/75/75/802447575.db2.gz FFTAMUAPMXQCPZ-QGZVFWFLSA-N 2 2 342.487 2.414 20 30 EEEDLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]Cc1ccccc1C#N ZINC001568182879 1124344094 /nfs/dbraw/zinc/34/40/94/1124344094.db2.gz SFZIGFWHFMNCJA-OAHLLOKOSA-N 2 2 347.422 2.362 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000272882569 201259788 /nfs/dbraw/zinc/25/97/88/201259788.db2.gz VVXODJZAYVLAIU-UHFFFAOYSA-N 2 2 338.517 2.335 20 30 EEEDLP C=CCS(=O)(=O)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000272882569 201259789 /nfs/dbraw/zinc/25/97/89/201259789.db2.gz VVXODJZAYVLAIU-UHFFFAOYSA-N 2 2 338.517 2.335 20 30 EEEDLP C[C@]1([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000564337871 319079734 /nfs/dbraw/zinc/07/97/34/319079734.db2.gz VPAXIUUNHQRORO-FQEVSTJZSA-N 2 2 346.438 2.355 20 30 EEEDLP C[C@]1([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000564337871 319079735 /nfs/dbraw/zinc/07/97/35/319079735.db2.gz VPAXIUUNHQRORO-FQEVSTJZSA-N 2 2 346.438 2.355 20 30 EEEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cnc2c(C#N)cnn2c1 ZINC000564986405 319135854 /nfs/dbraw/zinc/13/58/54/319135854.db2.gz QVBDWXJJMYELNF-UHFFFAOYSA-N 2 2 338.415 2.148 20 30 EEEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cnc2c(C#N)cnn2c1 ZINC000564986405 319135857 /nfs/dbraw/zinc/13/58/57/319135857.db2.gz QVBDWXJJMYELNF-UHFFFAOYSA-N 2 2 338.415 2.148 20 30 EEEDLP C[NH+](CCC[N@H+](C)Cc1cnc2c(C#N)cnn2c1)Cc1ccco1 ZINC000564986405 319135858 /nfs/dbraw/zinc/13/58/58/319135858.db2.gz QVBDWXJJMYELNF-UHFFFAOYSA-N 2 2 338.415 2.148 20 30 EEEDLP C[NH+](CCC[N@@H+](C)Cc1cnc2c(C#N)cnn2c1)Cc1ccco1 ZINC000564986405 319135861 /nfs/dbraw/zinc/13/58/61/319135861.db2.gz QVBDWXJJMYELNF-UHFFFAOYSA-N 2 2 338.415 2.148 20 30 EEEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052002232 463057470 /nfs/dbraw/zinc/05/74/70/463057470.db2.gz SLRDVBLORPYWSW-LJQANCHMSA-N 2 2 343.471 2.248 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536068902 468340821 /nfs/dbraw/zinc/34/08/21/468340821.db2.gz ORZFRGNQLOWICT-CYBMUJFWSA-N 2 2 343.818 2.373 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536068902 468340828 /nfs/dbraw/zinc/34/08/28/468340828.db2.gz ORZFRGNQLOWICT-CYBMUJFWSA-N 2 2 343.818 2.373 20 30 EEEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)N(C)Cc1ccon1 ZINC000261792704 463861354 /nfs/dbraw/zinc/86/13/54/463861354.db2.gz QOJRZMHVCWQJLD-UHFFFAOYSA-N 2 2 326.404 2.040 20 30 EEEDLP C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247629714 464698162 /nfs/dbraw/zinc/69/81/62/464698162.db2.gz NSGHDBRRAFADCN-HZPDHXFCSA-N 2 2 329.448 2.109 20 30 EEEDLP C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247629714 464698167 /nfs/dbraw/zinc/69/81/67/464698167.db2.gz NSGHDBRRAFADCN-HZPDHXFCSA-N 2 2 329.448 2.109 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000343171804 465485500 /nfs/dbraw/zinc/48/55/00/465485500.db2.gz IKMGPHFOWPFGNZ-AEFFLSMTSA-N 2 2 330.476 2.260 20 30 EEEDLP [NH2+]=C(NCC[NH+]1CCSCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000267464525 464933246 /nfs/dbraw/zinc/93/32/46/464933246.db2.gz VYUZXVFWKBHSRX-UHFFFAOYSA-N 2 2 348.394 2.361 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348275177 465526438 /nfs/dbraw/zinc/52/64/38/465526438.db2.gz IGRHDEMJOWATGO-SUMDDJOVSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348275177 465526441 /nfs/dbraw/zinc/52/64/41/465526441.db2.gz IGRHDEMJOWATGO-SUMDDJOVSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348275177 465526442 /nfs/dbraw/zinc/52/64/42/465526442.db2.gz IGRHDEMJOWATGO-SUMDDJOVSA-N 2 2 334.508 2.093 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275177 465526445 /nfs/dbraw/zinc/52/64/45/465526445.db2.gz IGRHDEMJOWATGO-SUMDDJOVSA-N 2 2 334.508 2.093 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000299176418 465637391 /nfs/dbraw/zinc/63/73/91/465637391.db2.gz XMFHQBPTNZWMEM-UHFFFAOYSA-N 2 2 340.471 2.033 20 30 EEEDLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000597179052 468472568 /nfs/dbraw/zinc/47/25/68/468472568.db2.gz SGLZULYYHADNRC-UHFFFAOYSA-N 2 2 329.444 2.108 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215567 468482624 /nfs/dbraw/zinc/48/26/24/468482624.db2.gz GHAOIZGDDPGXBY-INIZCTEOSA-N 2 2 332.492 2.135 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597215567 468482627 /nfs/dbraw/zinc/48/26/27/468482627.db2.gz GHAOIZGDDPGXBY-INIZCTEOSA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362081480 466540116 /nfs/dbraw/zinc/54/01/16/466540116.db2.gz WPNBDBVXZIRJMB-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362081480 466540123 /nfs/dbraw/zinc/54/01/23/466540123.db2.gz WPNBDBVXZIRJMB-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365278957 466765456 /nfs/dbraw/zinc/76/54/56/466765456.db2.gz XIVHPIYMQKTCOG-DNVCBOLYSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365278957 466765461 /nfs/dbraw/zinc/76/54/61/466765461.db2.gz XIVHPIYMQKTCOG-DNVCBOLYSA-N 2 2 330.451 2.155 20 30 EEEDLP Cc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425226705 467089387 /nfs/dbraw/zinc/08/93/87/467089387.db2.gz ICYDTNHHJNZUSR-KRWDZBQOSA-N 2 2 335.455 2.306 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483421165 468008434 /nfs/dbraw/zinc/00/84/34/468008434.db2.gz UDLKWPCAUKQEOQ-OALUTQOASA-N 2 2 348.535 2.378 20 30 EEEDLP CC#CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483421165 468008436 /nfs/dbraw/zinc/00/84/36/468008436.db2.gz UDLKWPCAUKQEOQ-OALUTQOASA-N 2 2 348.535 2.378 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cnc12 ZINC000550847016 468226202 /nfs/dbraw/zinc/22/62/02/468226202.db2.gz MZJFTSWIYRWCTN-UHFFFAOYSA-N 2 2 347.357 2.216 20 30 EEEDLP Cc1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823365 468527479 /nfs/dbraw/zinc/52/74/79/468527479.db2.gz OLHJRCXFJNZNNS-FQEVSTJZSA-N 2 2 336.439 2.335 20 30 EEEDLP Cc1cc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823365 468527483 /nfs/dbraw/zinc/52/74/83/468527483.db2.gz OLHJRCXFJNZNNS-FQEVSTJZSA-N 2 2 336.439 2.335 20 30 EEEDLP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000570156065 468596655 /nfs/dbraw/zinc/59/66/55/468596655.db2.gz WHDAUMLZJXIWFC-MJGOQNOKSA-N 2 2 325.460 2.008 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000610581840 469010480 /nfs/dbraw/zinc/01/04/80/469010480.db2.gz QWGIENKSUZZXPH-HUUCEWRRSA-N 2 2 341.440 2.259 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000610581840 469010485 /nfs/dbraw/zinc/01/04/85/469010485.db2.gz QWGIENKSUZZXPH-HUUCEWRRSA-N 2 2 341.440 2.259 20 30 EEEDLP CC(=O)N1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593688450 469095427 /nfs/dbraw/zinc/09/54/27/469095427.db2.gz RTLUQCHWWVILQE-UHFFFAOYSA-N 2 2 340.471 2.123 20 30 EEEDLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC2)cc1 ZINC000602865795 469127737 /nfs/dbraw/zinc/12/77/37/469127737.db2.gz YZRXQPMXOCOOQU-KRWDZBQOSA-N 2 2 342.487 2.346 20 30 EEEDLP O[C@@H](C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000629554465 469577828 /nfs/dbraw/zinc/57/78/28/469577828.db2.gz IEEHHPUMAPRTFP-INIZCTEOSA-N 2 2 326.362 2.103 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610133055 469983187 /nfs/dbraw/zinc/98/31/87/469983187.db2.gz DDDYYZSPULCUSY-INIZCTEOSA-N 2 2 326.400 2.479 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610133055 469983192 /nfs/dbraw/zinc/98/31/92/469983192.db2.gz DDDYYZSPULCUSY-INIZCTEOSA-N 2 2 326.400 2.479 20 30 EEEDLP C=CCCOCCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678840244 485517063 /nfs/dbraw/zinc/51/70/63/485517063.db2.gz DLUCOPPGJXRYDI-KRWDZBQOSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCCOCCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678840244 485517067 /nfs/dbraw/zinc/51/70/67/485517067.db2.gz DLUCOPPGJXRYDI-KRWDZBQOSA-N 2 2 337.508 2.034 20 30 EEEDLP c1cn(-c2ccc(N=NC3CC[NH+](Cc4ccccn4)CC3)nn2)c[nH+]1 ZINC000761831079 577689723 /nfs/dbraw/zinc/68/97/23/577689723.db2.gz MYKHECBEWZWDED-UHFFFAOYSA-N 2 2 348.414 2.121 20 30 EEEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1c(F)cccc1N1CCOCC1 ZINC000741162811 578114080 /nfs/dbraw/zinc/11/40/80/578114080.db2.gz IQARPANPISFQNQ-UHFFFAOYSA-N 2 2 348.466 2.462 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021586828 676240972 /nfs/dbraw/zinc/24/09/72/676240972.db2.gz FLOIMVYYPQUHEC-ZWKOTPCHSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021586828 676240973 /nfs/dbraw/zinc/24/09/73/676240973.db2.gz FLOIMVYYPQUHEC-ZWKOTPCHSA-N 2 2 336.439 2.202 20 30 EEEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423587 676890882 /nfs/dbraw/zinc/89/08/82/676890882.db2.gz BXIUNCWCKUBPCF-TXEJJXNPSA-N 2 2 349.232 2.093 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339135 678568782 /nfs/dbraw/zinc/56/87/82/678568782.db2.gz LOJKVTLZTNPZDB-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339135 678568783 /nfs/dbraw/zinc/56/87/83/678568783.db2.gz LOJKVTLZTNPZDB-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972339135 678568786 /nfs/dbraw/zinc/56/87/86/678568786.db2.gz LOJKVTLZTNPZDB-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972339135 678568789 /nfs/dbraw/zinc/56/87/89/678568789.db2.gz LOJKVTLZTNPZDB-RHSMWYFYSA-N 2 2 345.890 2.484 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024488082 679968267 /nfs/dbraw/zinc/96/82/67/679968267.db2.gz VHEBAXOBLDJQPF-MSOLQXFVSA-N 2 2 345.512 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024488082 679968287 /nfs/dbraw/zinc/96/82/87/679968287.db2.gz VHEBAXOBLDJQPF-MSOLQXFVSA-N 2 2 345.512 2.316 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024488082 679968272 /nfs/dbraw/zinc/96/82/72/679968272.db2.gz VHEBAXOBLDJQPF-MSOLQXFVSA-N 2 2 345.512 2.316 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024488082 679968280 /nfs/dbraw/zinc/96/82/80/679968280.db2.gz VHEBAXOBLDJQPF-MSOLQXFVSA-N 2 2 345.512 2.316 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@H]21 ZINC001026429156 684633646 /nfs/dbraw/zinc/63/36/46/684633646.db2.gz RZEYSLPYHACWQR-USXIJHARSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@H]21 ZINC001026429156 684633647 /nfs/dbraw/zinc/63/36/47/684633647.db2.gz RZEYSLPYHACWQR-USXIJHARSA-N 2 2 345.512 2.119 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990811861 693891121 /nfs/dbraw/zinc/89/11/21/693891121.db2.gz BDVDSNBKBOIZKL-XLIONFOSSA-N 2 2 342.487 2.451 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990811861 693891128 /nfs/dbraw/zinc/89/11/28/693891128.db2.gz BDVDSNBKBOIZKL-XLIONFOSSA-N 2 2 342.487 2.451 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC000990812666 693895498 /nfs/dbraw/zinc/89/54/98/693895498.db2.gz DQWLYDFVPCYHPP-ZHALLVOQSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[NH+]1CC[C@]2(NC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC000990812666 693895502 /nfs/dbraw/zinc/89/55/02/693895502.db2.gz DQWLYDFVPCYHPP-ZHALLVOQSA-N 2 2 343.475 2.089 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC000990812666 693895505 /nfs/dbraw/zinc/89/55/05/693895505.db2.gz DQWLYDFVPCYHPP-ZHALLVOQSA-N 2 2 343.475 2.089 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977214926 692378091 /nfs/dbraw/zinc/37/80/91/692378091.db2.gz HFHRJABWZHZXPC-OAHLLOKOSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977214926 692378095 /nfs/dbraw/zinc/37/80/95/692378095.db2.gz HFHRJABWZHZXPC-OAHLLOKOSA-N 2 2 327.900 2.297 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001088408705 1186817875 /nfs/dbraw/zinc/81/78/75/1186817875.db2.gz GWHOVIKNBSAHFT-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168314336 1188287056 /nfs/dbraw/zinc/28/70/56/1188287056.db2.gz FBBZEPZEBWFSMO-DAWZGUTISA-N 2 2 329.444 2.105 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(CC)CC)C1 ZINC001034250758 1195990160 /nfs/dbraw/zinc/99/01/60/1195990160.db2.gz WNERLBPJFYJJCN-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(CC)CC)C1 ZINC001034250758 1195990162 /nfs/dbraw/zinc/99/01/62/1195990162.db2.gz WNERLBPJFYJJCN-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034250758 1195990166 /nfs/dbraw/zinc/99/01/66/1195990166.db2.gz WNERLBPJFYJJCN-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034250758 1195990168 /nfs/dbraw/zinc/99/01/68/1195990168.db2.gz WNERLBPJFYJJCN-MOPGFXCFSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC001014778349 1224335846 /nfs/dbraw/zinc/33/58/46/1224335846.db2.gz DPBZJZJXQDFSQO-ROUUACIJSA-N 2 2 345.512 2.153 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001014778349 1224335856 /nfs/dbraw/zinc/33/58/56/1224335856.db2.gz DPBZJZJXQDFSQO-ROUUACIJSA-N 2 2 345.512 2.153 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC001014778349 1224335864 /nfs/dbraw/zinc/33/58/64/1224335864.db2.gz DPBZJZJXQDFSQO-ROUUACIJSA-N 2 2 345.512 2.153 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC001014778349 1224335872 /nfs/dbraw/zinc/33/58/72/1224335872.db2.gz DPBZJZJXQDFSQO-ROUUACIJSA-N 2 2 345.512 2.153 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527759 1196332013 /nfs/dbraw/zinc/33/20/13/1196332013.db2.gz HJDCVRHGWBZGLJ-IBGZPJMESA-N 2 2 340.471 2.125 20 30 EEEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527759 1196332018 /nfs/dbraw/zinc/33/20/18/1196332018.db2.gz HJDCVRHGWBZGLJ-IBGZPJMESA-N 2 2 340.471 2.125 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543014 1196450262 /nfs/dbraw/zinc/45/02/62/1196450262.db2.gz FAJLQJMTOCPZPG-BXWFABGCSA-N 2 2 330.476 2.383 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543014 1196450263 /nfs/dbraw/zinc/45/02/63/1196450263.db2.gz FAJLQJMTOCPZPG-BXWFABGCSA-N 2 2 330.476 2.383 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001034682920 1196539713 /nfs/dbraw/zinc/53/97/13/1196539713.db2.gz MVYMZJCGBCSDRZ-RBSFLKMASA-N 2 2 336.867 2.215 20 30 EEEDLP C[NH+](C)CCCNC(=S)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814845331 1199763708 /nfs/dbraw/zinc/76/37/08/1199763708.db2.gz KAGRXLALIVJQQA-GFCCVEGCSA-N 2 2 331.489 2.109 20 30 EEEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823545 1200072110 /nfs/dbraw/zinc/07/21/10/1200072110.db2.gz IDAWYOZVOKXXIU-CRAIPNDOSA-N 2 2 338.455 2.354 20 30 EEEDLP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCC[N@H+]3C)n[nH]1)C2 ZINC001095442328 1205758448 /nfs/dbraw/zinc/75/84/48/1205758448.db2.gz VTYVVBQJAVJCSO-BODMPHMZSA-N 2 2 343.475 2.088 20 30 EEEDLP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCC[N@@H+]3C)n[nH]1)C2 ZINC001095442328 1205758450 /nfs/dbraw/zinc/75/84/50/1205758450.db2.gz VTYVVBQJAVJCSO-BODMPHMZSA-N 2 2 343.475 2.088 20 30 EEEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001095442328 1205758452 /nfs/dbraw/zinc/75/84/52/1205758452.db2.gz VTYVVBQJAVJCSO-BODMPHMZSA-N 2 2 343.475 2.088 20 30 EEEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc([C@@H]3CCC[NH+]3C)n[nH]1)C2 ZINC001095442328 1205758453 /nfs/dbraw/zinc/75/84/53/1205758453.db2.gz VTYVVBQJAVJCSO-BODMPHMZSA-N 2 2 343.475 2.088 20 30 EEEDLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001276287878 1205868515 /nfs/dbraw/zinc/86/85/15/1205868515.db2.gz TUQYULRPWPGUND-UHFFFAOYSA-N 2 2 348.441 2.296 20 30 EEEDLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001276287878 1205868517 /nfs/dbraw/zinc/86/85/17/1205868517.db2.gz TUQYULRPWPGUND-UHFFFAOYSA-N 2 2 348.441 2.296 20 30 EEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001095647043 1205901964 /nfs/dbraw/zinc/90/19/64/1205901964.db2.gz BKUKUWKAGLRFNE-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001095647043 1205901967 /nfs/dbraw/zinc/90/19/67/1205901967.db2.gz BKUKUWKAGLRFNE-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001095647043 1205901968 /nfs/dbraw/zinc/90/19/68/1205901968.db2.gz BKUKUWKAGLRFNE-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001095647043 1205901970 /nfs/dbraw/zinc/90/19/70/1205901970.db2.gz BKUKUWKAGLRFNE-KNCCTNLNSA-N 2 2 328.460 2.121 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267659 1208517870 /nfs/dbraw/zinc/51/78/70/1208517870.db2.gz DDSPEOOMKWPIOA-WERVVEIQSA-N 2 2 339.483 2.208 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267659 1208517872 /nfs/dbraw/zinc/51/78/72/1208517872.db2.gz DDSPEOOMKWPIOA-WERVVEIQSA-N 2 2 339.483 2.208 20 30 EEEDLP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+]1CCCC1 ZINC001015498007 1225333677 /nfs/dbraw/zinc/33/36/77/1225333677.db2.gz IAJXLVLDMLAFSU-GOSISDBHSA-N 2 2 340.471 2.123 20 30 EEEDLP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+]1CCCC1 ZINC001015498007 1225333683 /nfs/dbraw/zinc/33/36/83/1225333683.db2.gz IAJXLVLDMLAFSU-GOSISDBHSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960276991 1216466669 /nfs/dbraw/zinc/46/66/69/1216466669.db2.gz ZGSUPYGFXRPMLP-QZTJIDSGSA-N 2 2 338.455 2.484 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961152700 1217059516 /nfs/dbraw/zinc/05/95/16/1217059516.db2.gz DEGPJTRSAPXJNX-DLBZAZTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961152700 1217059519 /nfs/dbraw/zinc/05/95/19/1217059519.db2.gz DEGPJTRSAPXJNX-DLBZAZTESA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000961200248 1217085201 /nfs/dbraw/zinc/08/52/01/1217085201.db2.gz VCICMFXVCRITIJ-IAGOWNOFSA-N 2 2 343.471 2.379 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000961200248 1217085204 /nfs/dbraw/zinc/08/52/04/1217085204.db2.gz VCICMFXVCRITIJ-IAGOWNOFSA-N 2 2 343.471 2.379 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961256962 1217113560 /nfs/dbraw/zinc/11/35/60/1217113560.db2.gz YRYDLOJTUMWWTL-LSDHHAIUSA-N 2 2 336.867 2.265 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961256962 1217113562 /nfs/dbraw/zinc/11/35/62/1217113562.db2.gz YRYDLOJTUMWWTL-LSDHHAIUSA-N 2 2 336.867 2.265 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262054 1217116393 /nfs/dbraw/zinc/11/63/93/1217116393.db2.gz OLCVVBSKWVJXCA-QZTJIDSGSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262054 1217116395 /nfs/dbraw/zinc/11/63/95/1217116395.db2.gz OLCVVBSKWVJXCA-QZTJIDSGSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000961386460 1217169673 /nfs/dbraw/zinc/16/96/73/1217169673.db2.gz LPBZYFBYYVBDKX-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP 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C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590190 806729632 /nfs/dbraw/zinc/72/96/32/806729632.db2.gz IMLLMWHYYDDHNB-HKUYNNGSSA-N 2 2 330.476 2.458 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001032837116 799440631 /nfs/dbraw/zinc/44/06/31/799440631.db2.gz ADQHRPYOSSSFND-FCEWJHQRSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001032837116 799440634 /nfs/dbraw/zinc/44/06/34/799440634.db2.gz ADQHRPYOSSSFND-FCEWJHQRSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001032837116 799440641 /nfs/dbraw/zinc/44/06/41/799440641.db2.gz ADQHRPYOSSSFND-FCEWJHQRSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001032837116 799440645 /nfs/dbraw/zinc/44/06/45/799440645.db2.gz ADQHRPYOSSSFND-FCEWJHQRSA-N 2 2 343.446 2.175 20 30 EEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1COCC[N@H+]1CCCC 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YPPMHPRCTBAPKW-KSZLIROESA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001108434824 803566897 /nfs/dbraw/zinc/56/68/97/803566897.db2.gz XYKYIGXLFKIXNP-LJQANCHMSA-N 2 2 349.475 2.128 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001108434824 803566902 /nfs/dbraw/zinc/56/69/02/803566902.db2.gz XYKYIGXLFKIXNP-LJQANCHMSA-N 2 2 349.475 2.128 20 30 EEEDLP CC(C)C[C@@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001130001143 811068514 /nfs/dbraw/zinc/06/85/14/811068514.db2.gz DPIVLHKSGYXHFC-SFHVURJKSA-N 2 2 339.443 2.248 20 30 EEEDLP CN(C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC[NH+](C)C ZINC001440260691 1093363805 /nfs/dbraw/zinc/36/38/05/1093363805.db2.gz YWSJXUDSFRVRBL-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)CCC[NH+](C)C ZINC001440260691 1093363813 /nfs/dbraw/zinc/36/38/13/1093363813.db2.gz YWSJXUDSFRVRBL-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP C[N@H+](CCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000115596326 152033662 /nfs/dbraw/zinc/03/36/62/152033662.db2.gz ZMESYJIXNACKPD-SFHVURJKSA-N 2 2 328.460 2.329 20 30 EEEDLP C[N@@H+](CCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000115596326 152033666 /nfs/dbraw/zinc/03/36/66/152033666.db2.gz ZMESYJIXNACKPD-SFHVURJKSA-N 2 2 328.460 2.329 20 30 EEEDLP N#Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601367 164348290 /nfs/dbraw/zinc/34/82/90/164348290.db2.gz XEMMDEJXNOWPGN-UYAOXDASSA-N 2 2 348.450 2.196 20 30 EEEDLP N#Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000360601367 164348291 /nfs/dbraw/zinc/34/82/91/164348291.db2.gz XEMMDEJXNOWPGN-UYAOXDASSA-N 2 2 348.450 2.196 20 30 EEEDLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ncc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000567479481 319384000 /nfs/dbraw/zinc/38/40/00/319384000.db2.gz MZFVPNXQYARDJU-IYBDPMFKSA-N 2 2 343.475 2.060 20 30 EEEDLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ncc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000567479481 319384002 /nfs/dbraw/zinc/38/40/02/319384002.db2.gz MZFVPNXQYARDJU-IYBDPMFKSA-N 2 2 343.475 2.060 20 30 EEEDLP C#Cc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077201344 462950855 /nfs/dbraw/zinc/95/08/55/462950855.db2.gz OVFZQOOANOKURQ-UHFFFAOYSA-N 2 2 328.460 2.158 20 30 EEEDLP C#Cc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077201344 462950860 /nfs/dbraw/zinc/95/08/60/462950860.db2.gz OVFZQOOANOKURQ-UHFFFAOYSA-N 2 2 328.460 2.158 20 30 EEEDLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)c(F)c1 ZINC000579227663 468328251 /nfs/dbraw/zinc/32/82/51/468328251.db2.gz XOPPVXYBORJDAU-LLVKDONJSA-N 2 2 328.395 2.133 20 30 EEEDLP N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000156357334 463012501 /nfs/dbraw/zinc/01/25/01/463012501.db2.gz RKTJQOZGNGMTSP-LJQANCHMSA-N 2 2 343.471 2.371 20 30 EEEDLP N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000156357334 463012506 /nfs/dbraw/zinc/01/25/06/463012506.db2.gz RKTJQOZGNGMTSP-LJQANCHMSA-N 2 2 343.471 2.371 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(C#N)CCCCC1 ZINC000156390042 463016822 /nfs/dbraw/zinc/01/68/22/463016822.db2.gz VTJWNBCQPLPFMZ-QGZVFWFLSA-N 2 2 342.443 2.220 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(C#N)CCCCC1 ZINC000156390042 463016823 /nfs/dbraw/zinc/01/68/23/463016823.db2.gz VTJWNBCQPLPFMZ-QGZVFWFLSA-N 2 2 342.443 2.220 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156442528 463024966 /nfs/dbraw/zinc/02/49/66/463024966.db2.gz GSYCFOKTUMYPRZ-ULQDDVLXSA-N 2 2 343.475 2.497 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156442528 463024967 /nfs/dbraw/zinc/02/49/67/463024967.db2.gz GSYCFOKTUMYPRZ-ULQDDVLXSA-N 2 2 343.475 2.497 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000159614367 463295037 /nfs/dbraw/zinc/29/50/37/463295037.db2.gz BLORZYYNSAKEAX-IAGOWNOFSA-N 2 2 330.476 2.260 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289301840 464073594 /nfs/dbraw/zinc/07/35/94/464073594.db2.gz ADGILCIDCSJKLF-HNNXBMFYSA-N 2 2 344.459 2.241 20 30 EEEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079266 464280592 /nfs/dbraw/zinc/28/05/92/464280592.db2.gz ICUZPZJDXXEOSX-IRXDYDNUSA-N 3 2 347.507 2.195 20 30 EEEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079266 464280599 /nfs/dbraw/zinc/28/05/99/464280599.db2.gz ICUZPZJDXXEOSX-IRXDYDNUSA-N 3 2 347.507 2.195 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000294112878 464433591 /nfs/dbraw/zinc/43/35/91/464433591.db2.gz JXOAQCBLQFXLRL-GOSISDBHSA-N 2 2 336.439 2.303 20 30 EEEDLP COc1cc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)ccc1C#N ZINC000281756957 464574611 /nfs/dbraw/zinc/57/46/11/464574611.db2.gz RJTPTOMXJRNGNT-UHFFFAOYSA-N 2 2 337.427 2.326 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]c4ncccc34)CC2)CC1 ZINC000329424549 465329992 /nfs/dbraw/zinc/32/99/92/465329992.db2.gz IEEOFCHTRCHEIJ-UHFFFAOYSA-N 2 2 341.459 2.426 20 30 EEEDLP Cn1c[nH+]cc1CCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000593971777 468448820 /nfs/dbraw/zinc/44/88/20/468448820.db2.gz GMNLEXJYVBJPHH-IBGZPJMESA-N 2 2 341.434 2.374 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C#N)c1C ZINC000330756275 465792501 /nfs/dbraw/zinc/79/25/01/465792501.db2.gz ZEAQNPGSHAGIHF-CYBMUJFWSA-N 2 2 332.448 2.369 20 30 EEEDLP CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597212700 468481526 /nfs/dbraw/zinc/48/15/26/468481526.db2.gz AEIVBMDQYRNULX-GOSISDBHSA-N 2 2 346.519 2.477 20 30 EEEDLP CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597212700 468481529 /nfs/dbraw/zinc/48/15/29/468481529.db2.gz AEIVBMDQYRNULX-GOSISDBHSA-N 2 2 346.519 2.477 20 30 EEEDLP C=CCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000424300991 467024592 /nfs/dbraw/zinc/02/45/92/467024592.db2.gz YYJJWYAGDACNEJ-SJLPKXTDSA-N 2 2 325.460 2.464 20 30 EEEDLP C=CCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000424300991 467024598 /nfs/dbraw/zinc/02/45/98/467024598.db2.gz YYJJWYAGDACNEJ-SJLPKXTDSA-N 2 2 325.460 2.464 20 30 EEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000366070678 467048806 /nfs/dbraw/zinc/04/88/06/467048806.db2.gz AZFLXBYTIXFZCJ-IBGZPJMESA-N 2 2 330.451 2.298 20 30 EEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000366070678 467048808 /nfs/dbraw/zinc/04/88/08/467048808.db2.gz AZFLXBYTIXFZCJ-IBGZPJMESA-N 2 2 330.451 2.298 20 30 EEEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C)C[NH3+])cc1OC ZINC000414926581 467451123 /nfs/dbraw/zinc/45/11/23/467451123.db2.gz JXHPJIVWAPTMAR-SNVBAGLBSA-N 2 2 329.238 2.459 20 30 EEEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000575060415 468135508 /nfs/dbraw/zinc/13/55/08/468135508.db2.gz DEDOLTNFFDRCBY-UHFFFAOYSA-N 2 2 349.442 2.422 20 30 EEEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000575060415 468135512 /nfs/dbraw/zinc/13/55/12/468135512.db2.gz DEDOLTNFFDRCBY-UHFFFAOYSA-N 2 2 349.442 2.422 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000566129954 468144470 /nfs/dbraw/zinc/14/44/70/468144470.db2.gz WMWPMTWEXRDSEG-HZPDHXFCSA-N 2 2 327.428 2.025 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000566129954 468144478 /nfs/dbraw/zinc/14/44/78/468144478.db2.gz WMWPMTWEXRDSEG-HZPDHXFCSA-N 2 2 327.428 2.025 20 30 EEEDLP O[C@@H](C[NH2+]CC#Cc1cccc(F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000572993618 469037882 /nfs/dbraw/zinc/03/78/82/469037882.db2.gz JHINXLFQCAIDMC-NRFANRHFSA-N 2 2 338.426 2.186 20 30 EEEDLP O[C@@H](C[NH2+]CC#Cc1cccc(F)c1)C[N@H+]1CCc2ccccc2C1 ZINC000572993618 469037890 /nfs/dbraw/zinc/03/78/90/469037890.db2.gz JHINXLFQCAIDMC-NRFANRHFSA-N 2 2 338.426 2.186 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000610995257 469133552 /nfs/dbraw/zinc/13/35/52/469133552.db2.gz 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2.254 20 30 EEEDLP C[N@H+](C[C@@H](O)C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000574392845 469272813 /nfs/dbraw/zinc/27/28/13/469272813.db2.gz IOEZHTAGOWMOSX-INIZCTEOSA-N 2 2 326.362 2.102 20 30 EEEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000574392845 469272819 /nfs/dbraw/zinc/27/28/19/469272819.db2.gz IOEZHTAGOWMOSX-INIZCTEOSA-N 2 2 326.362 2.102 20 30 EEEDLP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000602527250 469350569 /nfs/dbraw/zinc/35/05/69/469350569.db2.gz JCBJAOYOMNSKTG-KRWDZBQOSA-N 2 2 331.460 2.427 20 30 EEEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609157608 469898783 /nfs/dbraw/zinc/89/87/83/469898783.db2.gz JLVRHCGPERJFCE-CQSZACIVSA-N 2 2 327.388 2.240 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609157608 469898785 /nfs/dbraw/zinc/89/87/85/469898785.db2.gz JLVRHCGPERJFCE-CQSZACIVSA-N 2 2 327.388 2.240 20 30 EEEDLP C[NH+]=C(NCc1nc(C)cs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160123770 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HEQIFABNGBPKCI-OAGGEKHMSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039459653 676897146 /nfs/dbraw/zinc/89/71/46/676897146.db2.gz HEQIFABNGBPKCI-OAGGEKHMSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511139 680007411 /nfs/dbraw/zinc/00/74/11/680007411.db2.gz CAGRJMUOJAOXHY-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511139 680007416 /nfs/dbraw/zinc/00/74/16/680007416.db2.gz CAGRJMUOJAOXHY-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982605344 681782940 /nfs/dbraw/zinc/78/29/40/681782940.db2.gz KWIRRKAFDWXCLV-QRQLOZEOSA-N 2 2 328.460 2.028 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000992777195 683434256 /nfs/dbraw/zinc/43/42/56/683434256.db2.gz ZSNUHPXMWDZVOI-MISYRCLQSA-N 2 2 348.450 2.336 20 30 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C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363558 1200795873 /nfs/dbraw/zinc/79/58/73/1200795873.db2.gz KJERIVLRAJJPLA-HOCLYGCPSA-N 2 2 338.883 2.490 20 30 EEEDLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH+]c1C ZINC000886663384 1202541442 /nfs/dbraw/zinc/54/14/42/1202541442.db2.gz ZJYUNIBQEDHMLG-AWEZNQCLSA-N 2 2 329.448 2.157 20 30 EEEDLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)n3)(C1)CCC2 ZINC001275605216 1205440382 /nfs/dbraw/zinc/44/03/82/1205440382.db2.gz GNDFFESOEUXOMF-RBUKOAKNSA-N 2 2 327.476 2.039 20 30 EEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447786 1205767782 /nfs/dbraw/zinc/76/77/82/1205767782.db2.gz NCNXXIMAJLXYLG-SQNIBIBYSA-N 2 2 342.487 2.450 20 30 EEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447786 1205767783 /nfs/dbraw/zinc/76/77/83/1205767783.db2.gz NCNXXIMAJLXYLG-SQNIBIBYSA-N 2 2 342.487 2.450 20 30 EEEDLP 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C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035236784 784156602 /nfs/dbraw/zinc/15/66/02/784156602.db2.gz MCWHAXIONVVEIC-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035236784 784156605 /nfs/dbraw/zinc/15/66/05/784156605.db2.gz MCWHAXIONVVEIC-MRXNPFEDSA-N 2 2 330.476 2.479 20 30 EEEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680436 784216705 /nfs/dbraw/zinc/21/67/05/784216705.db2.gz VZOQGQCMHNPTIC-HZPDHXFCSA-N 2 2 326.444 2.081 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CC2 ZINC001035742325 785058401 /nfs/dbraw/zinc/05/84/01/785058401.db2.gz RLLPLNXPZAEFDM-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CC2 ZINC001035742325 785058404 /nfs/dbraw/zinc/05/84/04/785058404.db2.gz RLLPLNXPZAEFDM-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000819011620 785363314 /nfs/dbraw/zinc/36/33/14/785363314.db2.gz SXCHERSRAVHZHA-LJQANCHMSA-N 2 2 339.439 2.171 20 30 EEEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000819011620 785363324 /nfs/dbraw/zinc/36/33/24/785363324.db2.gz SXCHERSRAVHZHA-LJQANCHMSA-N 2 2 339.439 2.171 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995970895 785901366 /nfs/dbraw/zinc/90/13/66/785901366.db2.gz HRMUOUGYWXYDCW-UKRRQHHQSA-N 2 2 336.867 2.025 20 30 EEEDLP C=CCCCCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127771993 787214360 /nfs/dbraw/zinc/21/43/60/787214360.db2.gz BIEPTIQSZGCUFH-QGZVFWFLSA-N 2 2 333.480 2.242 20 30 EEEDLP C=CCCCCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127771993 787214369 /nfs/dbraw/zinc/21/43/69/787214369.db2.gz BIEPTIQSZGCUFH-QGZVFWFLSA-N 2 2 333.480 2.242 20 30 EEEDLP CN(C)/C=[NH+]/c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc1C#N ZINC001168374689 787275468 /nfs/dbraw/zinc/27/54/68/787275468.db2.gz QKFZPXNSPLWOLI-RBYWHNRPSA-N 2 2 327.432 2.055 20 30 EEEDLP CN(C)/C=[NH+]/c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc1C#N ZINC001168374689 787275476 /nfs/dbraw/zinc/27/54/76/787275476.db2.gz QKFZPXNSPLWOLI-RBYWHNRPSA-N 2 2 327.432 2.055 20 30 EEEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297029 789588978 /nfs/dbraw/zinc/58/89/78/789588978.db2.gz FSWWJLBDGDEDLM-ZBFHGGJFSA-N 2 2 328.460 2.070 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001107954364 789804350 /nfs/dbraw/zinc/80/43/50/789804350.db2.gz PDWGNFHDTOPKEW-APWZRJJASA-N 2 2 348.491 2.180 20 30 EEEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001107954364 789804355 /nfs/dbraw/zinc/80/43/55/789804355.db2.gz PDWGNFHDTOPKEW-APWZRJJASA-N 2 2 348.491 2.180 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945547 793042601 /nfs/dbraw/zinc/04/26/01/793042601.db2.gz DOKKQOHUTQWGDP-IRXDYDNUSA-N 2 2 328.460 2.170 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091890045 793354078 /nfs/dbraw/zinc/35/40/78/793354078.db2.gz CHFXGEGDJLNIFE-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091890045 793354086 /nfs/dbraw/zinc/35/40/86/793354086.db2.gz CHFXGEGDJLNIFE-NQIIRXRSSA-N 2 2 348.450 2.290 20 30 EEEDLP N#Cc1ccccc1C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992532418 794530692 /nfs/dbraw/zinc/53/06/92/794530692.db2.gz LYLBHIXFAJLQSW-UYAOXDASSA-N 2 2 349.438 2.068 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992532418 794530699 /nfs/dbraw/zinc/53/06/99/794530699.db2.gz LYLBHIXFAJLQSW-UYAOXDASSA-N 2 2 349.438 2.068 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870484 795593479 /nfs/dbraw/zinc/59/34/79/795593479.db2.gz WBIRVZHHILAJHN-KGLIPLIRSA-N 2 2 336.867 2.363 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870484 795593483 /nfs/dbraw/zinc/59/34/83/795593483.db2.gz WBIRVZHHILAJHN-KGLIPLIRSA-N 2 2 336.867 2.363 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993339062 796426164 /nfs/dbraw/zinc/42/61/64/796426164.db2.gz QVFGDNRAHIKZIQ-WBVHZDCISA-N 2 2 330.476 2.307 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076780 796863914 /nfs/dbraw/zinc/86/39/14/796863914.db2.gz LPGXUGQYRWKZML-HZZCBIDNSA-N 2 2 343.471 2.398 20 30 EEEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076780 796863916 /nfs/dbraw/zinc/86/39/16/796863916.db2.gz LPGXUGQYRWKZML-HZZCBIDNSA-N 2 2 343.471 2.398 20 30 EEEDLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977552 797179509 /nfs/dbraw/zinc/17/95/09/797179509.db2.gz CQCKMYDAAXDZJB-HOTGVXAUSA-N 2 2 336.480 2.304 20 30 EEEDLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977552 797179511 /nfs/dbraw/zinc/17/95/11/797179511.db2.gz CQCKMYDAAXDZJB-HOTGVXAUSA-N 2 2 336.480 2.304 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975905 798588502 /nfs/dbraw/zinc/58/85/02/798588502.db2.gz YOIKOQODHAWMRN-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975905 798588505 /nfs/dbraw/zinc/58/85/05/798588505.db2.gz YOIKOQODHAWMRN-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975905 798588509 /nfs/dbraw/zinc/58/85/09/798588509.db2.gz YOIKOQODHAWMRN-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975905 798588511 /nfs/dbraw/zinc/58/85/11/798588511.db2.gz YOIKOQODHAWMRN-GJYPPUQNSA-N 2 2 342.487 2.322 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC001032837211 799440755 /nfs/dbraw/zinc/44/07/55/799440755.db2.gz KNBIZPNZZGPOJH-GMNCBBECSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001032837211 799440744 /nfs/dbraw/zinc/44/07/44/799440744.db2.gz KNBIZPNZZGPOJH-GMNCBBECSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001032837211 799440750 /nfs/dbraw/zinc/44/07/50/799440750.db2.gz KNBIZPNZZGPOJH-GMNCBBECSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC001032837211 799440763 /nfs/dbraw/zinc/44/07/63/799440763.db2.gz KNBIZPNZZGPOJH-GMNCBBECSA-N 2 2 331.504 2.101 20 30 EEEDLP C=CC[NH2+]CCCCCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001178536416 799513388 /nfs/dbraw/zinc/51/33/88/799513388.db2.gz VLXHTOVDXRPYCI-QGZVFWFLSA-N 2 2 333.480 2.242 20 30 EEEDLP C=CC[NH2+]CCCCCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001178536416 799513391 /nfs/dbraw/zinc/51/33/91/799513391.db2.gz VLXHTOVDXRPYCI-QGZVFWFLSA-N 2 2 333.480 2.242 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085922511 801667318 /nfs/dbraw/zinc/66/73/18/801667318.db2.gz FMMAHHOCNUVDEH-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004456878 802117238 /nfs/dbraw/zinc/11/72/38/802117238.db2.gz IDULNOSJZOICQE-MOPGFXCFSA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004456878 802117244 /nfs/dbraw/zinc/11/72/44/802117244.db2.gz IDULNOSJZOICQE-MOPGFXCFSA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004456878 802117250 /nfs/dbraw/zinc/11/72/50/802117250.db2.gz IDULNOSJZOICQE-MOPGFXCFSA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004456878 802117256 /nfs/dbraw/zinc/11/72/56/802117256.db2.gz IDULNOSJZOICQE-MOPGFXCFSA-N 2 2 346.519 2.191 20 30 EEEDLP CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004618992 802496439 /nfs/dbraw/zinc/49/64/39/802496439.db2.gz IWIJJDJCXYFDAV-RTBURBONSA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004618992 802496447 /nfs/dbraw/zinc/49/64/47/802496447.db2.gz IWIJJDJCXYFDAV-RTBURBONSA-N 2 2 346.519 2.333 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001131653159 813083535 /nfs/dbraw/zinc/08/35/35/813083535.db2.gz QDWYOTWZFFGGHS-QFBILLFUSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001131653159 813083545 /nfs/dbraw/zinc/08/35/45/813083545.db2.gz QDWYOTWZFFGGHS-QFBILLFUSA-N 2 2 346.475 2.000 20 30 EEEDLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)n1cc[nH+]c1 ZINC001441413216 1094993649 /nfs/dbraw/zinc/99/36/49/1094993649.db2.gz CSVORNBSFZSHSL-MGPQQGTHSA-N 2 2 343.456 2.204 20 30 EEEDLP C[C@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181876176 234362861 /nfs/dbraw/zinc/36/28/61/234362861.db2.gz DSHNQPKGKDMKCL-UZLBHIALSA-N 2 2 343.471 2.306 20 30 EEEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000329621790 465390504 /nfs/dbraw/zinc/39/05/04/465390504.db2.gz FQIOKVNUQDZAJH-UHFFFAOYSA-N 2 2 345.443 2.301 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CCC3(CC2)OCCO3)cc1 ZINC000276823024 463769354 /nfs/dbraw/zinc/76/93/54/463769354.db2.gz GIGNNSCVYMEBKV-UHFFFAOYSA-N 2 2 347.459 2.318 20 30 EEEDLP Cc1nnsc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000291820233 464159988 /nfs/dbraw/zinc/15/99/88/464159988.db2.gz ZFMJPEQOQAJYLC-UHFFFAOYSA-N 2 2 327.457 2.472 20 30 EEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000264068170 464278031 /nfs/dbraw/zinc/27/80/31/464278031.db2.gz BZVPPYSDEMCPJI-HOTGVXAUSA-N 3 2 335.496 2.051 20 30 EEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccco1 ZINC000264068170 464278033 /nfs/dbraw/zinc/27/80/33/464278033.db2.gz BZVPPYSDEMCPJI-HOTGVXAUSA-N 3 2 335.496 2.051 20 30 EEEDLP C=CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000292991642 464380558 /nfs/dbraw/zinc/38/05/58/464380558.db2.gz GAQPWWHPHXDWPZ-LJQANCHMSA-N 2 2 344.503 2.118 20 30 EEEDLP C=CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000292991642 464380564 /nfs/dbraw/zinc/38/05/64/464380564.db2.gz GAQPWWHPHXDWPZ-LJQANCHMSA-N 2 2 344.503 2.118 20 30 EEEDLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182806727 464731895 /nfs/dbraw/zinc/73/18/95/464731895.db2.gz YDVVIMIRJDIRLP-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182806727 464731903 /nfs/dbraw/zinc/73/19/03/464731903.db2.gz YDVVIMIRJDIRLP-IEBWSBKVSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182806727 464731909 /nfs/dbraw/zinc/73/19/09/464731909.db2.gz YDVVIMIRJDIRLP-IEBWSBKVSA-N 2 2 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/nfs/dbraw/zinc/05/09/60/1258050960.db2.gz DTBDIMNGCGETJJ-RDJZCZTQSA-N 2 2 330.476 2.218 20 30 EEEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294669 1282983432 /nfs/dbraw/zinc/98/34/32/1282983432.db2.gz MCEYVQVCWFJZMJ-MSOLQXFVSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294669 1282983433 /nfs/dbraw/zinc/98/34/33/1282983433.db2.gz MCEYVQVCWFJZMJ-MSOLQXFVSA-N 2 2 330.476 2.183 20 30 EEEDLP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001071090183 1286771287 /nfs/dbraw/zinc/77/12/87/1286771287.db2.gz DBUCJGZOKQHCHP-WDYCEAGBSA-N 2 2 346.475 2.006 20 30 EEEDLP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001235000027 1305078790 /nfs/dbraw/zinc/07/87/90/1305078790.db2.gz AJWOSGSEEUTAFQ-XLIONFOSSA-N 2 2 338.476 2.162 20 30 EEEDLP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001235000027 1305078796 /nfs/dbraw/zinc/07/87/96/1305078796.db2.gz AJWOSGSEEUTAFQ-XLIONFOSSA-N 2 2 338.476 2.162 20 30 EEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000852122592 1291999940 /nfs/dbraw/zinc/99/99/40/1291999940.db2.gz NUVLSFVVGNWVAL-UHFFFAOYSA-N 2 2 345.487 2.400 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211294020 1295806468 /nfs/dbraw/zinc/80/64/68/1295806468.db2.gz WFBCBTQTDAHUFH-ZWKOTPCHSA-N 2 2 330.476 2.231 20 30 EEEDLP C=CCC[N@@H+](CCO)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001098437487 1298610262 /nfs/dbraw/zinc/61/02/62/1298610262.db2.gz ZLXLRFDYCQTXAN-UHFFFAOYSA-N 2 2 345.487 2.482 20 30 EEEDLP C=CCC[N@H+](CCO)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001098437487 1298610268 /nfs/dbraw/zinc/61/02/68/1298610268.db2.gz ZLXLRFDYCQTXAN-UHFFFAOYSA-N 2 2 345.487 2.482 20 30 EEEDLP N#Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc(C2C[NH2+]C2)c1 ZINC001240360611 1309311727 /nfs/dbraw/zinc/31/17/27/1309311727.db2.gz JAQLKNZHWOQIRL-FQEVSTJZSA-N 3 2 332.451 2.445 20 30 EEEDLP N#Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc(C2C[NH2+]C2)c1 ZINC001240360611 1309311734 /nfs/dbraw/zinc/31/17/34/1309311734.db2.gz JAQLKNZHWOQIRL-FQEVSTJZSA-N 3 2 332.451 2.445 20 30 EEEDLP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001252490885 1317615956 /nfs/dbraw/zinc/61/59/56/1317615956.db2.gz KVPVZGISYGQVNM-LJQANCHMSA-N 2 2 336.451 2.252 20 30 EEEDLP C=CCC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001252594834 1317641389 /nfs/dbraw/zinc/64/13/89/1317641389.db2.gz BXGJBEMPROVGBJ-SFHVURJKSA-N 2 2 338.492 2.053 20 30 EEEDLP Cc1ccc([C@@H](C#N)c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)nn2)cc1 ZINC001157915159 1318927635 /nfs/dbraw/zinc/92/76/35/1318927635.db2.gz RXIHDJOFXZEERW-MRXNPFEDSA-N 2 2 349.442 2.035 20 30 EEEDLP N#Cc1c(Cl)cc(Cl)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160521051 1320182625 /nfs/dbraw/zinc/18/26/25/1320182625.db2.gz VAIDIGMOWYDZPU-AWEZNQCLSA-N 2 2 326.231 2.095 20 30 EEEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160951762 1320330059 /nfs/dbraw/zinc/33/00/59/1320330059.db2.gz OQAIENRMTTXREP-XPGWFJOJSA-N 2 2 348.450 2.337 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC=C(CCNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001161989460 1320709334 /nfs/dbraw/zinc/70/93/34/1320709334.db2.gz GLCCXXJPUYCMCN-UHFFFAOYSA-N 2 2 349.438 2.093 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC=C(CCNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001161989460 1320709336 /nfs/dbraw/zinc/70/93/36/1320709336.db2.gz GLCCXXJPUYCMCN-UHFFFAOYSA-N 2 2 349.438 2.093 20 30 EEEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001210115179 1325164162 /nfs/dbraw/zinc/16/41/62/1325164162.db2.gz AMZQDAUBQURQJH-MRXNPFEDSA-N 2 2 326.444 2.342 20 30 EEEDLP C=CC1(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[NH2+]C1 ZINC001574881835 1343708834 /nfs/dbraw/zinc/70/88/34/1343708834.db2.gz SCMKOCKFMOCQRS-UHFFFAOYSA-N 2 2 326.400 2.066 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170689 1369746002 /nfs/dbraw/zinc/74/60/02/1369746002.db2.gz ADCWMTCMOYQBIH-XLIONFOSSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170689 1369746011 /nfs/dbraw/zinc/74/60/11/1369746011.db2.gz ADCWMTCMOYQBIH-XLIONFOSSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170689 1369746019 /nfs/dbraw/zinc/74/60/19/1369746019.db2.gz ADCWMTCMOYQBIH-XLIONFOSSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@H]2CCOC2)C3)cc1C#N ZINC001275170689 1369746024 /nfs/dbraw/zinc/74/60/24/1369746024.db2.gz ADCWMTCMOYQBIH-XLIONFOSSA-N 2 2 342.487 2.221 20 30 EEEDLP C[C@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000799489655 1371659219 /nfs/dbraw/zinc/65/92/19/1371659219.db2.gz YICRBOMKGOBIIM-SFHVURJKSA-N 2 2 344.503 2.196 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001122440401 1372001753 /nfs/dbraw/zinc/00/17/53/1372001753.db2.gz BXWNZVRQKNHDAG-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001122440401 1372001669 /nfs/dbraw/zinc/00/16/69/1372001669.db2.gz BXWNZVRQKNHDAG-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001122440401 1372001841 /nfs/dbraw/zinc/00/18/41/1372001841.db2.gz BXWNZVRQKNHDAG-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001122440401 1372001917 /nfs/dbraw/zinc/00/19/17/1372001917.db2.gz BXWNZVRQKNHDAG-HNNXBMFYSA-N 2 2 332.496 2.151 20 30 EEEDLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752894741 1406523924 /nfs/dbraw/zinc/52/39/24/1406523924.db2.gz MJVOKEUATMHLAI-OAHLLOKOSA-N 2 2 344.846 2.073 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001403103866 1398375984 /nfs/dbraw/zinc/37/59/84/1398375984.db2.gz SEKCKASCBQJZNY-UHFFFAOYSA-N 2 2 326.872 2.179 20 30 EEEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001755075969 1407087102 /nfs/dbraw/zinc/08/71/02/1407087102.db2.gz QKNIKNNHFHLYGA-IBGZPJMESA-N 2 2 338.455 2.082 20 30 EEEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001755075969 1407087106 /nfs/dbraw/zinc/08/71/06/1407087106.db2.gz QKNIKNNHFHLYGA-IBGZPJMESA-N 2 2 338.455 2.082 20 30 EEEDLP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755085574 1407099441 /nfs/dbraw/zinc/09/94/41/1407099441.db2.gz JRMVVXVUOUFBBO-LJQANCHMSA-N 2 2 342.443 2.086 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087829735 782331855 /nfs/dbraw/zinc/33/18/55/782331855.db2.gz STBQTCKCWVRVRB-DLBZAZTESA-N 2 2 346.500 2.185 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087829735 782331862 /nfs/dbraw/zinc/33/18/62/782331862.db2.gz STBQTCKCWVRVRB-DLBZAZTESA-N 2 2 346.500 2.185 20 30 EEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367100 759822274 /nfs/dbraw/zinc/82/22/74/759822274.db2.gz HINSMZOFYZDOOB-KURKYZTESA-N 2 2 344.503 2.486 20 30 EEEDLP C=CCC[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448471 761366917 /nfs/dbraw/zinc/36/69/17/761366917.db2.gz OIILAPPUDKNRHQ-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448471 761366929 /nfs/dbraw/zinc/36/69/29/761366929.db2.gz OIILAPPUDKNRHQ-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001024448471 761366942 /nfs/dbraw/zinc/36/69/42/761366942.db2.gz OIILAPPUDKNRHQ-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001024448471 761366953 /nfs/dbraw/zinc/36/69/53/761366953.db2.gz OIILAPPUDKNRHQ-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695706 774450975 /nfs/dbraw/zinc/45/09/75/774450975.db2.gz NLUQPZCAAWNAIV-BRWVUGGUSA-N 2 2 342.487 2.154 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695706 774450980 /nfs/dbraw/zinc/45/09/80/774450980.db2.gz NLUQPZCAAWNAIV-BRWVUGGUSA-N 2 2 342.487 2.154 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000981417874 777352320 /nfs/dbraw/zinc/35/23/20/777352320.db2.gz NLMUVGUFIFLUGQ-DLBZAZTESA-N 2 2 337.427 2.041 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@]2(C)C1 ZINC000982318497 779701762 /nfs/dbraw/zinc/70/17/62/779701762.db2.gz GKSGPVQZROOAFB-FFZOFVMBSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@]2(C)C1 ZINC000982318497 779701766 /nfs/dbraw/zinc/70/17/66/779701766.db2.gz GKSGPVQZROOAFB-FFZOFVMBSA-N 2 2 342.487 2.192 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001136031998 785013635 /nfs/dbraw/zinc/01/36/35/785013635.db2.gz UNZLPDRWCQRACQ-KBPBESRZSA-N 2 2 339.443 2.205 20 30 EEEDLP C=CCc1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc(OC)c1OC ZINC000817908225 785061942 /nfs/dbraw/zinc/06/19/42/785061942.db2.gz BXUDUXXCGKRAAQ-WMLDXEAASA-N 2 2 334.460 2.289 20 30 EEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000817918205 785070095 /nfs/dbraw/zinc/07/00/95/785070095.db2.gz JXSHLEWAZWTNPB-NEWSRXKRSA-N 2 2 329.444 2.224 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](c1cccnc1)[NH+](C)C)CC2 ZINC001035858274 785299382 /nfs/dbraw/zinc/29/93/82/785299382.db2.gz RLPDAPSNMONBJH-SFHVURJKSA-N 2 2 342.487 2.185 20 30 EEEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1(C)C ZINC000996413993 786368920 /nfs/dbraw/zinc/36/89/20/786368920.db2.gz IGCNXVNSOXXMCC-INIZCTEOSA-N 2 2 326.444 2.198 20 30 EEEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146561661 791342999 /nfs/dbraw/zinc/34/29/99/791342999.db2.gz JCJGOPOEIQXEDY-LSDHHAIUSA-N 2 2 333.501 2.002 20 30 EEEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146561661 791343009 /nfs/dbraw/zinc/34/30/09/791343009.db2.gz JCJGOPOEIQXEDY-LSDHHAIUSA-N 2 2 333.501 2.002 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998265371 792385273 /nfs/dbraw/zinc/38/52/73/792385273.db2.gz HJWRHNZMBZPXFE-UONOGXRCSA-N 2 2 344.381 2.287 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998265371 792385279 /nfs/dbraw/zinc/38/52/79/792385279.db2.gz HJWRHNZMBZPXFE-UONOGXRCSA-N 2 2 344.381 2.287 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717309 794610774 /nfs/dbraw/zinc/61/07/74/794610774.db2.gz TWKJUUQAMVHFFK-ROUUACIJSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717309 794610775 /nfs/dbraw/zinc/61/07/75/794610775.db2.gz TWKJUUQAMVHFFK-ROUUACIJSA-N 2 2 336.439 2.202 20 30 EEEDLP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001093366479 795094606 /nfs/dbraw/zinc/09/46/06/795094606.db2.gz FZYLWFXOKSNJFE-LJQANCHMSA-N 2 2 340.471 2.069 20 30 EEEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001093384214 795127977 /nfs/dbraw/zinc/12/79/77/795127977.db2.gz VLKVOATUQPIJLY-IBGZPJMESA-N 2 2 342.487 2.242 20 30 EEEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001093384214 795127981 /nfs/dbraw/zinc/12/79/81/795127981.db2.gz VLKVOATUQPIJLY-IBGZPJMESA-N 2 2 342.487 2.242 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106312775 795386654 /nfs/dbraw/zinc/38/66/54/795386654.db2.gz OJTRZIPMNUZPCN-IUODEOHRSA-N 2 2 337.851 2.069 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993826444 797057001 /nfs/dbraw/zinc/05/70/01/797057001.db2.gz QCQAFYWIWKHAET-GOEBONIOSA-N 2 2 332.448 2.039 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175704187 798217135 /nfs/dbraw/zinc/21/71/35/798217135.db2.gz RMFFRERCIVNTEX-QGZVFWFLSA-N 2 2 340.471 2.473 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001032827151 798467402 /nfs/dbraw/zinc/46/74/02/798467402.db2.gz KNBIZPNZZGPOJH-BTRQGYIVSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001032827151 798467403 /nfs/dbraw/zinc/46/74/03/798467403.db2.gz KNBIZPNZZGPOJH-BTRQGYIVSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC001032827151 798467404 /nfs/dbraw/zinc/46/74/04/798467404.db2.gz KNBIZPNZZGPOJH-BTRQGYIVSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC001032827151 798467405 /nfs/dbraw/zinc/46/74/05/798467405.db2.gz KNBIZPNZZGPOJH-BTRQGYIVSA-N 2 2 331.504 2.101 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001179977403 800195300 /nfs/dbraw/zinc/19/53/00/800195300.db2.gz PARWBEIOPWINHC-UHFFFAOYSA-N 2 2 339.443 2.170 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001183528125 801626299 /nfs/dbraw/zinc/62/62/99/801626299.db2.gz ICBYCNYGOLWCTP-YVWKXTFCSA-N 2 2 344.503 2.335 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184850157 802198822 /nfs/dbraw/zinc/19/88/22/802198822.db2.gz BWEYTPUYZPYNHZ-ZFWWWQNUSA-N 2 2 338.883 2.179 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001112868279 807500755 /nfs/dbraw/zinc/50/07/55/807500755.db2.gz LBUWOCMMUKKGKX-CRAIPNDOSA-N 2 2 345.491 2.289 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001112868279 807500758 /nfs/dbraw/zinc/50/07/58/807500758.db2.gz LBUWOCMMUKKGKX-CRAIPNDOSA-N 2 2 345.491 2.289 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC1 ZINC000804450148 810875594 /nfs/dbraw/zinc/87/55/94/810875594.db2.gz HOFSNDPNWAUIBY-SNVBAGLBSA-N 2 2 325.869 2.249 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC1 ZINC000804450148 810875602 /nfs/dbraw/zinc/87/56/02/810875602.db2.gz HOFSNDPNWAUIBY-SNVBAGLBSA-N 2 2 325.869 2.249 20 30 EEEDLP CC(C)C[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001130001345 811070971 /nfs/dbraw/zinc/07/09/71/811070971.db2.gz LQVOCLDEESTRFA-MRXNPFEDSA-N 2 2 345.472 2.309 20 30 EEEDLP N#Cc1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(F)c1 ZINC001130266085 811378975 /nfs/dbraw/zinc/37/89/75/811378975.db2.gz KSHMWUKCCQDJHS-UHFFFAOYSA-N 2 2 337.358 2.093 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC001438846479 1091483938 /nfs/dbraw/zinc/48/39/38/1091483938.db2.gz YJDLBVGFAJREED-SFHVURJKSA-N 2 2 339.443 2.063 20 30 EEEDLP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001502339658 1113634958 /nfs/dbraw/zinc/63/49/58/1113634958.db2.gz LOFGFRLIDZCDFC-UHFFFAOYSA-N 2 2 339.443 2.194 20 30 EEEDLP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001502339658 1113634960 /nfs/dbraw/zinc/63/49/60/1113634960.db2.gz LOFGFRLIDZCDFC-UHFFFAOYSA-N 2 2 339.443 2.194 20 30 EEEDLP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001502339658 1113634964 /nfs/dbraw/zinc/63/49/64/1113634964.db2.gz LOFGFRLIDZCDFC-UHFFFAOYSA-N 2 2 339.443 2.194 20 30 EEEDLP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001502339658 1113634966 /nfs/dbraw/zinc/63/49/66/1113634966.db2.gz LOFGFRLIDZCDFC-UHFFFAOYSA-N 2 2 339.443 2.194 20 30 EEEDLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000329286108 539770509 /nfs/dbraw/zinc/77/05/09/539770509.db2.gz GSJLJYRLJLSZTL-AWEZNQCLSA-N 2 2 332.448 2.290 20 30 EEEDLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000329286108 539770514 /nfs/dbraw/zinc/77/05/14/539770514.db2.gz GSJLJYRLJLSZTL-AWEZNQCLSA-N 2 2 332.448 2.290 20 30 EEEDLP Cn1cc[nH+]c1CN(C(=O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275799176 256381013 /nfs/dbraw/zinc/38/10/13/256381013.db2.gz UPXYGMRCPUDWCA-KRWDZBQOSA-N 2 2 349.438 2.076 20 30 EEEDLP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000354969543 163036851 /nfs/dbraw/zinc/03/68/51/163036851.db2.gz QWLXFLAPUPOSFR-VQTJNVASSA-N 2 2 343.471 2.306 20 30 EEEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000159225849 225174753 /nfs/dbraw/zinc/17/47/53/225174753.db2.gz VRDRTRUIAVILJO-UHFFFAOYSA-N 2 2 329.404 2.234 20 30 EEEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000159225849 225174757 /nfs/dbraw/zinc/17/47/57/225174757.db2.gz VRDRTRUIAVILJO-UHFFFAOYSA-N 2 2 329.404 2.234 20 30 EEEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353406882 289020851 /nfs/dbraw/zinc/02/08/51/289020851.db2.gz BDHGFBNFBWYDOF-RTBURBONSA-N 2 2 340.471 2.078 20 30 EEEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353406882 289020854 /nfs/dbraw/zinc/02/08/54/289020854.db2.gz BDHGFBNFBWYDOF-RTBURBONSA-N 2 2 340.471 2.078 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cn2ccccc2c1C#N ZINC000374421957 289333731 /nfs/dbraw/zinc/33/37/31/289333731.db2.gz QBBUUYKPPRWXEC-UXPWSPDFSA-N 2 2 338.455 2.494 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1C#N ZINC000374421957 289333733 /nfs/dbraw/zinc/33/37/33/289333733.db2.gz QBBUUYKPPRWXEC-UXPWSPDFSA-N 2 2 338.455 2.494 20 30 EEEDLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328916343 465167203 /nfs/dbraw/zinc/16/72/03/465167203.db2.gz AJWSPLHZKHDIPC-OIISXLGYSA-N 2 2 346.475 2.170 20 30 EEEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000491180362 468315214 /nfs/dbraw/zinc/31/52/14/468315214.db2.gz LHDMPJBYMYTZGF-UHFFFAOYSA-N 2 2 327.472 2.111 20 30 EEEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000491180362 468315222 /nfs/dbraw/zinc/31/52/22/468315222.db2.gz LHDMPJBYMYTZGF-UHFFFAOYSA-N 2 2 327.472 2.111 20 30 EEEDLP COc1ccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)cc1OC ZINC000170905275 463738686 /nfs/dbraw/zinc/73/86/86/463738686.db2.gz MISPIXAQPKUUKV-UHFFFAOYSA-N 2 2 329.404 2.328 20 30 EEEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)S1 ZINC000177212218 464958987 /nfs/dbraw/zinc/95/89/87/464958987.db2.gz CYSHCVVYWOQDLK-CQSZACIVSA-N 2 2 330.457 2.046 20 30 EEEDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000346152946 465940930 /nfs/dbraw/zinc/94/09/30/465940930.db2.gz FJPMRUWPHLKMLH-AWEZNQCLSA-N 2 2 346.450 2.291 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378246412 467240931 /nfs/dbraw/zinc/24/09/31/467240931.db2.gz HHCXFQZACKGMAG-ZIFCJYIRSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378246412 467240934 /nfs/dbraw/zinc/24/09/34/467240934.db2.gz HHCXFQZACKGMAG-ZIFCJYIRSA-N 2 2 329.444 2.250 20 30 EEEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000489400150 468131493 /nfs/dbraw/zinc/13/14/93/468131493.db2.gz JJVDUZWUGLVOAM-QGZVFWFLSA-N 2 2 333.501 2.433 20 30 EEEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000489400150 468131496 /nfs/dbraw/zinc/13/14/96/468131496.db2.gz JJVDUZWUGLVOAM-QGZVFWFLSA-N 2 2 333.501 2.433 20 30 EEEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000489466571 468139315 /nfs/dbraw/zinc/13/93/15/468139315.db2.gz YHUGODHAQUTVRZ-IBGZPJMESA-N 2 2 327.472 2.371 20 30 EEEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000489466571 468139318 /nfs/dbraw/zinc/13/93/18/468139318.db2.gz YHUGODHAQUTVRZ-IBGZPJMESA-N 2 2 327.472 2.371 20 30 EEEDLP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H](C#N)CCC#N)c2cccs2)CC1 ZINC000551683524 468246454 /nfs/dbraw/zinc/24/64/54/468246454.db2.gz NDIKYRBUSNCWCE-CVEARBPZSA-N 2 2 331.489 2.070 20 30 EEEDLP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c2ccccc2)CC1 ZINC000570156066 468596835 /nfs/dbraw/zinc/59/68/35/468596835.db2.gz WHDAUMLZJXIWFC-PKOBYXMFSA-N 2 2 325.460 2.008 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@]3(O)CCCOC3)CC2)cc1 ZINC000593687757 469095330 /nfs/dbraw/zinc/09/53/30/469095330.db2.gz MSPLHLYDOSVXHA-HXUWFJFHSA-N 2 2 343.471 2.044 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000969716897 675173384 /nfs/dbraw/zinc/17/33/84/675173384.db2.gz KUCWPVUIXUYJDI-KSSFIOAISA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000969716897 675173385 /nfs/dbraw/zinc/17/33/85/675173385.db2.gz KUCWPVUIXUYJDI-KSSFIOAISA-N 2 2 345.491 2.193 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632022 676286678 /nfs/dbraw/zinc/28/66/78/676286678.db2.gz FDVORSBRKSKZIP-IRXDYDNUSA-N 2 2 336.439 2.284 20 30 EEEDLP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632022 676286680 /nfs/dbraw/zinc/28/66/80/676286680.db2.gz FDVORSBRKSKZIP-IRXDYDNUSA-N 2 2 336.439 2.284 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449335 679314896 /nfs/dbraw/zinc/31/48/96/679314896.db2.gz NPDKBQMRGFOPRQ-HUUCEWRRSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449335 679314898 /nfs/dbraw/zinc/31/48/98/679314898.db2.gz NPDKBQMRGFOPRQ-HUUCEWRRSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742718 685385801 /nfs/dbraw/zinc/38/58/01/685385801.db2.gz NXPKTNOWNNTMMP-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742718 685385807 /nfs/dbraw/zinc/38/58/07/685385807.db2.gz NXPKTNOWNNTMMP-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906898 682460954 /nfs/dbraw/zinc/46/09/54/682460954.db2.gz YFQZRKHFMLIAOW-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906898 682460957 /nfs/dbraw/zinc/46/09/57/682460957.db2.gz YFQZRKHFMLIAOW-INIZCTEOSA-N 2 2 339.443 2.285 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000992705934 683285008 /nfs/dbraw/zinc/28/50/08/683285008.db2.gz CWEAQFYONNEIBL-FVQBIDKESA-N 2 2 336.867 2.312 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000992705934 683285012 /nfs/dbraw/zinc/28/50/12/683285012.db2.gz CWEAQFYONNEIBL-FVQBIDKESA-N 2 2 336.867 2.312 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985516423 687085033 /nfs/dbraw/zinc/08/50/33/687085033.db2.gz OPWULIGRQXHAEG-OAHLLOKOSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985516423 687085036 /nfs/dbraw/zinc/08/50/36/687085036.db2.gz OPWULIGRQXHAEG-OAHLLOKOSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985516423 687085039 /nfs/dbraw/zinc/08/50/39/687085039.db2.gz OPWULIGRQXHAEG-OAHLLOKOSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985516423 687085041 /nfs/dbraw/zinc/08/50/41/687085041.db2.gz OPWULIGRQXHAEG-OAHLLOKOSA-N 2 2 330.476 2.322 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105552039 1188167809 /nfs/dbraw/zinc/16/78/09/1188167809.db2.gz UWRSOHUGOZCSHG-QGZVFWFLSA-N 2 2 328.460 2.047 20 30 EEEDLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033777254 1195261306 /nfs/dbraw/zinc/26/13/06/1195261306.db2.gz UDHSSRRMXPGMJZ-VQTJNVASSA-N 2 2 339.483 2.055 20 30 EEEDLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033777254 1195261308 /nfs/dbraw/zinc/26/13/08/1195261308.db2.gz UDHSSRRMXPGMJZ-VQTJNVASSA-N 2 2 339.483 2.055 20 30 EEEDLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033777254 1195261314 /nfs/dbraw/zinc/26/13/14/1195261314.db2.gz UDHSSRRMXPGMJZ-VQTJNVASSA-N 2 2 339.483 2.055 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876807 1195414394 /nfs/dbraw/zinc/41/43/94/1195414394.db2.gz XUHVAWREZXEJMM-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876807 1195414395 /nfs/dbraw/zinc/41/43/95/1195414395.db2.gz XUHVAWREZXEJMM-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279225 1196040265 /nfs/dbraw/zinc/04/02/65/1196040265.db2.gz QASMWHINSUGSJC-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279225 1196040267 /nfs/dbraw/zinc/04/02/67/1196040267.db2.gz QASMWHINSUGSJC-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001114480038 1197737278 /nfs/dbraw/zinc/73/72/78/1197737278.db2.gz FOHGCNYUWNARPI-GDAAHCPNSA-N 2 2 342.487 2.238 20 30 EEEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001114480038 1197737286 /nfs/dbraw/zinc/73/72/86/1197737286.db2.gz FOHGCNYUWNARPI-GDAAHCPNSA-N 2 2 342.487 2.238 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001132376153 1199636944 /nfs/dbraw/zinc/63/69/44/1199636944.db2.gz KEAMLPWOACHGRK-QFBILLFUSA-N 2 2 342.487 2.369 20 30 EEEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001132376153 1199636946 /nfs/dbraw/zinc/63/69/46/1199636946.db2.gz KEAMLPWOACHGRK-QFBILLFUSA-N 2 2 342.487 2.369 20 30 EEEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/c3ccccc3C#N)c2)CC1 ZINC000870667479 1200802064 /nfs/dbraw/zinc/80/20/64/1200802064.db2.gz MIAHHESKONODIK-VOTSOKGWSA-N 2 2 347.422 2.357 20 30 EEEDLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](CCCCC#N)CC2)C1=O ZINC001274043834 1204343309 /nfs/dbraw/zinc/34/33/09/1204343309.db2.gz VLAYOJOCSGATAC-LJQANCHMSA-N 2 2 343.475 2.319 20 30 EEEDLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](CCCCC#N)CC2)C1=O ZINC001274043834 1204343313 /nfs/dbraw/zinc/34/33/13/1204343313.db2.gz VLAYOJOCSGATAC-LJQANCHMSA-N 2 2 343.475 2.319 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000931838666 1207472723 /nfs/dbraw/zinc/47/27/23/1207472723.db2.gz VTADHFQZAZFFLD-UHFFFAOYSA-N 2 2 347.488 2.300 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000947766856 1208706962 /nfs/dbraw/zinc/70/69/62/1208706962.db2.gz KNRLUWDWFWAGPA-MSOLQXFVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000947766856 1208706964 /nfs/dbraw/zinc/70/69/64/1208706964.db2.gz KNRLUWDWFWAGPA-MSOLQXFVSA-N 2 2 349.519 2.177 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000948850385 1209415817 /nfs/dbraw/zinc/41/58/17/1209415817.db2.gz IVZFTDKEQHSBDI-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000948850385 1209415820 /nfs/dbraw/zinc/41/58/20/1209415820.db2.gz IVZFTDKEQHSBDI-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)CC1 ZINC000957568773 1215218973 /nfs/dbraw/zinc/21/89/73/1215218973.db2.gz PMWSHPYPDPDPOZ-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961152705 1217059407 /nfs/dbraw/zinc/05/94/07/1217059407.db2.gz DEGPJTRSAPXJNX-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961152705 1217059410 /nfs/dbraw/zinc/05/94/10/1217059410.db2.gz DEGPJTRSAPXJNX-IRXDYDNUSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262851 1217116687 /nfs/dbraw/zinc/11/66/87/1217116687.db2.gz QNXBATGIYYKYEF-DLBZAZTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262851 1217116688 /nfs/dbraw/zinc/11/66/88/1217116688.db2.gz QNXBATGIYYKYEF-DLBZAZTESA-N 2 2 330.476 2.099 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961431075 1217187229 /nfs/dbraw/zinc/18/72/29/1217187229.db2.gz ICRKTVIYOJSGTB-QGZVFWFLSA-N 2 2 330.476 2.397 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961431075 1217187232 /nfs/dbraw/zinc/18/72/32/1217187232.db2.gz ICRKTVIYOJSGTB-QGZVFWFLSA-N 2 2 330.476 2.397 20 30 EEEDLP C#CC[NH2+]C1CCC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000964075309 1218227587 /nfs/dbraw/zinc/22/75/87/1218227587.db2.gz NYAUFLBNZQLWIS-UHFFFAOYSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969024068 1221748480 /nfs/dbraw/zinc/74/84/80/1221748480.db2.gz YAAOZFAMTCBGTG-JKSUJKDBSA-N 2 2 328.460 2.214 20 30 EEEDLP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969024068 1221748485 /nfs/dbraw/zinc/74/84/85/1221748485.db2.gz YAAOZFAMTCBGTG-JKSUJKDBSA-N 2 2 328.460 2.214 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001008533593 1222911423 /nfs/dbraw/zinc/91/14/23/1222911423.db2.gz SUSIGMLZVRPJBZ-QUCCMNQESA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001008533593 1222911428 /nfs/dbraw/zinc/91/14/28/1222911428.db2.gz SUSIGMLZVRPJBZ-QUCCMNQESA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008533593 1222911432 /nfs/dbraw/zinc/91/14/32/1222911432.db2.gz SUSIGMLZVRPJBZ-QUCCMNQESA-N 2 2 339.483 2.103 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008533593 1222911434 /nfs/dbraw/zinc/91/14/34/1222911434.db2.gz SUSIGMLZVRPJBZ-QUCCMNQESA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039438684 1230610468 /nfs/dbraw/zinc/61/04/68/1230610468.db2.gz GTZYOQRRAFNGHT-YYIAUSFCSA-N 2 2 328.460 2.165 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039438684 1230610472 /nfs/dbraw/zinc/61/04/72/1230610472.db2.gz GTZYOQRRAFNGHT-YYIAUSFCSA-N 2 2 328.460 2.165 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040291880 1231155053 /nfs/dbraw/zinc/15/50/53/1231155053.db2.gz IGPOKXYWLYQJCZ-HXUWFJFHSA-N 2 2 336.439 2.286 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040291880 1231155056 /nfs/dbraw/zinc/15/50/56/1231155056.db2.gz IGPOKXYWLYQJCZ-HXUWFJFHSA-N 2 2 336.439 2.286 20 30 EEEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040444654 1231237319 /nfs/dbraw/zinc/23/73/19/1231237319.db2.gz UYHCQBXKRLZNSD-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040444654 1231237320 /nfs/dbraw/zinc/23/73/20/1231237320.db2.gz UYHCQBXKRLZNSD-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040444654 1231237321 /nfs/dbraw/zinc/23/73/21/1231237321.db2.gz UYHCQBXKRLZNSD-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040444654 1231237323 /nfs/dbraw/zinc/23/73/23/1231237323.db2.gz UYHCQBXKRLZNSD-APWZRJJASA-N 2 2 330.476 2.479 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)CNc3cccc[nH+]3)CC2)cc1 ZINC000900045482 1233988841 /nfs/dbraw/zinc/98/88/41/1233988841.db2.gz NKZOKLDGDSPARO-UHFFFAOYSA-N 2 2 349.438 2.100 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CNc3cccc[nH+]3)CC2)cc1 ZINC000900045482 1233988845 /nfs/dbraw/zinc/98/88/45/1233988845.db2.gz NKZOKLDGDSPARO-UHFFFAOYSA-N 2 2 349.438 2.100 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943388 1234202756 /nfs/dbraw/zinc/20/27/56/1234202756.db2.gz DZAAEWVRARMUCI-LJQANCHMSA-N 2 2 328.460 2.070 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943388 1234202760 /nfs/dbraw/zinc/20/27/60/1234202760.db2.gz DZAAEWVRARMUCI-LJQANCHMSA-N 2 2 328.460 2.070 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943388 1234202762 /nfs/dbraw/zinc/20/27/62/1234202762.db2.gz DZAAEWVRARMUCI-LJQANCHMSA-N 2 2 328.460 2.070 20 30 EEEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943388 1234202765 /nfs/dbraw/zinc/20/27/65/1234202765.db2.gz DZAAEWVRARMUCI-LJQANCHMSA-N 2 2 328.460 2.070 20 30 EEEDLP C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC001050607705 1243942911 /nfs/dbraw/zinc/94/29/11/1243942911.db2.gz QZAPGLSOFGQCQF-UHFFFAOYSA-N 2 2 348.450 2.434 20 30 EEEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001054034830 1247186751 /nfs/dbraw/zinc/18/67/51/1247186751.db2.gz AKBZTFGAINFVGF-RBUKOAKNSA-N 2 2 327.472 2.200 20 30 EEEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001054034830 1247186761 /nfs/dbraw/zinc/18/67/61/1247186761.db2.gz AKBZTFGAINFVGF-RBUKOAKNSA-N 2 2 327.472 2.200 20 30 EEEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054034830 1247186763 /nfs/dbraw/zinc/18/67/63/1247186763.db2.gz AKBZTFGAINFVGF-RBUKOAKNSA-N 2 2 327.472 2.200 20 30 EEEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054034830 1247186768 /nfs/dbraw/zinc/18/67/68/1247186768.db2.gz AKBZTFGAINFVGF-RBUKOAKNSA-N 2 2 327.472 2.200 20 30 EEEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001054042685 1247206597 /nfs/dbraw/zinc/20/65/97/1247206597.db2.gz FVMZJUCDPRQWDY-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001054042685 1247206607 /nfs/dbraw/zinc/20/66/07/1247206607.db2.gz FVMZJUCDPRQWDY-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001054042685 1247206616 /nfs/dbraw/zinc/20/66/16/1247206616.db2.gz FVMZJUCDPRQWDY-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001054042685 1247206629 /nfs/dbraw/zinc/20/66/29/1247206629.db2.gz FVMZJUCDPRQWDY-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195432 1247682453 /nfs/dbraw/zinc/68/24/53/1247682453.db2.gz LTCPJLYWARDSLU-JXFKEZNVSA-N 2 2 340.471 2.167 20 30 EEEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195432 1247682465 /nfs/dbraw/zinc/68/24/65/1247682465.db2.gz LTCPJLYWARDSLU-JXFKEZNVSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(C)C[NH2+]C1CC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001100755948 1259219164 /nfs/dbraw/zinc/21/91/64/1259219164.db2.gz SXGCXJZNTOSLNG-UHFFFAOYSA-N 2 2 326.444 2.246 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331740 1284002119 /nfs/dbraw/zinc/00/21/19/1284002119.db2.gz CYKVENVRPBDZLS-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331740 1284002126 /nfs/dbraw/zinc/00/21/26/1284002126.db2.gz CYKVENVRPBDZLS-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 ZINC001198018764 1284929286 /nfs/dbraw/zinc/92/92/86/1284929286.db2.gz LIKBPEYZFXIRFV-GOSISDBHSA-N 2 2 342.487 2.446 20 30 EEEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 ZINC001198018764 1284929292 /nfs/dbraw/zinc/92/92/92/1284929292.db2.gz LIKBPEYZFXIRFV-GOSISDBHSA-N 2 2 342.487 2.446 20 30 EEEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699079 1293072184 /nfs/dbraw/zinc/07/21/84/1293072184.db2.gz DGKLXGOCOBBBFY-BDXSIMOUSA-N 2 2 328.460 2.215 20 30 EEEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699079 1293072186 /nfs/dbraw/zinc/07/21/86/1293072186.db2.gz DGKLXGOCOBBBFY-BDXSIMOUSA-N 2 2 328.460 2.215 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293832 1295807277 /nfs/dbraw/zinc/80/72/77/1295807277.db2.gz QWLRWIULBVEYSK-ZWKOTPCHSA-N 2 2 330.476 2.231 20 30 EEEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001104219637 1303657027 /nfs/dbraw/zinc/65/70/27/1303657027.db2.gz BOOSTNLRPJKQLU-HZPDHXFCSA-N 2 2 330.476 2.022 20 30 EEEDLP N#CCC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277937099 1305189427 /nfs/dbraw/zinc/18/94/27/1305189427.db2.gz YQDFXELSCVXGQW-QUCCMNQESA-N 2 2 344.503 2.089 20 30 EEEDLP N#CCC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277937099 1305189433 /nfs/dbraw/zinc/18/94/33/1305189433.db2.gz YQDFXELSCVXGQW-QUCCMNQESA-N 2 2 344.503 2.089 20 30 EEEDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC001237462791 1305943916 /nfs/dbraw/zinc/94/39/16/1305943916.db2.gz KJLSAQXMBGFGOM-UYAOXDASSA-N 2 2 340.471 2.134 20 30 EEEDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC001237462791 1305943917 /nfs/dbraw/zinc/94/39/17/1305943917.db2.gz KJLSAQXMBGFGOM-UYAOXDASSA-N 2 2 340.471 2.134 20 30 EEEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC001237462791 1305943920 /nfs/dbraw/zinc/94/39/20/1305943920.db2.gz KJLSAQXMBGFGOM-UYAOXDASSA-N 2 2 340.471 2.134 20 30 EEEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC001237462791 1305943927 /nfs/dbraw/zinc/94/39/27/1305943927.db2.gz KJLSAQXMBGFGOM-UYAOXDASSA-N 2 2 340.471 2.134 20 30 EEEDLP N#Cc1cc(-c2ccc(C[NH+]3CCOCC3)cn2)cc(C2C[NH2+]C2)c1 ZINC001240337258 1309307739 /nfs/dbraw/zinc/30/77/39/1309307739.db2.gz DJINXUOHFYIDTK-UHFFFAOYSA-N 2 2 334.423 2.139 20 30 EEEDLP N#Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360939 1309313613 /nfs/dbraw/zinc/31/36/13/1309313613.db2.gz QADIPMWYWXKCSW-OAQYLSRUSA-N 3 2 332.451 2.445 20 30 EEEDLP N#Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360939 1309313623 /nfs/dbraw/zinc/31/36/23/1309313623.db2.gz QADIPMWYWXKCSW-OAQYLSRUSA-N 3 2 332.451 2.445 20 30 EEEDLP CC(C)C#CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166332 1314578317 /nfs/dbraw/zinc/57/83/17/1314578317.db2.gz UBANLFZVFCHDJM-RBUKOAKNSA-N 2 2 333.520 2.441 20 30 EEEDLP CC(C)C#CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166332 1314578320 /nfs/dbraw/zinc/57/83/20/1314578320.db2.gz UBANLFZVFCHDJM-RBUKOAKNSA-N 2 2 333.520 2.441 20 30 EEEDLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140545774 1314903021 /nfs/dbraw/zinc/90/30/21/1314903021.db2.gz KHQSTNFWTRMWTH-UHFFFAOYSA-N 2 2 329.492 2.193 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824970 1316386437 /nfs/dbraw/zinc/38/64/37/1316386437.db2.gz PDDSNODUJXWZRG-ROUUACIJSA-N 2 2 348.491 2.225 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824970 1316386440 /nfs/dbraw/zinc/38/64/40/1316386440.db2.gz PDDSNODUJXWZRG-ROUUACIJSA-N 2 2 348.491 2.225 20 30 EEEDLP C#CCCN1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC001256600770 1318798461 /nfs/dbraw/zinc/79/84/61/1318798461.db2.gz FOCMGTFUEHECIA-HXUWFJFHSA-N 2 2 339.483 2.255 20 30 EEEDLP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001160778836 1320265991 /nfs/dbraw/zinc/26/59/91/1320265991.db2.gz QSWFZOYIZQFONI-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001160778836 1320265994 /nfs/dbraw/zinc/26/59/94/1320265994.db2.gz QSWFZOYIZQFONI-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001160778836 1320266000 /nfs/dbraw/zinc/26/60/00/1320266000.db2.gz QSWFZOYIZQFONI-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001160778836 1320266003 /nfs/dbraw/zinc/26/60/03/1320266003.db2.gz QSWFZOYIZQFONI-LJQANCHMSA-N 2 2 349.519 2.202 20 30 EEEDLP C#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(Cc2c[nH+]cn2C)C3=O)cc1 ZINC001276557975 1324331779 /nfs/dbraw/zinc/33/17/79/1324331779.db2.gz JYADFLRQNRLJBR-NRFANRHFSA-N 2 2 348.450 2.169 20 30 EEEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2c[nH+]cn2C)C3=O)cc1 ZINC001276557975 1324331783 /nfs/dbraw/zinc/33/17/83/1324331783.db2.gz JYADFLRQNRLJBR-NRFANRHFSA-N 2 2 348.450 2.169 20 30 EEEDLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001316606867 1324599855 /nfs/dbraw/zinc/59/98/55/1324599855.db2.gz LYPOZTRKKJVVSJ-IBGZPJMESA-N 2 2 345.462 2.052 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001316606867 1324599857 /nfs/dbraw/zinc/59/98/57/1324599857.db2.gz LYPOZTRKKJVVSJ-IBGZPJMESA-N 2 2 345.462 2.052 20 30 EEEDLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001316606867 1324599861 /nfs/dbraw/zinc/59/98/61/1324599861.db2.gz LYPOZTRKKJVVSJ-IBGZPJMESA-N 2 2 345.462 2.052 20 30 EEEDLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001316606867 1324599864 /nfs/dbraw/zinc/59/98/64/1324599864.db2.gz LYPOZTRKKJVVSJ-IBGZPJMESA-N 2 2 345.462 2.052 20 30 EEEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cnsc2)CC3)cc1C#N ZINC001276604199 1324737292 /nfs/dbraw/zinc/73/72/92/1324737292.db2.gz KKGQJRITWARTOK-UHFFFAOYSA-N 2 2 341.484 2.451 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCCO1 ZINC001200510812 1373043003 /nfs/dbraw/zinc/04/30/03/1373043003.db2.gz SQRHUKZYGGIMGS-QGZVFWFLSA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(Cl)C[N@H+](CCC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001377490347 1379290947 /nfs/dbraw/zinc/29/09/47/1379290947.db2.gz RVDNADIYESZDHK-UHFFFAOYSA-N 2 2 347.850 2.462 20 30 EEEDLP C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001377490347 1379290953 /nfs/dbraw/zinc/29/09/53/1379290953.db2.gz RVDNADIYESZDHK-UHFFFAOYSA-N 2 2 347.850 2.462 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)s1 ZINC001380054843 1381029374 /nfs/dbraw/zinc/02/93/74/1381029374.db2.gz JSGBWYCECDNIBQ-OAHLLOKOSA-N 2 2 346.500 2.186 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)s1 ZINC001380054843 1381029379 /nfs/dbraw/zinc/02/93/79/1381029379.db2.gz JSGBWYCECDNIBQ-OAHLLOKOSA-N 2 2 346.500 2.186 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089658417 774052140 /nfs/dbraw/zinc/05/21/40/774052140.db2.gz KKGYVPCLHSSBGU-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089658417 774052145 /nfs/dbraw/zinc/05/21/45/774052145.db2.gz KKGYVPCLHSSBGU-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2F)C1 ZINC001031742519 774205824 /nfs/dbraw/zinc/20/58/24/774205824.db2.gz JAFDFWSFRPDODD-BEFAXECRSA-N 2 2 343.446 2.032 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2F)C1 ZINC001031742519 774205830 /nfs/dbraw/zinc/20/58/30/774205830.db2.gz JAFDFWSFRPDODD-BEFAXECRSA-N 2 2 343.446 2.032 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432710 776151501 /nfs/dbraw/zinc/15/15/01/776151501.db2.gz DHPOORCWGCMYJJ-RTBURBONSA-N 2 2 338.455 2.352 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432710 776151511 /nfs/dbraw/zinc/15/15/11/776151511.db2.gz DHPOORCWGCMYJJ-RTBURBONSA-N 2 2 338.455 2.352 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981419779 777358064 /nfs/dbraw/zinc/35/80/64/777358064.db2.gz XAVMMLBXJITJAN-SJORKVTESA-N 2 2 337.427 2.041 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981456544 777443950 /nfs/dbraw/zinc/44/39/50/777443950.db2.gz CLBGFHUQQPOFOV-QGZVFWFLSA-N 2 2 346.500 2.138 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000981456544 777443955 /nfs/dbraw/zinc/44/39/55/777443955.db2.gz CLBGFHUQQPOFOV-QGZVFWFLSA-N 2 2 346.500 2.138 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981456544 777443958 /nfs/dbraw/zinc/44/39/58/777443958.db2.gz CLBGFHUQQPOFOV-QGZVFWFLSA-N 2 2 346.500 2.138 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981456544 777443967 /nfs/dbraw/zinc/44/39/67/777443967.db2.gz CLBGFHUQQPOFOV-QGZVFWFLSA-N 2 2 346.500 2.138 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981538463 777621578 /nfs/dbraw/zinc/62/15/78/777621578.db2.gz OJZPXUVIDBIIJH-CVEARBPZSA-N 2 2 333.501 2.309 20 30 EEEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981538463 777621583 /nfs/dbraw/zinc/62/15/83/777621583.db2.gz OJZPXUVIDBIIJH-CVEARBPZSA-N 2 2 333.501 2.309 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001088337906 783557284 /nfs/dbraw/zinc/55/72/84/783557284.db2.gz QEWPXDZPSOWBNH-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CC2 ZINC001035200469 784039699 /nfs/dbraw/zinc/03/96/99/784039699.db2.gz BIBBPHRFQBYNBW-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CC2 ZINC001035200469 784039703 /nfs/dbraw/zinc/03/97/03/784039703.db2.gz BIBBPHRFQBYNBW-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CC2 ZINC001035200469 784039708 /nfs/dbraw/zinc/03/97/08/784039708.db2.gz BIBBPHRFQBYNBW-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CC2 ZINC001035200469 784039715 /nfs/dbraw/zinc/03/97/15/784039715.db2.gz BIBBPHRFQBYNBW-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135792056 784439613 /nfs/dbraw/zinc/43/96/13/784439613.db2.gz CVRHESGBPFGOCH-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC001135798344 784461951 /nfs/dbraw/zinc/46/19/51/784461951.db2.gz FFQRVNYZTUMHDP-OLZOCXBDSA-N 2 2 343.406 2.036 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991477178 789033339 /nfs/dbraw/zinc/03/33/39/789033339.db2.gz XGFPAYCMHKKSAH-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991477178 789033341 /nfs/dbraw/zinc/03/33/41/789033341.db2.gz XGFPAYCMHKKSAH-KVSKMBFKSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050372 791885312 /nfs/dbraw/zinc/88/53/12/791885312.db2.gz HCUPWECBYCHCAT-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050372 791885314 /nfs/dbraw/zinc/88/53/14/791885314.db2.gz HCUPWECBYCHCAT-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999726557 794863684 /nfs/dbraw/zinc/86/36/84/794863684.db2.gz ODZRNWVDFPUXKB-CQSZACIVSA-N 2 2 336.867 2.095 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001093542186 795352309 /nfs/dbraw/zinc/35/23/09/795352309.db2.gz NIIAZCXLZWEAER-QGZVFWFLSA-N 2 2 349.519 2.127 20 30 EEEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001093542186 795352316 /nfs/dbraw/zinc/35/23/16/795352316.db2.gz NIIAZCXLZWEAER-QGZVFWFLSA-N 2 2 349.519 2.127 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605043 796656624 /nfs/dbraw/zinc/65/66/24/796656624.db2.gz MFJKIBORWZXUMU-HUUCEWRRSA-N 2 2 338.883 2.463 20 30 EEEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1C#N ZINC001172969045 797175277 /nfs/dbraw/zinc/17/52/77/797175277.db2.gz VHEZLERJJSZKDV-GJZGRUSLSA-N 2 2 333.436 2.154 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994164029 797344867 /nfs/dbraw/zinc/34/48/67/797344867.db2.gz WEONCJJVKCFRQY-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994164029 797344874 /nfs/dbraw/zinc/34/48/74/797344874.db2.gz WEONCJJVKCFRQY-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175476913 798117020 /nfs/dbraw/zinc/11/70/20/798117020.db2.gz BZEQGHYGHRKOQD-OAHLLOKOSA-N 2 2 339.443 2.289 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3cc(C)sc3C)C2)CC1 ZINC001031434713 798401773 /nfs/dbraw/zinc/40/17/73/798401773.db2.gz BREIEOLFVOLNKN-UHFFFAOYSA-N 2 2 345.512 2.011 20 30 EEEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]cn1C ZINC001177469154 798955930 /nfs/dbraw/zinc/95/59/30/798955930.db2.gz XESRATVEWFVXNX-UHFFFAOYSA-N 2 2 344.503 2.375 20 30 EEEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003622630 799901970 /nfs/dbraw/zinc/90/19/70/799901970.db2.gz XERYKXXMAJUVEL-AWEZNQCLSA-N 2 2 336.867 2.087 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182580130 801254409 /nfs/dbraw/zinc/25/44/09/801254409.db2.gz VRZAJBHESBCAOI-ZRGWGRIASA-N 2 2 330.476 2.480 20 30 EEEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001151352016 801713517 /nfs/dbraw/zinc/71/35/17/801713517.db2.gz PEMPSQGVFHKIIH-INIZCTEOSA-N 2 2 348.491 2.152 20 30 EEEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001151352016 801713520 /nfs/dbraw/zinc/71/35/20/801713520.db2.gz PEMPSQGVFHKIIH-INIZCTEOSA-N 2 2 348.491 2.152 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497412 802227567 /nfs/dbraw/zinc/22/75/67/802227567.db2.gz IPRSCQGYHBHGMM-SFHVURJKSA-N 2 2 342.487 2.079 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497412 802227576 /nfs/dbraw/zinc/22/75/76/802227576.db2.gz IPRSCQGYHBHGMM-SFHVURJKSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595419 802447706 /nfs/dbraw/zinc/44/77/06/802447706.db2.gz GYSLDCBRDQOAHP-SFHVURJKSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595419 802447708 /nfs/dbraw/zinc/44/77/08/802447708.db2.gz GYSLDCBRDQOAHP-SFHVURJKSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644530 802574338 /nfs/dbraw/zinc/57/43/38/802574338.db2.gz GEILTJNHOKNXIA-KSZLIROESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644530 802574343 /nfs/dbraw/zinc/57/43/43/802574343.db2.gz GEILTJNHOKNXIA-KSZLIROESA-N 2 2 342.487 2.192 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001086392226 802881308 /nfs/dbraw/zinc/88/13/08/802881308.db2.gz CXXQKJATWKVBHK-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001086392226 802881313 /nfs/dbraw/zinc/88/13/13/802881313.db2.gz CXXQKJATWKVBHK-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP CC(C)C[C@@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001130001175 811069044 /nfs/dbraw/zinc/06/90/44/811069044.db2.gz FLUAWMOPVVZIKO-SFHVURJKSA-N 2 2 339.443 2.248 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863686 1092894435 /nfs/dbraw/zinc/89/44/35/1092894435.db2.gz DBXWAPROWFFYBO-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863686 1092894441 /nfs/dbraw/zinc/89/44/41/1092894441.db2.gz DBXWAPROWFFYBO-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863686 1092894448 /nfs/dbraw/zinc/89/44/48/1092894448.db2.gz DBXWAPROWFFYBO-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001439863686 1092894452 /nfs/dbraw/zinc/89/44/52/1092894452.db2.gz DBXWAPROWFFYBO-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000173791632 530029412 /nfs/dbraw/zinc/02/94/12/530029412.db2.gz BJBUUAWWIZMZSO-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000173791632 530029413 /nfs/dbraw/zinc/02/94/13/530029413.db2.gz BJBUUAWWIZMZSO-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000173791632 530029415 /nfs/dbraw/zinc/02/94/15/530029415.db2.gz BJBUUAWWIZMZSO-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C[NH+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173791632 530029416 /nfs/dbraw/zinc/02/94/16/530029416.db2.gz BJBUUAWWIZMZSO-OAHLLOKOSA-N 2 2 325.416 2.382 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1CC ZINC001087607249 781929548 /nfs/dbraw/zinc/92/95/48/781929548.db2.gz TZOUSQXQAXEKDT-OTWHNJEPSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1CC ZINC001087607249 781929557 /nfs/dbraw/zinc/92/95/57/781929557.db2.gz TZOUSQXQAXEKDT-OTWHNJEPSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1CC ZINC001087607249 781929563 /nfs/dbraw/zinc/92/95/63/781929563.db2.gz TZOUSQXQAXEKDT-OTWHNJEPSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1CC ZINC001087607249 781929572 /nfs/dbraw/zinc/92/95/72/781929572.db2.gz TZOUSQXQAXEKDT-OTWHNJEPSA-N 2 2 331.504 2.243 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629503 781974408 /nfs/dbraw/zinc/97/44/08/781974408.db2.gz SIOPNVHAESAOHP-YESZJQIVSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629503 781974416 /nfs/dbraw/zinc/97/44/16/781974416.db2.gz SIOPNVHAESAOHP-YESZJQIVSA-N 2 2 330.476 2.381 20 30 EEEDLP N#Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C(N)=O)cc1 ZINC000115596595 152032135 /nfs/dbraw/zinc/03/21/35/152032135.db2.gz PWZVVBDHIHQBLD-FQEVSTJZSA-N 2 2 348.450 2.123 20 30 EEEDLP N#Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C(N)=O)cc1 ZINC000115596595 152032141 /nfs/dbraw/zinc/03/21/41/152032141.db2.gz PWZVVBDHIHQBLD-FQEVSTJZSA-N 2 2 348.450 2.123 20 30 EEEDLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](CC)CC ZINC000344103810 161198579 /nfs/dbraw/zinc/19/85/79/161198579.db2.gz HMAJQNSDGBLTHL-LJQANCHMSA-N 2 2 342.487 2.323 20 30 EEEDLP CSCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344305528 161215657 /nfs/dbraw/zinc/21/56/57/161215657.db2.gz VDJDRKAWDAGITN-SFHVURJKSA-N 2 2 333.501 2.226 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346474967 161375444 /nfs/dbraw/zinc/37/54/44/161375444.db2.gz BUNINVJGZCSEQU-RHSMWYFYSA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346474967 161375445 /nfs/dbraw/zinc/37/54/45/161375445.db2.gz BUNINVJGZCSEQU-RHSMWYFYSA-N 2 2 336.395 2.434 20 30 EEEDLP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000369114187 166193367 /nfs/dbraw/zinc/19/33/67/166193367.db2.gz ZVWWZYLFKSWFDK-LPHOPBHVSA-N 2 2 342.487 2.025 20 30 EEEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000297734539 268112141 /nfs/dbraw/zinc/11/21/41/268112141.db2.gz SPONEIVSGRARET-LJQANCHMSA-N 2 2 338.455 2.270 20 30 EEEDLP CCn1nc(C)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000328772108 465124619 /nfs/dbraw/zinc/12/46/19/465124619.db2.gz JNXLDSLGDYEMHM-UHFFFAOYSA-N 2 2 347.507 2.383 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156402880 463019541 /nfs/dbraw/zinc/01/95/41/463019541.db2.gz VEELVFMALQKKHX-KSSFIOAISA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156402880 463019545 /nfs/dbraw/zinc/01/95/45/463019545.db2.gz VEELVFMALQKKHX-KSSFIOAISA-N 2 2 336.395 2.434 20 30 EEEDLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000164045124 463614388 /nfs/dbraw/zinc/61/43/88/463614388.db2.gz HDMDUGSGWKARLX-UHFFFAOYSA-N 2 2 349.438 2.413 20 30 EEEDLP Cc1c(C#N)cccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000178550625 463919342 /nfs/dbraw/zinc/91/93/42/463919342.db2.gz HTAKXWGIGYJZMP-UHFFFAOYSA-N 2 2 329.448 2.014 20 30 EEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261998573 463922028 /nfs/dbraw/zinc/92/20/28/463922028.db2.gz SYVQFCDWDDKEPN-HNNXBMFYSA-N 2 2 327.432 2.351 20 30 EEEDLP COC[C@H]([NH2+]CC#CC[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000283878968 464031709 /nfs/dbraw/zinc/03/17/09/464031709.db2.gz AOXXDGBYLLQSTQ-HOTGVXAUSA-N 2 2 332.400 2.130 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247881275 464711736 /nfs/dbraw/zinc/71/17/36/464711736.db2.gz BTSCCQZWHURWGO-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247881275 464711741 /nfs/dbraw/zinc/71/17/41/464711741.db2.gz BTSCCQZWHURWGO-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247881275 464711747 /nfs/dbraw/zinc/71/17/47/464711747.db2.gz BTSCCQZWHURWGO-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247881275 464711752 /nfs/dbraw/zinc/71/17/52/464711752.db2.gz BTSCCQZWHURWGO-UWWQBHOKSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366772638 465925929 /nfs/dbraw/zinc/92/59/29/465925929.db2.gz KYCMGMFSDQRQIP-KDOFPFPSSA-N 2 2 326.444 2.033 20 30 EEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366772638 465925935 /nfs/dbraw/zinc/92/59/35/465925935.db2.gz KYCMGMFSDQRQIP-KDOFPFPSSA-N 2 2 326.444 2.033 20 30 EEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C#N)oc3C)CC2)CC1 ZINC000591539560 468481214 /nfs/dbraw/zinc/48/12/14/468481214.db2.gz IPZUTUNAQAUQJY-UHFFFAOYSA-N 2 2 344.459 2.092 20 30 EEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C#N)oc3C)CC2)CC1 ZINC000591539560 468481218 /nfs/dbraw/zinc/48/12/18/468481218.db2.gz IPZUTUNAQAUQJY-UHFFFAOYSA-N 2 2 344.459 2.092 20 30 EEEDLP C#CCC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372691968 466541408 /nfs/dbraw/zinc/54/14/08/466541408.db2.gz RYKXCRGOXBKBKN-KRWDZBQOSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CCC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372691968 466541410 /nfs/dbraw/zinc/54/14/10/466541410.db2.gz RYKXCRGOXBKBKN-KRWDZBQOSA-N 2 2 331.504 2.245 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000333556568 466623730 /nfs/dbraw/zinc/62/37/30/466623730.db2.gz NLNJISQBQZVQIZ-DOTOQJQBSA-N 2 2 342.443 2.266 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000333556568 466623734 /nfs/dbraw/zinc/62/37/34/466623734.db2.gz NLNJISQBQZVQIZ-DOTOQJQBSA-N 2 2 342.443 2.266 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369900890 466760747 /nfs/dbraw/zinc/76/07/47/466760747.db2.gz RPECSEYPQMELCJ-INIZCTEOSA-N 2 2 329.448 2.029 20 30 EEEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369900890 466760752 /nfs/dbraw/zinc/76/07/52/466760752.db2.gz RPECSEYPQMELCJ-INIZCTEOSA-N 2 2 329.448 2.029 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334448 467977267 /nfs/dbraw/zinc/97/72/67/467977267.db2.gz VJNWIRZIJHYYQY-MSOLQXFVSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334448 467977268 /nfs/dbraw/zinc/97/72/68/467977268.db2.gz VJNWIRZIJHYYQY-MSOLQXFVSA-N 2 2 346.519 2.381 20 30 EEEDLP CN(c1ncc2c(c1C#N)CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591819861 468526684 /nfs/dbraw/zinc/52/66/84/468526684.db2.gz MZJHHUURMXDYKI-QGZVFWFLSA-N 2 2 339.487 2.047 20 30 EEEDLP CN(c1ncc2c(c1C#N)CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591819861 468526689 /nfs/dbraw/zinc/52/66/89/468526689.db2.gz MZJHHUURMXDYKI-QGZVFWFLSA-N 2 2 339.487 2.047 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc4c(c3C#N)CCC4)C2)CC1 ZINC000591820151 468526841 /nfs/dbraw/zinc/52/68/41/468526841.db2.gz DNWORXLGXHSMBF-OAHLLOKOSA-N 2 2 325.460 2.022 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc4c(c3C#N)CCC4)C2)CC1 ZINC000591820151 468526845 /nfs/dbraw/zinc/52/68/45/468526845.db2.gz DNWORXLGXHSMBF-OAHLLOKOSA-N 2 2 325.460 2.022 20 30 EEEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000571759865 468834724 /nfs/dbraw/zinc/83/47/24/468834724.db2.gz AQVULLKDZIEAOS-HNNXBMFYSA-N 2 2 339.443 2.365 20 30 EEEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718638 469020659 /nfs/dbraw/zinc/02/06/59/469020659.db2.gz PVIWFUGHAZMFOT-SFHVURJKSA-N 2 2 329.444 2.124 20 30 EEEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718638 469020663 /nfs/dbraw/zinc/02/06/63/469020663.db2.gz PVIWFUGHAZMFOT-SFHVURJKSA-N 2 2 329.444 2.124 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000730098553 576714235 /nfs/dbraw/zinc/71/42/35/576714235.db2.gz IRTVAXAQZZSBIK-SFHVURJKSA-N 2 2 343.496 2.272 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000730098553 576714237 /nfs/dbraw/zinc/71/42/37/576714237.db2.gz IRTVAXAQZZSBIK-SFHVURJKSA-N 2 2 343.496 2.272 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000748814006 577967171 /nfs/dbraw/zinc/96/71/71/577967171.db2.gz XQEYBHAVRWBXNH-HXUWFJFHSA-N 2 2 339.483 2.034 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000748814006 577967172 /nfs/dbraw/zinc/96/71/72/577967172.db2.gz XQEYBHAVRWBXNH-HXUWFJFHSA-N 2 2 339.483 2.034 20 30 EEEDLP C=CC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)CC1 ZINC000819750371 599540639 /nfs/dbraw/zinc/54/06/39/599540639.db2.gz DPWJQIBPXCOINM-UHFFFAOYSA-N 2 2 349.442 2.208 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000970684426 676076251 /nfs/dbraw/zinc/07/62/51/676076251.db2.gz URHZLNJYZAETHU-OAHLLOKOSA-N 2 2 339.443 2.284 20 30 EEEDLP O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001021473651 676122830 /nfs/dbraw/zinc/12/28/30/676122830.db2.gz WYBMXJAJAXKGFF-IHWFROFDSA-N 2 2 348.450 2.046 20 30 EEEDLP O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001021473651 676122832 /nfs/dbraw/zinc/12/28/32/676122832.db2.gz WYBMXJAJAXKGFF-IHWFROFDSA-N 2 2 348.450 2.046 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969951412 675335774 /nfs/dbraw/zinc/33/57/74/675335774.db2.gz ZHDHGTUWZOPRTH-AWEZNQCLSA-N 2 2 325.884 2.051 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723195 676382597 /nfs/dbraw/zinc/38/25/97/676382597.db2.gz DCGMHROZAQFMQQ-SJLPKXTDSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723195 676382598 /nfs/dbraw/zinc/38/25/98/676382598.db2.gz DCGMHROZAQFMQQ-SJLPKXTDSA-N 2 2 330.476 2.242 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971428798 676546728 /nfs/dbraw/zinc/54/67/28/676546728.db2.gz DRUUDBAJIMELJC-CYBMUJFWSA-N 2 2 343.456 2.008 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971428798 676546730 /nfs/dbraw/zinc/54/67/30/676546730.db2.gz DRUUDBAJIMELJC-CYBMUJFWSA-N 2 2 343.456 2.008 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742717 685385265 /nfs/dbraw/zinc/38/52/65/685385265.db2.gz NXPKTNOWNNTMMP-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742717 685385266 /nfs/dbraw/zinc/38/52/66/685385266.db2.gz NXPKTNOWNNTMMP-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@]2(C)C1 ZINC000982694411 682048863 /nfs/dbraw/zinc/04/88/63/682048863.db2.gz OEALBKDUWKWYKW-OYRHEFFESA-N 2 2 348.450 2.290 20 30 EEEDLP N#Cc1cccc(C[NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001026583572 684759924 /nfs/dbraw/zinc/75/99/24/684759924.db2.gz ZCMOTLLYRQYHFC-UHFFFAOYSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989638709 692113090 /nfs/dbraw/zinc/11/30/90/692113090.db2.gz MSOPEADDWIEJDW-UONOGXRCSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C(C)(C)C1 ZINC000977470077 692664801 /nfs/dbraw/zinc/66/48/01/692664801.db2.gz POXRHZYDFJBUOR-QGZVFWFLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C(C)(C)C1 ZINC000977470077 692664805 /nfs/dbraw/zinc/66/48/05/692664805.db2.gz POXRHZYDFJBUOR-QGZVFWFLSA-N 2 2 339.443 2.284 20 30 EEEDLP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1=O 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C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162981 1302359265 /nfs/dbraw/zinc/35/92/65/1302359265.db2.gz SKNXPBBOHYAHSO-ZACQAIPSSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246305663 1310276776 /nfs/dbraw/zinc/27/67/76/1310276776.db2.gz INJDZYWVVUWEEL-WMZOPIPTSA-N 3 2 337.508 2.210 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246305663 1310276781 /nfs/dbraw/zinc/27/67/81/1310276781.db2.gz INJDZYWVVUWEEL-WMZOPIPTSA-N 3 2 337.508 2.210 20 30 EEEDLP C[Si](C)(C)C#Cc1ccnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158266745 1319125418 /nfs/dbraw/zinc/12/54/18/1319125418.db2.gz MSNPVFBLOKWSRJ-KRWDZBQOSA-N 2 2 342.563 2.312 20 30 EEEDLP C[Si](C)(C)C#Cc1ccnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158266745 1319125427 /nfs/dbraw/zinc/12/54/27/1319125427.db2.gz MSNPVFBLOKWSRJ-KRWDZBQOSA-N 2 2 342.563 2.312 20 30 EEEDLP C=CCC[C@H](C)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258731437 1319331774 /nfs/dbraw/zinc/33/17/74/1319331774.db2.gz XPEPOWAHGUEIEZ-IRXDYDNUSA-N 2 2 331.508 2.362 20 30 EEEDLP C=CCC[C@H](C)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001258731437 1319331783 /nfs/dbraw/zinc/33/17/83/1319331783.db2.gz XPEPOWAHGUEIEZ-IRXDYDNUSA-N 2 2 331.508 2.362 20 30 EEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(NCC2CC2)c(C)c[nH+]1 ZINC001159919426 1320021031 /nfs/dbraw/zinc/02/10/31/1320021031.db2.gz WXKFSXQXJHDHFH-HNNXBMFYSA-N 2 2 347.463 2.246 20 30 EEEDLP Cc1c(Cl)c(Cl)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160511566 1320179635 /nfs/dbraw/zinc/17/96/35/1320179635.db2.gz OXZVMYUIZOHYSP-OAHLLOKOSA-N 2 2 340.258 2.404 20 30 EEEDLP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001161930882 1320680791 /nfs/dbraw/zinc/68/07/91/1320680791.db2.gz JQPLAYVQDHBKQE-UHFFFAOYSA-N 2 2 345.512 2.431 20 30 EEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001161930882 1320680796 /nfs/dbraw/zinc/68/07/96/1320680796.db2.gz JQPLAYVQDHBKQE-UHFFFAOYSA-N 2 2 345.512 2.431 20 30 EEEDLP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001161930882 1320680801 /nfs/dbraw/zinc/68/08/01/1320680801.db2.gz JQPLAYVQDHBKQE-UHFFFAOYSA-N 2 2 345.512 2.431 20 30 EEEDLP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001161930882 1320680806 /nfs/dbraw/zinc/68/08/06/1320680806.db2.gz JQPLAYVQDHBKQE-UHFFFAOYSA-N 2 2 345.512 2.431 20 30 EEEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001162952394 1320995480 /nfs/dbraw/zinc/99/54/80/1320995480.db2.gz OBQIYOZRYUUNEK-SFHVURJKSA-N 2 2 338.455 2.128 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2(C)COC2)C3)cc1C#N ZINC001276415790 1321941964 /nfs/dbraw/zinc/94/19/64/1321941964.db2.gz RWWMNWVGJCCKGK-HXUWFJFHSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2(C)COC2)C3)cc1C#N ZINC001276415790 1321941965 /nfs/dbraw/zinc/94/19/65/1321941965.db2.gz RWWMNWVGJCCKGK-HXUWFJFHSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2(C)COC2)C3)cc1C#N ZINC001276415790 1321941968 /nfs/dbraw/zinc/94/19/68/1321941968.db2.gz RWWMNWVGJCCKGK-HXUWFJFHSA-N 2 2 342.487 2.221 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2(C)COC2)C3)cc1C#N ZINC001276415790 1321941970 /nfs/dbraw/zinc/94/19/70/1321941970.db2.gz RWWMNWVGJCCKGK-HXUWFJFHSA-N 2 2 342.487 2.221 20 30 EEEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203950106 1321996591 /nfs/dbraw/zinc/99/65/91/1321996591.db2.gz IEBDILMTGIGFGY-SFHVURJKSA-N 2 2 330.476 2.231 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205659484 1323232636 /nfs/dbraw/zinc/23/26/36/1323232636.db2.gz IKZDZOBZNSQJNI-FUHWJXTLSA-N 2 2 342.418 2.252 20 30 EEEDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104197 1323851611 /nfs/dbraw/zinc/85/16/11/1323851611.db2.gz NKITVGQOVFPCQS-LJQANCHMSA-N 2 2 330.476 2.220 20 30 EEEDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104197 1323851614 /nfs/dbraw/zinc/85/16/14/1323851614.db2.gz NKITVGQOVFPCQS-LJQANCHMSA-N 2 2 330.476 2.220 20 30 EEEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104197 1323851619 /nfs/dbraw/zinc/85/16/19/1323851619.db2.gz NKITVGQOVFPCQS-LJQANCHMSA-N 2 2 330.476 2.220 20 30 EEEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001207104197 1323851622 /nfs/dbraw/zinc/85/16/22/1323851622.db2.gz NKITVGQOVFPCQS-LJQANCHMSA-N 2 2 330.476 2.220 20 30 EEEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001320052259 1332816717 /nfs/dbraw/zinc/81/67/17/1332816717.db2.gz KCFBSEFVBRMMJX-QGZVFWFLSA-N 2 2 328.460 2.467 20 30 EEEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001320052259 1332816722 /nfs/dbraw/zinc/81/67/22/1332816722.db2.gz KCFBSEFVBRMMJX-QGZVFWFLSA-N 2 2 328.460 2.467 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001135133266 1368054485 /nfs/dbraw/zinc/05/44/85/1368054485.db2.gz XSSZTEQSHQBNJD-ZWKOTPCHSA-N 2 2 338.455 2.198 20 30 EEEDLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)[nH+]c1C ZINC000886672537 1369643647 /nfs/dbraw/zinc/64/36/47/1369643647.db2.gz QIMPADAEPMPHRJ-SFHVURJKSA-N 2 2 329.448 2.014 20 30 EEEDLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC001366123309 1373810987 /nfs/dbraw/zinc/81/09/87/1373810987.db2.gz JRYMQRWKCYARDJ-WBAXXEDZSA-N 2 2 337.427 2.143 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001392323689 1389979548 /nfs/dbraw/zinc/97/95/48/1389979548.db2.gz YAGFMSJECDALAQ-GOSISDBHSA-N 2 2 348.466 2.174 20 30 EEEDLP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001392323689 1389979554 /nfs/dbraw/zinc/97/95/54/1389979554.db2.gz YAGFMSJECDALAQ-GOSISDBHSA-N 2 2 348.466 2.174 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001755770546 1407831177 /nfs/dbraw/zinc/83/11/77/1407831177.db2.gz VNGVYAYACNRHAH-VXGBXAGGSA-N 2 2 344.381 2.100 20 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CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488497 769780027 /nfs/dbraw/zinc/78/00/27/769780027.db2.gz UVWVZOZFALIDBZ-CVEARBPZSA-N 2 2 342.487 2.460 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088170689 783032905 /nfs/dbraw/zinc/03/29/05/783032905.db2.gz BJRLBOXZSFINNU-KGLIPLIRSA-N 2 2 336.867 2.220 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088170689 783032911 /nfs/dbraw/zinc/03/29/11/783032911.db2.gz BJRLBOXZSFINNU-KGLIPLIRSA-N 2 2 336.867 2.220 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000979975529 773651538 /nfs/dbraw/zinc/65/15/38/773651538.db2.gz BHGZKLOGJZANLV-UAGQMJEPSA-N 2 2 329.444 2.035 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000979975529 773651543 /nfs/dbraw/zinc/65/15/43/773651543.db2.gz BHGZKLOGJZANLV-UAGQMJEPSA-N 2 2 329.444 2.035 20 30 EEEDLP 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ZINC000981953212 778651164 /nfs/dbraw/zinc/65/11/64/778651164.db2.gz JHFMQSSGAXXDTN-LJQANCHMSA-N 2 2 339.483 2.057 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981953212 778651171 /nfs/dbraw/zinc/65/11/71/778651171.db2.gz JHFMQSSGAXXDTN-LJQANCHMSA-N 2 2 339.483 2.057 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981953212 778651174 /nfs/dbraw/zinc/65/11/74/778651174.db2.gz JHFMQSSGAXXDTN-LJQANCHMSA-N 2 2 339.483 2.057 20 30 EEEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@]2(C)C1 ZINC000982283164 779531837 /nfs/dbraw/zinc/53/18/37/779531837.db2.gz NXGYQBLPGITXMW-BGYRXZFFSA-N 2 2 342.487 2.118 20 30 EEEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@]2(C)C1 ZINC000982283164 779531844 /nfs/dbraw/zinc/53/18/44/779531844.db2.gz NXGYQBLPGITXMW-BGYRXZFFSA-N 2 2 342.487 2.118 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135579048 784032188 /nfs/dbraw/zinc/03/21/88/784032188.db2.gz IKPQIKFUAWRNKR-CHWSQXEVSA-N 2 2 343.406 2.036 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000995978184 785884856 /nfs/dbraw/zinc/88/48/56/785884856.db2.gz UFXPHXJKPPDVSW-KGLIPLIRSA-N 2 2 336.867 2.025 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]cn1C ZINC001089895749 787022045 /nfs/dbraw/zinc/02/20/45/787022045.db2.gz GZTFQPICZZAECY-KANFNMMFSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]cn1C ZINC001089895749 787022054 /nfs/dbraw/zinc/02/20/54/787022054.db2.gz GZTFQPICZZAECY-KANFNMMFSA-N 2 2 342.487 2.098 20 30 EEEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823888141 787982605 /nfs/dbraw/zinc/98/26/05/787982605.db2.gz GETFEXSWWODTAO-AWEZNQCLSA-N 2 2 326.448 2.385 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991476423 789021181 /nfs/dbraw/zinc/02/11/81/789021181.db2.gz VPIIKWPXKDFKCN-LSBZLQRGSA-N 2 2 328.460 2.122 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991476423 789021188 /nfs/dbraw/zinc/02/11/88/789021188.db2.gz VPIIKWPXKDFKCN-LSBZLQRGSA-N 2 2 328.460 2.122 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991476423 789021201 /nfs/dbraw/zinc/02/12/01/789021201.db2.gz VPIIKWPXKDFKCN-LSBZLQRGSA-N 2 2 328.460 2.122 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991476423 789021212 /nfs/dbraw/zinc/02/12/12/789021212.db2.gz VPIIKWPXKDFKCN-LSBZLQRGSA-N 2 2 328.460 2.122 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997182952 789361879 /nfs/dbraw/zinc/36/18/79/789361879.db2.gz AGDGRRSQUJXFNL-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997186547 789381484 /nfs/dbraw/zinc/38/14/84/789381484.db2.gz LKZNXCZQDHHMEQ-WBVHZDCISA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001091107004 789789543 /nfs/dbraw/zinc/78/95/43/789789543.db2.gz YZEOCDARPKAUNT-MOKVOYLWSA-N 2 2 336.867 2.060 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001091107004 789789550 /nfs/dbraw/zinc/78/95/50/789789550.db2.gz YZEOCDARPKAUNT-MOKVOYLWSA-N 2 2 336.867 2.060 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000947766857 790133046 /nfs/dbraw/zinc/13/30/46/790133046.db2.gz KNRLUWDWFWAGPA-QZTJIDSGSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000947766857 790133049 /nfs/dbraw/zinc/13/30/49/790133049.db2.gz KNRLUWDWFWAGPA-QZTJIDSGSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998050191 791889470 /nfs/dbraw/zinc/88/94/70/791889470.db2.gz FXTAJUHOLDUETG-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998050191 791889473 /nfs/dbraw/zinc/88/94/73/791889473.db2.gz FXTAJUHOLDUETG-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C(F)(F)F ZINC000998265370 792384891 /nfs/dbraw/zinc/38/48/91/792384891.db2.gz HJWRHNZMBZPXFE-KGLIPLIRSA-N 2 2 344.381 2.287 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998265370 792384900 /nfs/dbraw/zinc/38/49/00/792384900.db2.gz HJWRHNZMBZPXFE-KGLIPLIRSA-N 2 2 344.381 2.287 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948118 793050574 /nfs/dbraw/zinc/05/05/74/793050574.db2.gz PZFATYOWAJSSRI-HOTGVXAUSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948118 793050585 /nfs/dbraw/zinc/05/05/85/793050585.db2.gz PZFATYOWAJSSRI-HOTGVXAUSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955758 793096626 /nfs/dbraw/zinc/09/66/26/793096626.db2.gz VRJODXLJGAOLKL-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093383130 795124596 /nfs/dbraw/zinc/12/45/96/795124596.db2.gz GMWOAXOEISGTCG-SFHVURJKSA-N 2 2 328.460 2.162 20 30 EEEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093383130 795124598 /nfs/dbraw/zinc/12/45/98/795124598.db2.gz GMWOAXOEISGTCG-SFHVURJKSA-N 2 2 328.460 2.162 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655166 796055298 /nfs/dbraw/zinc/05/52/98/796055298.db2.gz DWAOQBWHHVFOEX-OAGGEKHMSA-N 2 2 330.476 2.480 20 30 EEEDLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082572650 797590366 /nfs/dbraw/zinc/59/03/66/797590366.db2.gz PQDXYKDMLPSDMA-VVHMCBODSA-N 2 2 349.438 2.022 20 30 EEEDLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082572650 797590369 /nfs/dbraw/zinc/59/03/69/797590369.db2.gz PQDXYKDMLPSDMA-VVHMCBODSA-N 2 2 349.438 2.022 20 30 EEEDLP C=CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000917069519 798059786 /nfs/dbraw/zinc/05/97/86/798059786.db2.gz RDNFUBJLABQXTC-UHFFFAOYSA-N 2 2 331.460 2.354 20 30 EEEDLP C=CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000917069519 798059793 /nfs/dbraw/zinc/05/97/93/798059793.db2.gz RDNFUBJLABQXTC-UHFFFAOYSA-N 2 2 331.460 2.354 20 30 EEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176144539 798347388 /nfs/dbraw/zinc/34/73/88/798347388.db2.gz RKXLASGSTXIKPE-OAHLLOKOSA-N 2 2 327.432 2.332 20 30 EEEDLP CCCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157573 798780283 /nfs/dbraw/zinc/78/02/83/798780283.db2.gz SUTYQNGWRJCZFR-QZTJIDSGSA-N 2 2 348.491 2.155 20 30 EEEDLP CCCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157573 798780286 /nfs/dbraw/zinc/78/02/86/798780286.db2.gz SUTYQNGWRJCZFR-QZTJIDSGSA-N 2 2 348.491 2.155 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178870392 799663921 /nfs/dbraw/zinc/66/39/21/799663921.db2.gz CATNKTODPQAYAV-OAHLLOKOSA-N 2 2 338.883 2.464 20 30 EEEDLP C=CC[NH2+]CCCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001179977254 800195021 /nfs/dbraw/zinc/19/50/21/800195021.db2.gz JXCGYAXEPUANHB-UHFFFAOYSA-N 2 2 327.432 2.333 20 30 EEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184651042 802116351 /nfs/dbraw/zinc/11/63/51/802116351.db2.gz BSOCHXVRDIVVIA-JKSUJKDBSA-N 2 2 331.460 2.283 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004498110 802230014 /nfs/dbraw/zinc/23/00/14/802230014.db2.gz MMXNQJDXUMVXQB-SFHVURJKSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004498110 802230022 /nfs/dbraw/zinc/23/00/22/802230022.db2.gz MMXNQJDXUMVXQB-SFHVURJKSA-N 2 2 342.487 2.079 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004504069 802260022 /nfs/dbraw/zinc/26/00/22/802260022.db2.gz ALNBPYXYLJYXGG-QGZVFWFLSA-N 2 2 332.492 2.087 20 30 EEEDLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004504069 802260025 /nfs/dbraw/zinc/26/00/25/802260025.db2.gz ALNBPYXYLJYXGG-QGZVFWFLSA-N 2 2 332.492 2.087 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033212554 803275701 /nfs/dbraw/zinc/27/57/01/803275701.db2.gz UYEKXPIXXPTCPU-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033212554 803275702 /nfs/dbraw/zinc/27/57/02/803275702.db2.gz UYEKXPIXXPTCPU-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033212554 803275707 /nfs/dbraw/zinc/27/57/07/803275707.db2.gz UYEKXPIXXPTCPU-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033212554 803275711 /nfs/dbraw/zinc/27/57/11/803275711.db2.gz UYEKXPIXXPTCPU-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001437356404 1089582583 /nfs/dbraw/zinc/58/25/83/1089582583.db2.gz ZITCOPIEOHVSAR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001437356404 1089582596 /nfs/dbraw/zinc/58/25/96/1089582596.db2.gz ZITCOPIEOHVSAR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001437356404 1089582611 /nfs/dbraw/zinc/58/26/11/1089582611.db2.gz ZITCOPIEOHVSAR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001437356404 1089582626 /nfs/dbraw/zinc/58/26/26/1089582626.db2.gz ZITCOPIEOHVSAR-AWEZNQCLSA-N 2 2 346.313 2.160 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664383 237047632 /nfs/dbraw/zinc/04/76/32/237047632.db2.gz RZKCSMBISRDCFI-SJLPKXTDSA-N 2 2 329.444 2.132 20 30 EEEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664383 237047636 /nfs/dbraw/zinc/04/76/36/237047636.db2.gz RZKCSMBISRDCFI-SJLPKXTDSA-N 2 2 329.444 2.132 20 30 EEEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000104327039 237086142 /nfs/dbraw/zinc/08/61/42/237086142.db2.gz ZVXIHODSBJMYFN-UHFFFAOYSA-N 2 2 339.443 2.239 20 30 EEEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534126504 270022829 /nfs/dbraw/zinc/02/28/29/270022829.db2.gz KNRHOUOSJKWEQD-GOSISDBHSA-N 2 2 335.411 2.056 20 30 EEEDLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCCCC#N ZINC000194542278 463880994 /nfs/dbraw/zinc/88/09/94/463880994.db2.gz TXACEVJZBWLKFP-CALCHBBNSA-N 2 2 329.444 2.371 20 30 EEEDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCCCC#N ZINC000194542278 463880997 /nfs/dbraw/zinc/88/09/97/463880997.db2.gz TXACEVJZBWLKFP-CALCHBBNSA-N 2 2 329.444 2.371 20 30 EEEDLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OCCCC#N ZINC000194542278 463881006 /nfs/dbraw/zinc/88/10/06/463881006.db2.gz TXACEVJZBWLKFP-CALCHBBNSA-N 2 2 329.444 2.371 20 30 EEEDLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OCCCC#N ZINC000194542278 463881015 /nfs/dbraw/zinc/88/10/15/463881015.db2.gz TXACEVJZBWLKFP-CALCHBBNSA-N 2 2 329.444 2.371 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000247963694 464717730 /nfs/dbraw/zinc/71/77/30/464717730.db2.gz GMOQQGIOGLQZTD-IAGOWNOFSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1(C#N)CCCCC1 ZINC000247963694 464717737 /nfs/dbraw/zinc/71/77/37/464717737.db2.gz GMOQQGIOGLQZTD-IAGOWNOFSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1(C#N)CCCCC1 ZINC000247963694 464717744 /nfs/dbraw/zinc/71/77/44/464717744.db2.gz GMOQQGIOGLQZTD-IAGOWNOFSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1(C#N)CCCCC1 ZINC000247963694 464717748 /nfs/dbraw/zinc/71/77/48/464717748.db2.gz GMOQQGIOGLQZTD-IAGOWNOFSA-N 2 2 332.492 2.087 20 30 EEEDLP CN(C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C1CCCCC1 ZINC000266995916 464899428 /nfs/dbraw/zinc/89/94/28/464899428.db2.gz DUTWLLURAQYMOK-UHFFFAOYSA-N 2 2 346.475 2.176 20 30 EEEDLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1C#N ZINC000276493934 464954944 /nfs/dbraw/zinc/95/49/44/464954944.db2.gz ALYVZTVQGVXMFV-UHFFFAOYSA-N 2 2 338.459 2.434 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000330197972 465565945 /nfs/dbraw/zinc/56/59/45/465565945.db2.gz SONLRNYRGFHKJI-ZMSDIMECSA-N 2 2 343.475 2.061 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000330197972 465565950 /nfs/dbraw/zinc/56/59/50/465565950.db2.gz SONLRNYRGFHKJI-ZMSDIMECSA-N 2 2 343.475 2.061 20 30 EEEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000330197972 465565955 /nfs/dbraw/zinc/56/59/55/465565955.db2.gz SONLRNYRGFHKJI-ZMSDIMECSA-N 2 2 343.475 2.061 20 30 EEEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000330197972 465565959 /nfs/dbraw/zinc/56/59/59/465565959.db2.gz SONLRNYRGFHKJI-ZMSDIMECSA-N 2 2 343.475 2.061 20 30 EEEDLP C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000299175192 465637444 /nfs/dbraw/zinc/63/74/44/465637444.db2.gz WPRQEPJXNUIYBP-DLBZAZTESA-N 2 2 342.487 2.247 20 30 EEEDLP C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000299175192 465637453 /nfs/dbraw/zinc/63/74/53/465637453.db2.gz WPRQEPJXNUIYBP-DLBZAZTESA-N 2 2 342.487 2.247 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000299352345 465711696 /nfs/dbraw/zinc/71/16/96/465711696.db2.gz VWEKIHYVAAFYQN-RMKNXTFCSA-N 2 2 334.423 2.053 20 30 EEEDLP CN(C)c1ccc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c[nH+]1 ZINC000331324021 466032882 /nfs/dbraw/zinc/03/28/82/466032882.db2.gz NJPZOWPQPCLBFN-HNNXBMFYSA-N 2 2 333.480 2.272 20 30 EEEDLP CN(C)c1ccc(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c[nH+]1 ZINC000331324021 466032885 /nfs/dbraw/zinc/03/28/85/466032885.db2.gz NJPZOWPQPCLBFN-HNNXBMFYSA-N 2 2 333.480 2.272 20 30 EEEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)[nH+]c2)C1 ZINC000421323374 466652383 /nfs/dbraw/zinc/65/23/83/466652383.db2.gz AHWICKONFDUVJF-QGZVFWFLSA-N 2 2 339.418 2.845 20 30 EEEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C1 ZINC000364231513 466689005 /nfs/dbraw/zinc/68/90/05/466689005.db2.gz MJTQOFQQHQVARY-LJQANCHMSA-N 2 2 331.891 2.403 20 30 EEEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C1 ZINC000364231513 466689010 /nfs/dbraw/zinc/68/90/10/466689010.db2.gz MJTQOFQQHQVARY-LJQANCHMSA-N 2 2 331.891 2.403 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038439 467196986 /nfs/dbraw/zinc/19/69/86/467196986.db2.gz NUQMHLNJWLUEFM-UXLLHSPISA-N 2 2 333.501 2.335 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038439 467196989 /nfs/dbraw/zinc/19/69/89/467196989.db2.gz NUQMHLNJWLUEFM-UXLLHSPISA-N 2 2 333.501 2.335 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444217116 467582072 /nfs/dbraw/zinc/58/20/72/467582072.db2.gz VZMGBEMAGXIXIY-LMMKCTJWSA-N 2 2 334.508 2.237 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444217116 467582074 /nfs/dbraw/zinc/58/20/74/467582074.db2.gz VZMGBEMAGXIXIY-LMMKCTJWSA-N 2 2 334.508 2.237 20 30 EEEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnc12 ZINC000570162261 468598758 /nfs/dbraw/zinc/59/87/58/468598758.db2.gz GRFHPHXZMFWQEG-MAUKXSAKSA-N 2 2 336.443 2.050 20 30 EEEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnc12 ZINC000570162261 468598764 /nfs/dbraw/zinc/59/87/64/468598764.db2.gz GRFHPHXZMFWQEG-MAUKXSAKSA-N 2 2 336.443 2.050 20 30 EEEDLP N#Cc1cnn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc12 ZINC000570162261 468598771 /nfs/dbraw/zinc/59/87/71/468598771.db2.gz GRFHPHXZMFWQEG-MAUKXSAKSA-N 2 2 336.443 2.050 20 30 EEEDLP N#Cc1cnn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnc12 ZINC000570162261 468598774 /nfs/dbraw/zinc/59/87/74/468598774.db2.gz GRFHPHXZMFWQEG-MAUKXSAKSA-N 2 2 336.443 2.050 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505357 468880995 /nfs/dbraw/zinc/88/09/95/468880995.db2.gz SBRSPTZPGVWLSL-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505357 468880996 /nfs/dbraw/zinc/88/09/96/468880996.db2.gz SBRSPTZPGVWLSL-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505357 468880997 /nfs/dbraw/zinc/88/09/97/468880997.db2.gz SBRSPTZPGVWLSL-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505357 468880998 /nfs/dbraw/zinc/88/09/98/468880998.db2.gz SBRSPTZPGVWLSL-HNAYVOBHSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157787 469898961 /nfs/dbraw/zinc/89/89/61/469898961.db2.gz XBJVIDKDUNAOQY-CVEARBPZSA-N 2 2 329.448 2.251 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157787 469898963 /nfs/dbraw/zinc/89/89/63/469898963.db2.gz XBJVIDKDUNAOQY-CVEARBPZSA-N 2 2 329.448 2.251 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2C)CC1 ZINC000748820827 577967518 /nfs/dbraw/zinc/96/75/18/577967518.db2.gz CKCKBGSXBHRKGU-FQEVSTJZSA-N 2 2 339.483 2.218 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2C)CC1 ZINC000748820827 577967519 /nfs/dbraw/zinc/96/75/19/577967519.db2.gz CKCKBGSXBHRKGU-FQEVSTJZSA-N 2 2 339.483 2.218 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970017215 675387220 /nfs/dbraw/zinc/38/72/20/675387220.db2.gz VCEGFSQKVCIZQV-GFCCVEGCSA-N 2 2 332.835 2.445 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000971923491 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/nfs/dbraw/zinc/07/42/52/1188074252.db2.gz VSSNWOSWLREAFZ-AYOQOUSVSA-N 2 2 340.471 2.122 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076261573 1188814197 /nfs/dbraw/zinc/81/41/97/1188814197.db2.gz PWLRADJREMSPGY-BVIKNXMNSA-N 2 2 328.460 2.023 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076261573 1188814200 /nfs/dbraw/zinc/81/42/00/1188814200.db2.gz PWLRADJREMSPGY-BVIKNXMNSA-N 2 2 328.460 2.023 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417558 1188902911 /nfs/dbraw/zinc/90/29/11/1188902911.db2.gz JUMBKPAVGBGYRC-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417558 1188902914 /nfs/dbraw/zinc/90/29/14/1188902914.db2.gz JUMBKPAVGBGYRC-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837292 1195355910 /nfs/dbraw/zinc/35/59/10/1195355910.db2.gz HACOYHAASIQDRI-CRAIPNDOSA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837292 1195355915 /nfs/dbraw/zinc/35/59/15/1195355915.db2.gz HACOYHAASIQDRI-CRAIPNDOSA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033837292 1195355923 /nfs/dbraw/zinc/35/59/23/1195355923.db2.gz HACOYHAASIQDRI-CRAIPNDOSA-N 2 2 345.491 2.289 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033877438 1195415089 /nfs/dbraw/zinc/41/50/89/1195415089.db2.gz GAMGDVHKTLXDJF-OAHLLOKOSA-N 2 2 334.464 2.239 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033877438 1195415092 /nfs/dbraw/zinc/41/50/92/1195415092.db2.gz GAMGDVHKTLXDJF-OAHLLOKOSA-N 2 2 334.464 2.239 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001014780107 1224338478 /nfs/dbraw/zinc/33/84/78/1224338478.db2.gz PLZWESSZVRPSCW-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001014780107 1224338485 /nfs/dbraw/zinc/33/84/85/1224338485.db2.gz PLZWESSZVRPSCW-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001014780107 1224338496 /nfs/dbraw/zinc/33/84/96/1224338496.db2.gz PLZWESSZVRPSCW-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001014780107 1224338505 /nfs/dbraw/zinc/33/85/05/1224338505.db2.gz PLZWESSZVRPSCW-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134740991 1199784183 /nfs/dbraw/zinc/78/41/83/1199784183.db2.gz VESQGPLTGZIBJC-KBPBESRZSA-N 2 2 330.432 2.252 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001132838803 1200081648 /nfs/dbraw/zinc/08/16/48/1200081648.db2.gz JSDHJDPUMOLSHM-JKSUJKDBSA-N 2 2 330.476 2.022 20 30 EEEDLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275426100 1205353749 /nfs/dbraw/zinc/35/37/49/1205353749.db2.gz WYRRQAHGFIPKEW-UHFFFAOYSA-N 2 2 330.451 2.157 20 30 EEEDLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275426100 1205353752 /nfs/dbraw/zinc/35/37/52/1205353752.db2.gz WYRRQAHGFIPKEW-UHFFFAOYSA-N 2 2 330.451 2.157 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947573096 1208626692 /nfs/dbraw/zinc/62/66/92/1208626692.db2.gz YMCFKQQZHLMYFK-AEFFLSMTSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947573096 1208626693 /nfs/dbraw/zinc/62/66/93/1208626693.db2.gz YMCFKQQZHLMYFK-AEFFLSMTSA-N 2 2 336.439 2.478 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947921065 1208776908 /nfs/dbraw/zinc/77/69/08/1208776908.db2.gz KKECYQJEVLTEOT-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947921065 1208776910 /nfs/dbraw/zinc/77/69/10/1208776910.db2.gz KKECYQJEVLTEOT-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566402 1209227148 /nfs/dbraw/zinc/22/71/48/1209227148.db2.gz ODTHIDHXGAGGQE-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000948566402 1209227151 /nfs/dbraw/zinc/22/71/51/1209227151.db2.gz ODTHIDHXGAGGQE-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566402 1209227153 /nfs/dbraw/zinc/22/71/53/1209227153.db2.gz ODTHIDHXGAGGQE-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000948566402 1209227156 /nfs/dbraw/zinc/22/71/56/1209227156.db2.gz ODTHIDHXGAGGQE-IAGOWNOFSA-N 2 2 342.487 2.159 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262853 1217116963 /nfs/dbraw/zinc/11/69/63/1217116963.db2.gz QNXBATGIYYKYEF-IAGOWNOFSA-N 2 2 330.476 2.099 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961262853 1217116965 /nfs/dbraw/zinc/11/69/65/1217116965.db2.gz QNXBATGIYYKYEF-IAGOWNOFSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000963580566 1217891811 /nfs/dbraw/zinc/89/18/11/1217891811.db2.gz CAZRZXUPNJQZJB-GTPINHCMSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903097 1220108735 /nfs/dbraw/zinc/10/87/35/1220108735.db2.gz BBEDSLYRSLVWMO-ZBFHGGJFSA-N 2 2 339.911 2.442 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903097 1220108738 /nfs/dbraw/zinc/10/87/38/1220108738.db2.gz BBEDSLYRSLVWMO-ZBFHGGJFSA-N 2 2 339.911 2.442 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001038365409 1229771668 /nfs/dbraw/zinc/77/16/68/1229771668.db2.gz CCVRXGJMRLHDMA-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001038365409 1229771671 /nfs/dbraw/zinc/77/16/71/1229771671.db2.gz CCVRXGJMRLHDMA-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(C)cc(C)c1 ZINC001038365409 1229771673 /nfs/dbraw/zinc/77/16/73/1229771673.db2.gz CCVRXGJMRLHDMA-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(C)cc(C)c1 ZINC001038365409 1229771676 /nfs/dbraw/zinc/77/16/76/1229771676.db2.gz CCVRXGJMRLHDMA-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001039137479 1230349975 /nfs/dbraw/zinc/34/99/75/1230349975.db2.gz RTYBQYDETCQPEH-MSOLQXFVSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001039137479 1230349980 /nfs/dbraw/zinc/34/99/80/1230349980.db2.gz RTYBQYDETCQPEH-MSOLQXFVSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298642 1231158340 /nfs/dbraw/zinc/15/83/40/1231158340.db2.gz YONRBEPZUJARKO-KRWDZBQOSA-N 2 2 336.867 2.259 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298642 1231158342 /nfs/dbraw/zinc/15/83/42/1231158342.db2.gz YONRBEPZUJARKO-KRWDZBQOSA-N 2 2 336.867 2.259 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040390012 1231202060 /nfs/dbraw/zinc/20/20/60/1231202060.db2.gz YGFZNOQEJTVWQM-OXQOHEQNSA-N 2 2 340.471 2.167 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040390012 1231202061 /nfs/dbraw/zinc/20/20/61/1231202061.db2.gz YGFZNOQEJTVWQM-OXQOHEQNSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001041846847 1231729618 /nfs/dbraw/zinc/72/96/18/1231729618.db2.gz BGMORPMTOFGFPL-ICSRJNTNSA-N 2 2 342.487 2.185 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001041846847 1231729619 /nfs/dbraw/zinc/72/96/19/1231729619.db2.gz BGMORPMTOFGFPL-ICSRJNTNSA-N 2 2 342.487 2.185 20 30 EEEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001045483446 1233771144 /nfs/dbraw/zinc/77/11/44/1233771144.db2.gz LGJPXBKZHLCWHX-MRXNPFEDSA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001048550678 1237943916 /nfs/dbraw/zinc/94/39/16/1237943916.db2.gz YLWVGSJNQCSUAQ-PDFPEKILSA-N 2 2 348.450 2.478 20 30 EEEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001048550678 1237943919 /nfs/dbraw/zinc/94/39/19/1237943919.db2.gz YLWVGSJNQCSUAQ-PDFPEKILSA-N 2 2 348.450 2.478 20 30 EEEDLP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC001000205021 1240059895 /nfs/dbraw/zinc/05/98/95/1240059895.db2.gz SEWCPXXISYBGKC-INIZCTEOSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681379 1240722578 /nfs/dbraw/zinc/72/25/78/1240722578.db2.gz BKGCLJZGNWMRHI-IRXDYDNUSA-N 2 2 337.895 2.362 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681379 1240722585 /nfs/dbraw/zinc/72/25/85/1240722585.db2.gz BKGCLJZGNWMRHI-IRXDYDNUSA-N 2 2 337.895 2.362 20 30 EEEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000681379 1240722590 /nfs/dbraw/zinc/72/25/90/1240722590.db2.gz BKGCLJZGNWMRHI-IRXDYDNUSA-N 2 2 337.895 2.362 20 30 EEEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000681379 1240722601 /nfs/dbraw/zinc/72/26/01/1240722601.db2.gz BKGCLJZGNWMRHI-IRXDYDNUSA-N 2 2 337.895 2.362 20 30 EEEDLP C=CCC[N@H+]1CC=C(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001324761 1242057486 /nfs/dbraw/zinc/05/74/86/1242057486.db2.gz KRGHQBMAFCQFNU-UHFFFAOYSA-N 2 2 337.427 2.205 20 30 EEEDLP C=CCC[N@@H+]1CC=C(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001324761 1242057493 /nfs/dbraw/zinc/05/74/93/1242057493.db2.gz KRGHQBMAFCQFNU-UHFFFAOYSA-N 2 2 337.427 2.205 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001050053833 1242733163 /nfs/dbraw/zinc/73/31/63/1242733163.db2.gz XIXMBCQWBFCYLS-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001050053833 1242733168 /nfs/dbraw/zinc/73/31/68/1242733168.db2.gz XIXMBCQWBFCYLS-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001050081194 1242806377 /nfs/dbraw/zinc/80/63/77/1242806377.db2.gz RLBABQCSLQCGQZ-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC001050081194 1242806391 /nfs/dbraw/zinc/80/63/91/1242806391.db2.gz RLBABQCSLQCGQZ-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001050081194 1242806405 /nfs/dbraw/zinc/80/64/05/1242806405.db2.gz RLBABQCSLQCGQZ-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC001050081194 1242806416 /nfs/dbraw/zinc/80/64/16/1242806416.db2.gz RLBABQCSLQCGQZ-TXPKVOOTSA-N 2 2 342.487 2.322 20 30 EEEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643080 1243035061 /nfs/dbraw/zinc/03/50/61/1243035061.db2.gz DUQUHEHFSFLKFL-PVAVHDDUSA-N 2 2 329.444 2.090 20 30 EEEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096643080 1243035070 /nfs/dbraw/zinc/03/50/70/1243035070.db2.gz DUQUHEHFSFLKFL-PVAVHDDUSA-N 2 2 329.444 2.090 20 30 EEEDLP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001052952875 1245542115 /nfs/dbraw/zinc/54/21/15/1245542115.db2.gz SJZBGSHEDNDAQP-KRWDZBQOSA-N 2 2 345.512 2.100 20 30 EEEDLP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001052952875 1245542121 /nfs/dbraw/zinc/54/21/21/1245542121.db2.gz SJZBGSHEDNDAQP-KRWDZBQOSA-N 2 2 345.512 2.100 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052952875 1245542126 /nfs/dbraw/zinc/54/21/26/1245542126.db2.gz SJZBGSHEDNDAQP-KRWDZBQOSA-N 2 2 345.512 2.100 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052952875 1245542131 /nfs/dbraw/zinc/54/21/31/1245542131.db2.gz SJZBGSHEDNDAQP-KRWDZBQOSA-N 2 2 345.512 2.100 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053041063 1245746994 /nfs/dbraw/zinc/74/69/94/1245746994.db2.gz XHSLUGBROZUUFS-IAGOWNOFSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053041063 1245747001 /nfs/dbraw/zinc/74/70/01/1245747001.db2.gz XHSLUGBROZUUFS-IAGOWNOFSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104336 1245915643 /nfs/dbraw/zinc/91/56/43/1245915643.db2.gz FCBADCFDBIKDGA-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104336 1245915649 /nfs/dbraw/zinc/91/56/49/1245915649.db2.gz FCBADCFDBIKDGA-WMZOPIPTSA-N 2 2 330.476 2.242 20 30 EEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071712496 1254549219 /nfs/dbraw/zinc/54/92/19/1254549219.db2.gz PDVFUNJGJWLONX-FUHWJXTLSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071712496 1254549241 /nfs/dbraw/zinc/54/92/41/1254549241.db2.gz PDVFUNJGJWLONX-FUHWJXTLSA-N 2 2 336.439 2.478 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC001185481448 1278662989 /nfs/dbraw/zinc/66/29/89/1278662989.db2.gz FWBHXBZGDNKBTP-HOTGVXAUSA-N 2 2 339.443 2.141 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284352 1282978530 /nfs/dbraw/zinc/97/85/30/1282978530.db2.gz GQWKOKLSKLINQK-GOSISDBHSA-N 2 2 346.450 2.070 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284352 1282978535 /nfs/dbraw/zinc/97/85/35/1282978535.db2.gz GQWKOKLSKLINQK-GOSISDBHSA-N 2 2 346.450 2.070 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284352 1282978544 /nfs/dbraw/zinc/97/85/44/1282978544.db2.gz GQWKOKLSKLINQK-GOSISDBHSA-N 2 2 346.450 2.070 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001194284352 1282978545 /nfs/dbraw/zinc/97/85/45/1282978545.db2.gz GQWKOKLSKLINQK-GOSISDBHSA-N 2 2 346.450 2.070 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@@H]1C ZINC001071957250 1295036302 /nfs/dbraw/zinc/03/63/02/1295036302.db2.gz FWPMXETXLCLEKZ-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@@H]1C ZINC001071957250 1295036309 /nfs/dbraw/zinc/03/63/09/1295036309.db2.gz FWPMXETXLCLEKZ-JKSUJKDBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006072 1296689110 /nfs/dbraw/zinc/68/91/10/1296689110.db2.gz QUDRXLALPRDGRV-DDUZABMNSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006072 1296689123 /nfs/dbraw/zinc/68/91/23/1296689123.db2.gz QUDRXLALPRDGRV-DDUZABMNSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088111 1300275524 /nfs/dbraw/zinc/27/55/24/1300275524.db2.gz MQXKNHMJDWLEJZ-GDBMZVCRSA-N 2 2 342.443 2.063 20 30 EEEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088111 1300275534 /nfs/dbraw/zinc/27/55/34/1300275534.db2.gz MQXKNHMJDWLEJZ-GDBMZVCRSA-N 2 2 342.443 2.063 20 30 EEEDLP C[NH+](C)CC1(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)CCCC1 ZINC001278075167 1305872755 /nfs/dbraw/zinc/87/27/55/1305872755.db2.gz ZRPMAHSZHQTKJO-OXJNMPFZSA-N 2 2 344.503 2.135 20 30 EEEDLP C[NH+](C)CC1(C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)CCCC1 ZINC001278075167 1305872768 /nfs/dbraw/zinc/87/27/68/1305872768.db2.gz ZRPMAHSZHQTKJO-OXJNMPFZSA-N 2 2 344.503 2.135 20 30 EEEDLP CC[NH+](CC)CCN1CC[NH+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249426433 1317083312 /nfs/dbraw/zinc/08/33/12/1317083312.db2.gz QHIUCQCXXWEFOX-UHFFFAOYSA-N 2 2 339.487 2.499 20 30 EEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001252473166 1317612227 /nfs/dbraw/zinc/61/22/27/1317612227.db2.gz HYRRTWYEZZAVSH-IBGZPJMESA-N 2 2 336.451 2.285 20 30 EEEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001252473166 1317612232 /nfs/dbraw/zinc/61/22/32/1317612232.db2.gz HYRRTWYEZZAVSH-IBGZPJMESA-N 2 2 336.451 2.285 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929424 1317730187 /nfs/dbraw/zinc/73/01/87/1317730187.db2.gz GXWTXULHPBDCRN-YSTOQKLRSA-N 2 2 325.456 2.390 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252929424 1317730191 /nfs/dbraw/zinc/73/01/91/1317730191.db2.gz GXWTXULHPBDCRN-YSTOQKLRSA-N 2 2 325.456 2.390 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252929424 1317730193 /nfs/dbraw/zinc/73/01/93/1317730193.db2.gz GXWTXULHPBDCRN-YSTOQKLRSA-N 2 2 325.456 2.390 20 30 EEEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929424 1317730198 /nfs/dbraw/zinc/73/01/98/1317730198.db2.gz GXWTXULHPBDCRN-YSTOQKLRSA-N 2 2 325.456 2.390 20 30 EEEDLP C=C[C@H](O)C[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001253605596 1317892034 /nfs/dbraw/zinc/89/20/34/1317892034.db2.gz UPIHJECPHOZFIZ-SFTDATJTSA-N 2 2 340.467 2.186 20 30 EEEDLP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942248 1318304252 /nfs/dbraw/zinc/30/42/52/1318304252.db2.gz HNRDGXYAYBJAHN-QGZVFWFLSA-N 2 2 338.455 2.070 20 30 EEEDLP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942248 1318304262 /nfs/dbraw/zinc/30/42/62/1318304262.db2.gz HNRDGXYAYBJAHN-QGZVFWFLSA-N 2 2 338.455 2.070 20 30 EEEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001158709343 1319390391 /nfs/dbraw/zinc/39/03/91/1319390391.db2.gz NNGQDJMLTOOHLQ-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001158709343 1319390400 /nfs/dbraw/zinc/39/04/00/1319390400.db2.gz NNGQDJMLTOOHLQ-QGZVFWFLSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)(COC)CC1 ZINC001162235942 1320792206 /nfs/dbraw/zinc/79/22/06/1320792206.db2.gz JTJIMVARYODKKI-UHFFFAOYSA-N 2 2 348.491 2.153 20 30 EEEDLP C=CCCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205515654 1323172198 /nfs/dbraw/zinc/17/21/98/1323172198.db2.gz ANDPIWHRSTUBCC-UHFFFAOYSA-N 2 2 331.460 2.427 20 30 EEEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537611 1323183828 /nfs/dbraw/zinc/18/38/28/1323183828.db2.gz TUQBJAFACFZJLK-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001206013008 1323369502 /nfs/dbraw/zinc/36/95/02/1323369502.db2.gz FSZZMDSKUZAZEK-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001206013008 1323369504 /nfs/dbraw/zinc/36/95/04/1323369504.db2.gz FSZZMDSKUZAZEK-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001650157455 1353750082 /nfs/dbraw/zinc/75/00/82/1353750082.db2.gz CLZVHDYEPHOYKX-MSOLQXFVSA-N 2 2 326.444 2.493 20 30 EEEDLP N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001650157455 1353750083 /nfs/dbraw/zinc/75/00/83/1353750083.db2.gz CLZVHDYEPHOYKX-MSOLQXFVSA-N 2 2 326.444 2.493 20 30 EEEDLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001376075807 1378284488 /nfs/dbraw/zinc/28/44/88/1378284488.db2.gz RUXFURSZUDRUTD-CJNGLKHVSA-N 2 2 334.489 2.041 20 30 EEEDLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001376075807 1378284494 /nfs/dbraw/zinc/28/44/94/1378284494.db2.gz RUXFURSZUDRUTD-CJNGLKHVSA-N 2 2 334.489 2.041 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001376409491 1378527543 /nfs/dbraw/zinc/52/75/43/1378527543.db2.gz FVKZCBZRCQSVOJ-HDICACEKSA-N 2 2 347.890 2.261 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001376409491 1378527547 /nfs/dbraw/zinc/52/75/47/1378527547.db2.gz FVKZCBZRCQSVOJ-HDICACEKSA-N 2 2 347.890 2.261 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001376409491 1378527556 /nfs/dbraw/zinc/52/75/56/1378527556.db2.gz FVKZCBZRCQSVOJ-HDICACEKSA-N 2 2 347.890 2.261 20 30 EEEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001391592379 1389457865 /nfs/dbraw/zinc/45/78/65/1389457865.db2.gz GXKHSTUXUIRVPT-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001391592379 1389457867 /nfs/dbraw/zinc/45/78/67/1389457867.db2.gz GXKHSTUXUIRVPT-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001391592379 1389457870 /nfs/dbraw/zinc/45/78/70/1389457870.db2.gz GXKHSTUXUIRVPT-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001391592379 1389457873 /nfs/dbraw/zinc/45/78/73/1389457873.db2.gz GXKHSTUXUIRVPT-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccc1C#N ZINC001401134551 1396965769 /nfs/dbraw/zinc/96/57/69/1396965769.db2.gz ADPJDKUMXHNVGI-GJZGRUSLSA-N 2 2 339.443 2.002 20 30 EEEDLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccccc1C#N ZINC001401134551 1396965774 /nfs/dbraw/zinc/96/57/74/1396965774.db2.gz ADPJDKUMXHNVGI-GJZGRUSLSA-N 2 2 339.443 2.002 20 30 EEEDLP C=C(C)CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCOCC1 ZINC001754740031 1406950436 /nfs/dbraw/zinc/95/04/36/1406950436.db2.gz 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GQCVPULFBXVBFF-DNVCBOLYSA-N 2 2 330.476 2.024 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181951594 800973709 /nfs/dbraw/zinc/97/37/09/800973709.db2.gz DXWFLPLMJSYCMC-GPMSIDNRSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004475949 802176005 /nfs/dbraw/zinc/17/60/05/802176005.db2.gz VWDGFHCTCCZAOD-IEBWSBKVSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004475949 802176008 /nfs/dbraw/zinc/17/60/08/802176008.db2.gz VWDGFHCTCCZAOD-IEBWSBKVSA-N 2 2 342.487 2.335 20 30 EEEDLP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004524408 802292787 /nfs/dbraw/zinc/29/27/87/802292787.db2.gz WZUBWVFVLCKTCI-QGZVFWFLSA-N 2 2 344.459 2.181 20 30 EEEDLP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004524408 802292793 /nfs/dbraw/zinc/29/27/93/802292793.db2.gz WZUBWVFVLCKTCI-QGZVFWFLSA-N 2 2 344.459 2.181 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004582778 802417242 /nfs/dbraw/zinc/41/72/42/802417242.db2.gz YGESSKMMYLQFOA-CRAIPNDOSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004582778 802417249 /nfs/dbraw/zinc/41/72/49/802417249.db2.gz YGESSKMMYLQFOA-CRAIPNDOSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004582778 802417254 /nfs/dbraw/zinc/41/72/54/802417254.db2.gz YGESSKMMYLQFOA-CRAIPNDOSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004582778 802417262 /nfs/dbraw/zinc/41/72/62/802417262.db2.gz YGESSKMMYLQFOA-CRAIPNDOSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649043 802604695 /nfs/dbraw/zinc/60/46/95/802604695.db2.gz KAXIWXLZFFVUDF-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649043 802604700 /nfs/dbraw/zinc/60/47/00/802604700.db2.gz KAXIWXLZFFVUDF-KURKYZTESA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CC[C@@H]2C1 ZINC000946652040 802635219 /nfs/dbraw/zinc/63/52/19/802635219.db2.gz LEQMHSLRPUPUOZ-YESZJQIVSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CC[C@@H]2C1 ZINC000946652040 802635221 /nfs/dbraw/zinc/63/52/21/802635221.db2.gz LEQMHSLRPUPUOZ-YESZJQIVSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CC[C@@H]2C1 ZINC000946652040 802635223 /nfs/dbraw/zinc/63/52/23/802635223.db2.gz LEQMHSLRPUPUOZ-YESZJQIVSA-N 2 2 342.487 2.179 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CC[C@@H]2C1 ZINC000946652040 802635225 /nfs/dbraw/zinc/63/52/25/802635225.db2.gz LEQMHSLRPUPUOZ-YESZJQIVSA-N 2 2 342.487 2.179 20 30 EEEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001108687203 804354089 /nfs/dbraw/zinc/35/40/89/804354089.db2.gz AWERKBKBDCPNRZ-JQHSSLGASA-N 2 2 336.439 2.249 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001108809225 804542052 /nfs/dbraw/zinc/54/20/52/804542052.db2.gz ZTMJVEJRNCWMGD-JZXOWHBKSA-N 2 2 330.476 2.288 20 30 EEEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464014 805504006 /nfs/dbraw/zinc/50/40/06/805504006.db2.gz HULINDVUVPWLCR-YVSFHVDLSA-N 2 2 328.460 2.133 20 30 EEEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464014 805504012 /nfs/dbraw/zinc/50/40/12/805504012.db2.gz HULINDVUVPWLCR-YVSFHVDLSA-N 2 2 328.460 2.133 20 30 EEEDLP CC(C)(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001442166396 1096427227 /nfs/dbraw/zinc/42/72/27/1096427227.db2.gz HORVXKJOBCSNQK-MRXNPFEDSA-N 2 2 339.443 2.145 20 30 EEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759085 216302486 /nfs/dbraw/zinc/30/24/86/216302486.db2.gz GSGNTIUHIRSWAF-IEBWSBKVSA-N 2 2 340.471 2.470 20 30 EEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759085 216302490 /nfs/dbraw/zinc/30/24/90/216302490.db2.gz GSGNTIUHIRSWAF-IEBWSBKVSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759085 216302494 /nfs/dbraw/zinc/30/24/94/216302494.db2.gz GSGNTIUHIRSWAF-IEBWSBKVSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759085 216302497 /nfs/dbraw/zinc/30/24/97/216302497.db2.gz GSGNTIUHIRSWAF-IEBWSBKVSA-N 2 2 340.471 2.470 20 30 EEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759086 216302516 /nfs/dbraw/zinc/30/25/16/216302516.db2.gz GSGNTIUHIRSWAF-PKOBYXMFSA-N 2 2 340.471 2.470 20 30 EEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759086 216302518 /nfs/dbraw/zinc/30/25/18/216302518.db2.gz GSGNTIUHIRSWAF-PKOBYXMFSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759086 216302519 /nfs/dbraw/zinc/30/25/19/216302519.db2.gz GSGNTIUHIRSWAF-PKOBYXMFSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072759086 216302522 /nfs/dbraw/zinc/30/25/22/216302522.db2.gz GSGNTIUHIRSWAF-PKOBYXMFSA-N 2 2 340.471 2.470 20 30 EEEDLP CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000328596906 258042415 /nfs/dbraw/zinc/04/24/15/258042415.db2.gz BKVCUBRSJKVDNQ-SFHVURJKSA-N 2 2 331.460 2.460 20 30 EEEDLP CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000328596906 258042416 /nfs/dbraw/zinc/04/24/16/258042416.db2.gz BKVCUBRSJKVDNQ-SFHVURJKSA-N 2 2 331.460 2.460 20 30 EEEDLP CCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000354969544 163036847 /nfs/dbraw/zinc/03/68/47/163036847.db2.gz QWLXFLAPUPOSFR-WOJBJXKFSA-N 2 2 343.471 2.306 20 30 EEEDLP C[C@@]1([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000564337875 319079646 /nfs/dbraw/zinc/07/96/46/319079646.db2.gz VPAXIUUNHQRORO-HXUWFJFHSA-N 2 2 346.438 2.355 20 30 EEEDLP C[C@@]1([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000564337875 319079648 /nfs/dbraw/zinc/07/96/48/319079648.db2.gz VPAXIUUNHQRORO-HXUWFJFHSA-N 2 2 346.438 2.355 20 30 EEEDLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ncc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000567479479 319384034 /nfs/dbraw/zinc/38/40/34/319384034.db2.gz MZFVPNXQYARDJU-HOTGVXAUSA-N 2 2 343.475 2.060 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129116207 462690299 /nfs/dbraw/zinc/69/02/99/462690299.db2.gz QSBSHAXOUFNULJ-QGPMSJSTSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129116207 462690304 /nfs/dbraw/zinc/69/03/04/462690304.db2.gz QSBSHAXOUFNULJ-QGPMSJSTSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129116207 462690309 /nfs/dbraw/zinc/69/03/09/462690309.db2.gz QSBSHAXOUFNULJ-QGPMSJSTSA-N 2 2 326.444 2.301 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129116207 462690312 /nfs/dbraw/zinc/69/03/12/462690312.db2.gz QSBSHAXOUFNULJ-QGPMSJSTSA-N 2 2 326.444 2.301 20 30 EEEDLP C=CC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000121501481 463146621 /nfs/dbraw/zinc/14/66/21/463146621.db2.gz GJSZQQYHNJSIPA-IBGZPJMESA-N 2 2 345.487 2.456 20 30 EEEDLP C=CC[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000121501481 463146626 /nfs/dbraw/zinc/14/66/26/463146626.db2.gz GJSZQQYHNJSIPA-IBGZPJMESA-N 2 2 345.487 2.456 20 30 EEEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000263277077 464076114 /nfs/dbraw/zinc/07/61/14/464076114.db2.gz QWUHAUNJQZHYBA-INIZCTEOSA-N 2 2 341.484 2.426 20 30 EEEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000263277077 464076118 /nfs/dbraw/zinc/07/61/18/464076118.db2.gz QWUHAUNJQZHYBA-INIZCTEOSA-N 2 2 341.484 2.426 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCC2(C#N)CCOCC2)cc1 ZINC000281486845 464473356 /nfs/dbraw/zinc/47/33/56/464473356.db2.gz XBGAWUWKZHOWKN-UHFFFAOYSA-N 2 2 344.459 2.486 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000568960109 468411682 /nfs/dbraw/zinc/41/16/82/468411682.db2.gz CXZMOBCZYAGSRL-RTBURBONSA-N 2 2 348.406 2.212 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000568960109 468411691 /nfs/dbraw/zinc/41/16/91/468411691.db2.gz CXZMOBCZYAGSRL-RTBURBONSA-N 2 2 348.406 2.212 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000175770654 464619454 /nfs/dbraw/zinc/61/94/54/464619454.db2.gz HRPMMIQSKDNZHC-LJQANCHMSA-N 2 2 331.891 2.403 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000175770654 464619468 /nfs/dbraw/zinc/61/94/68/464619468.db2.gz HRPMMIQSKDNZHC-LJQANCHMSA-N 2 2 331.891 2.403 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248215301 464738555 /nfs/dbraw/zinc/73/85/55/464738555.db2.gz ZNXAHJTYEGEUDL-ZACQAIPSSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248215301 464738561 /nfs/dbraw/zinc/73/85/61/464738561.db2.gz ZNXAHJTYEGEUDL-ZACQAIPSSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248215301 464738566 /nfs/dbraw/zinc/73/85/66/464738566.db2.gz ZNXAHJTYEGEUDL-ZACQAIPSSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248215301 464738572 /nfs/dbraw/zinc/73/85/72/464738572.db2.gz ZNXAHJTYEGEUDL-ZACQAIPSSA-N 2 2 332.492 2.134 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000330197971 465565492 /nfs/dbraw/zinc/56/54/92/465565492.db2.gz SONLRNYRGFHKJI-BFYDXBDKSA-N 2 2 343.475 2.061 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000330197971 465565500 /nfs/dbraw/zinc/56/55/00/465565500.db2.gz SONLRNYRGFHKJI-BFYDXBDKSA-N 2 2 343.475 2.061 20 30 EEEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000330197971 465565509 /nfs/dbraw/zinc/56/55/09/465565509.db2.gz SONLRNYRGFHKJI-BFYDXBDKSA-N 2 2 343.475 2.061 20 30 EEEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000330197971 465565513 /nfs/dbraw/zinc/56/55/13/465565513.db2.gz SONLRNYRGFHKJI-BFYDXBDKSA-N 2 2 343.475 2.061 20 30 EEEDLP Cc1nn(C)c(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)c1C#N ZINC000348439723 465606995 /nfs/dbraw/zinc/60/69/95/465606995.db2.gz QHDNGBLIOAISOJ-UHFFFAOYSA-N 2 2 338.459 2.058 20 30 EEEDLP CN(c1snc(Cl)c1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367502636 466380662 /nfs/dbraw/zinc/38/06/62/466380662.db2.gz KHQPGNGHEIURKF-LBPRGKRZSA-N 2 2 339.896 2.273 20 30 EEEDLP CN(c1snc(Cl)c1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367502636 466380671 /nfs/dbraw/zinc/38/06/71/466380671.db2.gz KHQPGNGHEIURKF-LBPRGKRZSA-N 2 2 339.896 2.273 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nn1 ZINC000424293795 467023473 /nfs/dbraw/zinc/02/34/73/467023473.db2.gz JJFSVEQNIHELOR-MISYRCLQSA-N 2 2 337.471 2.464 20 30 EEEDLP C=CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nn1 ZINC000424293795 467023478 /nfs/dbraw/zinc/02/34/78/467023478.db2.gz JJFSVEQNIHELOR-MISYRCLQSA-N 2 2 337.471 2.464 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378246406 467240856 /nfs/dbraw/zinc/24/08/56/467240856.db2.gz HHCXFQZACKGMAG-JENIJYKNSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378246406 467240861 /nfs/dbraw/zinc/24/08/61/467240861.db2.gz HHCXFQZACKGMAG-JENIJYKNSA-N 2 2 329.444 2.250 20 30 EEEDLP C=CC1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1 ZINC000430543405 467436519 /nfs/dbraw/zinc/43/65/19/467436519.db2.gz RJKXUBLJADECQB-IBGZPJMESA-N 2 2 338.455 2.226 20 30 EEEDLP C=C(C)C[C@H](C)C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000515177815 467978010 /nfs/dbraw/zinc/97/80/10/467978010.db2.gz RNPNCIPLHLQBIO-JKSUJKDBSA-N 2 2 330.476 2.493 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)cnc12 ZINC000567896504 468233031 /nfs/dbraw/zinc/23/30/31/468233031.db2.gz VNHAJTRTAZPJGI-LJQANCHMSA-N 2 2 346.438 2.355 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)cnc12 ZINC000567896504 468233034 /nfs/dbraw/zinc/23/30/34/468233034.db2.gz VNHAJTRTAZPJGI-LJQANCHMSA-N 2 2 346.438 2.355 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127365 468235231 /nfs/dbraw/zinc/23/52/31/468235231.db2.gz DOWZZGLWWQKCAA-HNAYVOBHSA-N 2 2 343.475 2.401 20 30 EEEDLP N#CCCN1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000601315140 468823546 /nfs/dbraw/zinc/82/35/46/468823546.db2.gz FSFJIUFAHHGLDH-UHFFFAOYSA-N 2 2 326.488 2.225 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc(N)s3)CC2)c1 ZINC000593323765 468939612 /nfs/dbraw/zinc/93/96/12/468939612.db2.gz WNWHAOLXRCTDOI-UHFFFAOYSA-N 2 2 327.457 2.351 20 30 EEEDLP N#Cc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718453 469021056 /nfs/dbraw/zinc/02/10/56/469021056.db2.gz HGMGNTATCTUMAV-SFHVURJKSA-N 2 2 329.444 2.124 20 30 EEEDLP N#Cc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718453 469021064 /nfs/dbraw/zinc/02/10/64/469021064.db2.gz HGMGNTATCTUMAV-SFHVURJKSA-N 2 2 329.444 2.124 20 30 EEEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000599430221 469252848 /nfs/dbraw/zinc/25/28/48/469252848.db2.gz PWAVFRQXDAMIKH-UHFFFAOYSA-N 2 2 341.440 2.218 20 30 EEEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000599430221 469252853 /nfs/dbraw/zinc/25/28/53/469252853.db2.gz PWAVFRQXDAMIKH-UHFFFAOYSA-N 2 2 341.440 2.218 20 30 EEEDLP CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000574819292 469280908 /nfs/dbraw/zinc/28/09/08/469280908.db2.gz BHAMSLYVHNDABR-MRXNPFEDSA-N 2 2 346.500 2.456 20 30 EEEDLP [NH3+]C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CC[C@H]1C(F)(F)F ZINC000629565985 469580972 /nfs/dbraw/zinc/58/09/72/469580972.db2.gz XLXBPKWMMYNYFU-DTWKUNHWSA-N 2 2 340.283 2.363 20 30 EEEDLP [NH3+]C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@H]1C(F)(F)F ZINC000629565985 469580967 /nfs/dbraw/zinc/58/09/67/469580967.db2.gz XLXBPKWMMYNYFU-DTWKUNHWSA-N 2 2 340.283 2.363 20 30 EEEDLP C=CC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661378584 471734154 /nfs/dbraw/zinc/73/41/54/471734154.db2.gz JNDYMEMDAGSQMA-GOSISDBHSA-N 2 2 342.487 2.408 20 30 EEEDLP C=CC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661378584 471734156 /nfs/dbraw/zinc/73/41/56/471734156.db2.gz JNDYMEMDAGSQMA-GOSISDBHSA-N 2 2 342.487 2.408 20 30 EEEDLP CC[C@@H](C)NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181587565 529361038 /nfs/dbraw/zinc/36/10/38/529361038.db2.gz UCVSSYYKUUDZGQ-MRXNPFEDSA-N 2 2 342.487 2.417 20 30 EEEDLP C#C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCCO1 ZINC000775573444 577439912 /nfs/dbraw/zinc/43/99/12/577439912.db2.gz YMHYBHQNBOWURS-PMACEKPBSA-N 2 2 327.472 2.492 20 30 EEEDLP CC(=[NH+]NC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(N2CCOCC2)cc1 ZINC000753938157 577796854 /nfs/dbraw/zinc/79/68/54/577796854.db2.gz IUJORWYGJWJNRC-HDICACEKSA-N 2 2 341.459 2.107 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000746495340 577928878 /nfs/dbraw/zinc/92/88/78/577928878.db2.gz ZMXCMNBUEHHXFI-UHFFFAOYSA-N 2 2 335.451 2.049 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000746495340 577928879 /nfs/dbraw/zinc/92/88/79/577928879.db2.gz ZMXCMNBUEHHXFI-UHFFFAOYSA-N 2 2 335.451 2.049 20 30 EEEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825883382 609473549 /nfs/dbraw/zinc/47/35/49/609473549.db2.gz GHXZPLMZPWLYGX-UHFFFAOYSA-N 2 2 342.794 2.427 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634314 676290180 /nfs/dbraw/zinc/29/01/80/676290180.db2.gz YFRHIZPDKIIQLA-IAGOWNOFSA-N 2 2 336.439 2.284 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634314 676290181 /nfs/dbraw/zinc/29/01/81/676290181.db2.gz YFRHIZPDKIIQLA-IAGOWNOFSA-N 2 2 336.439 2.284 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724086 676382760 /nfs/dbraw/zinc/38/27/60/676382760.db2.gz IZDPWNOBEFSYND-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021724086 676382762 /nfs/dbraw/zinc/38/27/62/676382762.db2.gz IZDPWNOBEFSYND-FUHWJXTLSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449336 679315074 /nfs/dbraw/zinc/31/50/74/679315074.db2.gz NPDKBQMRGFOPRQ-LSDHHAIUSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449336 679315076 /nfs/dbraw/zinc/31/50/76/679315076.db2.gz NPDKBQMRGFOPRQ-LSDHHAIUSA-N 2 2 336.867 2.026 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023601001 679406033 /nfs/dbraw/zinc/40/60/33/679406033.db2.gz MNEALTQVWLPHSU-GVDBMIGSSA-N 2 2 330.476 2.318 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023601001 679406034 /nfs/dbraw/zinc/40/60/34/679406034.db2.gz MNEALTQVWLPHSU-GVDBMIGSSA-N 2 2 330.476 2.318 20 30 EEEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC000992777194 683434368 /nfs/dbraw/zinc/43/43/68/683434368.db2.gz ZSNUHPXMWDZVOI-DFQSSKMNSA-N 2 2 348.450 2.336 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC000983922496 683802310 /nfs/dbraw/zinc/80/23/10/683802310.db2.gz GMJJWWYUIHOZDL-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC000983922496 683802316 /nfs/dbraw/zinc/80/23/16/683802316.db2.gz GMJJWWYUIHOZDL-BRSBDYLESA-N 2 2 349.438 2.069 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000989827022 692370029 /nfs/dbraw/zinc/37/00/29/692370029.db2.gz XDBNMVZGLSDCAB-HOCLYGCPSA-N 2 2 333.501 2.261 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000989827022 692370031 /nfs/dbraw/zinc/37/00/31/692370031.db2.gz XDBNMVZGLSDCAB-HOCLYGCPSA-N 2 2 333.501 2.261 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978364136 693529547 /nfs/dbraw/zinc/52/95/47/693529547.db2.gz DQMHVRSFIGIUIP-VQHPVUNQSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978364136 693529550 /nfs/dbraw/zinc/52/95/50/693529550.db2.gz DQMHVRSFIGIUIP-VQHPVUNQSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978364136 693529553 /nfs/dbraw/zinc/52/95/53/693529553.db2.gz DQMHVRSFIGIUIP-VQHPVUNQSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978364136 693529557 /nfs/dbraw/zinc/52/95/57/693529557.db2.gz DQMHVRSFIGIUIP-VQHPVUNQSA-N 2 2 342.487 2.083 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCCCC1 ZINC001482413424 1185645347 /nfs/dbraw/zinc/64/53/47/1185645347.db2.gz NSFQAOMTXGYINT-INIZCTEOSA-N 2 2 338.883 2.370 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093584 1193368869 /nfs/dbraw/zinc/36/88/69/1193368869.db2.gz STGVMCVGKROQIV-GOEBONIOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093584 1193368872 /nfs/dbraw/zinc/36/88/72/1193368872.db2.gz STGVMCVGKROQIV-GOEBONIOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093584 1193368877 /nfs/dbraw/zinc/36/88/77/1193368877.db2.gz STGVMCVGKROQIV-GOEBONIOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945093584 1193368880 /nfs/dbraw/zinc/36/88/80/1193368880.db2.gz STGVMCVGKROQIV-GOEBONIOSA-N 2 2 333.501 2.119 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001088353140 1186653967 /nfs/dbraw/zinc/65/39/67/1186653967.db2.gz RHAHVGMOAUGZFJ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001088353140 1186653970 /nfs/dbraw/zinc/65/39/70/1186653970.db2.gz RHAHVGMOAUGZFJ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088631576 1188018385 /nfs/dbraw/zinc/01/83/85/1188018385.db2.gz UQNKAGPWMWMLJR-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088631576 1188018390 /nfs/dbraw/zinc/01/83/90/1188018390.db2.gz UQNKAGPWMWMLJR-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088631576 1188018394 /nfs/dbraw/zinc/01/83/94/1188018394.db2.gz UQNKAGPWMWMLJR-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088631576 1188018398 /nfs/dbraw/zinc/01/83/98/1188018398.db2.gz UQNKAGPWMWMLJR-NEWSRXKRSA-N 2 2 331.504 2.243 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001105522186 1188146304 /nfs/dbraw/zinc/14/63/04/1188146304.db2.gz CYPSLAULYATXDF-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001105522186 1188146307 /nfs/dbraw/zinc/14/63/07/1188146307.db2.gz CYPSLAULYATXDF-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551584 1188167223 /nfs/dbraw/zinc/16/72/23/1188167223.db2.gz HGEQLMBVJRJIAM-GOSISDBHSA-N 2 2 342.487 2.438 20 30 EEEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584303 1188193060 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DPBZJZJXQDFSQO-MSOLQXFVSA-N 2 2 345.512 2.153 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC001014778348 1224336485 /nfs/dbraw/zinc/33/64/85/1224336485.db2.gz DPBZJZJXQDFSQO-MSOLQXFVSA-N 2 2 345.512 2.153 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001410929370 1198594027 /nfs/dbraw/zinc/59/40/27/1198594027.db2.gz PCDSLCHVLWPUDN-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001410929370 1198594030 /nfs/dbraw/zinc/59/40/30/1198594030.db2.gz PCDSLCHVLWPUDN-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001410929370 1198594035 /nfs/dbraw/zinc/59/40/35/1198594035.db2.gz PCDSLCHVLWPUDN-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001410929370 1198594038 /nfs/dbraw/zinc/59/40/38/1198594038.db2.gz PCDSLCHVLWPUDN-VQIMIIECSA-N 2 2 342.487 2.369 20 30 EEEDLP 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ZRSXQTISSRMJEX-VQTJNVASSA-N 2 2 342.487 2.005 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001050567908 1243858221 /nfs/dbraw/zinc/85/82/21/1243858221.db2.gz GTCQDQWLIXNLIZ-KRWDZBQOSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001050997595 1244819385 /nfs/dbraw/zinc/81/93/85/1244819385.db2.gz WLUFMMDMBHTSOL-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001050997595 1244819392 /nfs/dbraw/zinc/81/93/92/1244819392.db2.gz WLUFMMDMBHTSOL-KRWDZBQOSA-N 2 2 342.443 2.040 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053025996 1245701036 /nfs/dbraw/zinc/70/10/36/1245701036.db2.gz YPAPDXWNWZWKNI-ZWKOTPCHSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053025996 1245701043 /nfs/dbraw/zinc/70/10/43/1245701043.db2.gz YPAPDXWNWZWKNI-ZWKOTPCHSA-N 2 2 342.487 2.316 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001053035345 1245731214 /nfs/dbraw/zinc/73/12/14/1245731214.db2.gz ZKBOLAMDCDMCEU-ZWKOTPCHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001053035345 1245731224 /nfs/dbraw/zinc/73/12/24/1245731224.db2.gz ZKBOLAMDCDMCEU-ZWKOTPCHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)O2 ZINC001053621691 1246546356 /nfs/dbraw/zinc/54/63/56/1246546356.db2.gz JEBAUBRBUFSQSB-ROUUACIJSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)O2 ZINC001053621691 1246546360 /nfs/dbraw/zinc/54/63/60/1246546360.db2.gz JEBAUBRBUFSQSB-ROUUACIJSA-N 2 2 349.519 2.033 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)O2 ZINC001053646708 1246583898 /nfs/dbraw/zinc/58/38/98/1246583898.db2.gz CRPGBKVRVFWQEB-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)O2 ZINC001053646708 1246583905 /nfs/dbraw/zinc/58/39/05/1246583905.db2.gz CRPGBKVRVFWQEB-ROUUACIJSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001054154813 1247549475 /nfs/dbraw/zinc/54/94/75/1247549475.db2.gz HLCYKDXCCTXTLO-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001054154813 1247549483 /nfs/dbraw/zinc/54/94/83/1247549483.db2.gz HLCYKDXCCTXTLO-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001052594746 1247632279 /nfs/dbraw/zinc/63/22/79/1247632279.db2.gz NFBHBCUBJJKCKO-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001052594746 1247632291 /nfs/dbraw/zinc/63/22/91/1247632291.db2.gz NFBHBCUBJJKCKO-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001052594746 1247632303 /nfs/dbraw/zinc/63/23/03/1247632303.db2.gz NFBHBCUBJJKCKO-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001052594746 1247632311 /nfs/dbraw/zinc/63/23/11/1247632311.db2.gz NFBHBCUBJJKCKO-RBUKOAKNSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCOCC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183077 1289347033 /nfs/dbraw/zinc/34/70/33/1289347033.db2.gz SVKRDFKEBPHJLP-SFHVURJKSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629312 1294699339 /nfs/dbraw/zinc/69/93/39/1294699339.db2.gz XTCWDBRHXXZYEL-HUUCEWRRSA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629312 1294699347 /nfs/dbraw/zinc/69/93/47/1294699347.db2.gz XTCWDBRHXXZYEL-HUUCEWRRSA-N 2 2 334.464 2.285 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216184933 1297096717 /nfs/dbraw/zinc/09/67/17/1297096717.db2.gz FBIAUABBEDMHQL-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216719 1297243173 /nfs/dbraw/zinc/24/31/73/1297243173.db2.gz RJFDFTCFZMQZKQ-IAGOWNOFSA-N 2 2 336.439 2.284 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC001099556614 1299218995 /nfs/dbraw/zinc/21/89/95/1299218995.db2.gz NOMXBLNMIWSZIS-OKYOBFRVSA-N 2 2 342.487 2.408 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCn1cc[nH+]c1 ZINC001099556614 1299219001 /nfs/dbraw/zinc/21/90/01/1299219001.db2.gz NOMXBLNMIWSZIS-OKYOBFRVSA-N 2 2 342.487 2.408 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792653 1303894039 /nfs/dbraw/zinc/89/40/39/1303894039.db2.gz JAHKSCCOYXUUHH-UWVAXJGDSA-N 2 2 342.487 2.382 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792653 1303894040 /nfs/dbraw/zinc/89/40/40/1303894040.db2.gz JAHKSCCOYXUUHH-UWVAXJGDSA-N 2 2 342.487 2.382 20 30 EEEDLP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680182 1304215453 /nfs/dbraw/zinc/21/54/53/1304215453.db2.gz YUBSLHQKKRBWBH-UHFFFAOYSA-N 2 2 330.476 2.113 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(C)cc2C)CC1 ZINC001233009130 1304324742 /nfs/dbraw/zinc/32/47/42/1304324742.db2.gz KTYUVVGGTQWYHM-UHFFFAOYSA-N 2 2 328.504 2.490 20 30 EEEDLP N#Cc1ccccc1OC1C[NH+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001237178503 1305823905 /nfs/dbraw/zinc/82/39/05/1305823905.db2.gz DRCIUJQZQOSODB-UHFFFAOYSA-N 2 2 348.450 2.231 20 30 EEEDLP CCc1cc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)ccc1C#N ZINC001238773639 1308951688 /nfs/dbraw/zinc/95/16/88/1308951688.db2.gz CGEPWMQNCPPOJY-UHFFFAOYSA-N 2 2 331.460 2.437 20 30 EEEDLP CCc1cc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)ccc1C#N ZINC001238773639 1308951689 /nfs/dbraw/zinc/95/16/89/1308951689.db2.gz CGEPWMQNCPPOJY-UHFFFAOYSA-N 2 2 331.460 2.437 20 30 EEEDLP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001162946966 1320993554 /nfs/dbraw/zinc/99/35/54/1320993554.db2.gz VIDSZKCPNCYNHH-UHFFFAOYSA-N 2 2 346.862 2.366 20 30 EEEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149869057 1316073302 /nfs/dbraw/zinc/07/33/02/1316073302.db2.gz PYFIKLUFXUWTJY-ZWKOTPCHSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001149869057 1316073306 /nfs/dbraw/zinc/07/33/06/1316073306.db2.gz PYFIKLUFXUWTJY-ZWKOTPCHSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149881806 1316077167 /nfs/dbraw/zinc/07/71/67/1316077167.db2.gz SPNKTHXPCUOTDE-QGZVFWFLSA-N 2 2 348.491 2.100 20 30 EEEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149881806 1316077173 /nfs/dbraw/zinc/07/71/73/1316077173.db2.gz SPNKTHXPCUOTDE-QGZVFWFLSA-N 2 2 348.491 2.100 20 30 EEEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153488 1318440415 /nfs/dbraw/zinc/44/04/15/1318440415.db2.gz KTDFTSWAQBKHNU-SJLPKXTDSA-N 2 2 332.492 2.477 20 30 EEEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153488 1318440417 /nfs/dbraw/zinc/44/04/17/1318440417.db2.gz KTDFTSWAQBKHNU-SJLPKXTDSA-N 2 2 332.492 2.477 20 30 EEEDLP C#CCCN1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC001256600768 1318797475 /nfs/dbraw/zinc/79/74/75/1318797475.db2.gz FOCMGTFUEHECIA-FQEVSTJZSA-N 2 2 339.483 2.255 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCCC)C[C@H]1C ZINC001207583001 1324039444 /nfs/dbraw/zinc/03/94/44/1324039444.db2.gz JGKBDADOQGJVQS-QRVBRYPASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@H]1C ZINC001207583001 1324039450 /nfs/dbraw/zinc/03/94/50/1324039450.db2.gz JGKBDADOQGJVQS-QRVBRYPASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCCC)C[C@H]1C ZINC001207583001 1324039455 /nfs/dbraw/zinc/03/94/55/1324039455.db2.gz JGKBDADOQGJVQS-QRVBRYPASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCCC)C[C@H]1C ZINC001207583001 1324039462 /nfs/dbraw/zinc/03/94/62/1324039462.db2.gz JGKBDADOQGJVQS-QRVBRYPASA-N 2 2 333.520 2.491 20 30 EEEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387326 1324467896 /nfs/dbraw/zinc/46/78/96/1324467896.db2.gz QRNKYXFITFPRLA-MSOLQXFVSA-N 2 2 348.491 2.254 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001209213683 1324856711 /nfs/dbraw/zinc/85/67/11/1324856711.db2.gz UPCMDHUOUUDZSW-IEBWSBKVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001209213683 1324856712 /nfs/dbraw/zinc/85/67/12/1324856712.db2.gz UPCMDHUOUUDZSW-IEBWSBKVSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339108255 1336960549 /nfs/dbraw/zinc/96/05/49/1336960549.db2.gz CTHMWJMHQLETCL-SJORKVTESA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339108255 1336960551 /nfs/dbraw/zinc/96/05/51/1336960551.db2.gz CTHMWJMHQLETCL-SJORKVTESA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440240 1338376259 /nfs/dbraw/zinc/37/62/59/1338376259.db2.gz OUGNBXKIUOAOQO-HPUBIQBYSA-N 2 2 331.460 2.472 20 30 EEEDLP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001755357560 1407355883 /nfs/dbraw/zinc/35/58/83/1407355883.db2.gz GKJJBHQPWUGXOP-QAPCUYQASA-N 2 2 345.491 2.078 20 30 EEEDLP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001755357560 1407355890 /nfs/dbraw/zinc/35/58/90/1407355890.db2.gz GKJJBHQPWUGXOP-QAPCUYQASA-N 2 2 345.491 2.078 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001100720006 1410700218 /nfs/dbraw/zinc/70/02/18/1410700218.db2.gz CIJCNRVYBOXZOA-UHFFFAOYSA-N 2 2 349.519 2.082 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208926268 757242183 /nfs/dbraw/zinc/24/21/83/757242183.db2.gz DGHPFGSRGLGDDJ-NHCUHLMSSA-N 2 2 349.482 2.288 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208926268 757242193 /nfs/dbraw/zinc/24/21/93/757242193.db2.gz DGHPFGSRGLGDDJ-NHCUHLMSSA-N 2 2 349.482 2.288 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208926268 757242202 /nfs/dbraw/zinc/24/22/02/757242202.db2.gz DGHPFGSRGLGDDJ-NHCUHLMSSA-N 2 2 349.482 2.288 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208926268 757242207 /nfs/dbraw/zinc/24/22/07/757242207.db2.gz DGHPFGSRGLGDDJ-NHCUHLMSSA-N 2 2 349.482 2.288 20 30 EEEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202631 758233055 /nfs/dbraw/zinc/23/30/55/758233055.db2.gz NFRJXKIAWBKIPL-HOTGVXAUSA-N 2 2 330.476 2.336 20 30 EEEDLP C[C@H](CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC001167432389 759355247 /nfs/dbraw/zinc/35/52/47/759355247.db2.gz PLFRAJDRCCZYJH-MRXNPFEDSA-N 2 2 342.418 2.121 20 30 EEEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345770 759610602 /nfs/dbraw/zinc/61/06/02/759610602.db2.gz SIWWQTXMKHQKCG-HZPDHXFCSA-N 2 2 331.460 2.283 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075451547 760485239 /nfs/dbraw/zinc/48/52/39/760485239.db2.gz XBXJQQJLRSLKMZ-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075451547 760485246 /nfs/dbraw/zinc/48/52/46/760485246.db2.gz XBXJQQJLRSLKMZ-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001024448691 761361432 /nfs/dbraw/zinc/36/14/32/761361432.db2.gz VTBZNZDACNGYTI-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001024448691 761361441 /nfs/dbraw/zinc/36/14/41/761361441.db2.gz VTBZNZDACNGYTI-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448691 761361452 /nfs/dbraw/zinc/36/14/52/761361452.db2.gz VTBZNZDACNGYTI-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001024448691 761361463 /nfs/dbraw/zinc/36/14/63/761361463.db2.gz VTBZNZDACNGYTI-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424707 769016471 /nfs/dbraw/zinc/01/64/71/769016471.db2.gz XPAPHTJDIRSCTC-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424707 769016480 /nfs/dbraw/zinc/01/64/80/769016480.db2.gz XPAPHTJDIRSCTC-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214244 783068390 /nfs/dbraw/zinc/06/83/90/783068390.db2.gz CUKWKCLPXZJFCG-CEXWTWQISA-N 2 2 342.487 2.041 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214244 783068394 /nfs/dbraw/zinc/06/83/94/783068394.db2.gz CUKWKCLPXZJFCG-CEXWTWQISA-N 2 2 342.487 2.041 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979988907 773668146 /nfs/dbraw/zinc/66/81/46/773668146.db2.gz POAJWWGRAQPHSX-OKZBNKHCSA-N 2 2 342.487 2.167 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979988907 773668150 /nfs/dbraw/zinc/66/81/50/773668150.db2.gz POAJWWGRAQPHSX-OKZBNKHCSA-N 2 2 342.487 2.167 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC=C ZINC001089654231 773869363 /nfs/dbraw/zinc/86/93/63/773869363.db2.gz VXOMSNORXAGNKF-MSOLQXFVSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC=C ZINC001089654231 773869365 /nfs/dbraw/zinc/86/93/65/773869365.db2.gz VXOMSNORXAGNKF-MSOLQXFVSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC=C ZINC001089654231 773869368 /nfs/dbraw/zinc/86/93/68/773869368.db2.gz VXOMSNORXAGNKF-MSOLQXFVSA-N 2 2 331.504 2.267 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC=C ZINC001089654231 773869371 /nfs/dbraw/zinc/86/93/71/773869371.db2.gz VXOMSNORXAGNKF-MSOLQXFVSA-N 2 2 331.504 2.267 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820711 776949479 /nfs/dbraw/zinc/94/94/79/776949479.db2.gz OGUUPOKJMOBPAY-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820711 776949484 /nfs/dbraw/zinc/94/94/84/776949484.db2.gz OGUUPOKJMOBPAY-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820711 776949491 /nfs/dbraw/zinc/94/94/91/776949491.db2.gz OGUUPOKJMOBPAY-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820711 776949497 /nfs/dbraw/zinc/94/94/97/776949497.db2.gz OGUUPOKJMOBPAY-AITUJVMLSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997649791 790533737 /nfs/dbraw/zinc/53/37/37/790533737.db2.gz SXFPCTSXOOYIBK-DOTOQJQBSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296638 783407744 /nfs/dbraw/zinc/40/77/44/783407744.db2.gz WSDHPADNTBXXDW-HOTGVXAUSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296638 783407748 /nfs/dbraw/zinc/40/77/48/783407748.db2.gz WSDHPADNTBXXDW-HOTGVXAUSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001088336519 783552754 /nfs/dbraw/zinc/55/27/54/783552754.db2.gz GMAVBLBMNLVVFK-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170896462 785234220 /nfs/dbraw/zinc/23/42/20/785234220.db2.gz XDOKFYFIXLVIQW-INIZCTEOSA-N 2 2 330.476 2.050 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001006087864 789580067 /nfs/dbraw/zinc/58/00/67/789580067.db2.gz RGFDHAHSVPREIG-UHFFFAOYSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089912100 790000009 /nfs/dbraw/zinc/00/00/09/790000009.db2.gz SSZBXCVNFSGXJJ-MLHJIOFPSA-N 2 2 328.460 2.018 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089912100 790000017 /nfs/dbraw/zinc/00/00/17/790000017.db2.gz SSZBXCVNFSGXJJ-MLHJIOFPSA-N 2 2 328.460 2.018 20 30 EEEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458826 791281362 /nfs/dbraw/zinc/28/13/62/791281362.db2.gz QBYMGVLIEXHBRY-UHFFFAOYSA-N 2 2 344.418 2.243 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088952359 791715815 /nfs/dbraw/zinc/71/58/15/791715815.db2.gz LYCZKVWWTUQIRV-ZBFHGGJFSA-N 2 2 327.900 2.438 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088952359 791715823 /nfs/dbraw/zinc/71/58/23/791715823.db2.gz LYCZKVWWTUQIRV-ZBFHGGJFSA-N 2 2 327.900 2.438 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934080 793072553 /nfs/dbraw/zinc/07/25/53/793072553.db2.gz GVXLTAGJFJKTRZ-INIZCTEOSA-N 2 2 330.476 2.242 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959651 793107958 /nfs/dbraw/zinc/10/79/58/793107958.db2.gz NOIOWDFDTFTZIO-HNNXBMFYSA-N 2 2 336.867 2.339 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001079878230 795312303 /nfs/dbraw/zinc/31/23/03/795312303.db2.gz NISSNNLRMDDAAD-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001079878230 795312309 /nfs/dbraw/zinc/31/23/09/795312309.db2.gz NISSNNLRMDDAAD-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079878230 795312316 /nfs/dbraw/zinc/31/23/16/795312316.db2.gz NISSNNLRMDDAAD-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079878230 795312324 /nfs/dbraw/zinc/31/23/24/795312324.db2.gz NISSNNLRMDDAAD-RLLQIKCJSA-N 2 2 345.531 2.491 20 30 EEEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC001093598917 795438992 /nfs/dbraw/zinc/43/89/92/795438992.db2.gz KIVRFZBQRCVKAE-IAGOWNOFSA-N 2 2 349.519 2.127 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001081213629 796673482 /nfs/dbraw/zinc/67/34/82/796673482.db2.gz IBEXJQHREUQCJH-RBUKOAKNSA-N 2 2 338.455 2.123 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994263629 797657642 /nfs/dbraw/zinc/65/76/42/797657642.db2.gz DIPYBUDTPHXXFF-HIFRSBDPSA-N 2 2 336.867 2.483 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994263629 797657646 /nfs/dbraw/zinc/65/76/46/797657646.db2.gz DIPYBUDTPHXXFF-HIFRSBDPSA-N 2 2 336.867 2.483 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994263649 797657737 /nfs/dbraw/zinc/65/77/37/797657737.db2.gz DIPYBUDTPHXXFF-ZFWWWQNUSA-N 2 2 336.867 2.483 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994263649 797657741 /nfs/dbraw/zinc/65/77/41/797657741.db2.gz DIPYBUDTPHXXFF-ZFWWWQNUSA-N 2 2 336.867 2.483 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994404585 797955807 /nfs/dbraw/zinc/95/58/07/797955807.db2.gz FUJXAQATRGQFMK-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994404585 797955812 /nfs/dbraw/zinc/95/58/12/797955812.db2.gz FUJXAQATRGQFMK-VQIMIIECSA-N 2 2 340.471 2.123 20 30 EEEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176000758 798313063 /nfs/dbraw/zinc/31/30/63/798313063.db2.gz SKBLWKCSIJLZMP-INIZCTEOSA-N 2 2 339.443 2.169 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001179021776 799727216 /nfs/dbraw/zinc/72/72/16/799727216.db2.gz CRRFUXWYXLRMAK-BPUTZDHNSA-N 2 2 330.476 2.368 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001179021776 799727218 /nfs/dbraw/zinc/72/72/18/799727218.db2.gz CRRFUXWYXLRMAK-BPUTZDHNSA-N 2 2 330.476 2.368 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179558559 799992315 /nfs/dbraw/zinc/99/23/15/799992315.db2.gz YXCBPDKRYWFNIH-MRXNPFEDSA-N 2 2 348.491 2.298 20 30 EEEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181952005 800973633 /nfs/dbraw/zinc/97/36/33/800973633.db2.gz NJUCIQJHFIMCMG-MBOZVWFJSA-N 2 2 344.503 2.486 20 30 EEEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651934 802117121 /nfs/dbraw/zinc/11/71/21/802117121.db2.gz IZDAFENOCPBLEK-DOTOQJQBSA-N 2 2 330.476 2.024 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144247 802366595 /nfs/dbraw/zinc/36/65/95/802366595.db2.gz ULRYCBVPSSRAED-CVEARBPZSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144247 802366601 /nfs/dbraw/zinc/36/66/01/802366601.db2.gz ULRYCBVPSSRAED-CVEARBPZSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144247 802366603 /nfs/dbraw/zinc/36/66/03/802366603.db2.gz ULRYCBVPSSRAED-CVEARBPZSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144247 802366607 /nfs/dbraw/zinc/36/66/07/802366607.db2.gz ULRYCBVPSSRAED-CVEARBPZSA-N 2 2 327.900 2.250 20 30 EEEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001108807673 804539775 /nfs/dbraw/zinc/53/97/75/804539775.db2.gz INSACXVIIAAUCJ-BQFCYCMXSA-N 2 2 330.476 2.288 20 30 EEEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001112862513 807477260 /nfs/dbraw/zinc/47/72/60/807477260.db2.gz OIDBKXSVNYDYGI-QZTJIDSGSA-N 2 2 342.487 2.264 20 30 EEEDLP CC(C)(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001449312648 1094267039 /nfs/dbraw/zinc/26/70/39/1094267039.db2.gz FTVORTQJGHDJAI-OAHLLOKOSA-N 2 2 345.472 2.206 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001444828143 1099774010 /nfs/dbraw/zinc/77/40/10/1099774010.db2.gz JHYAKUIENJWKBI-LSDHHAIUSA-N 2 2 338.883 2.322 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001505820207 1114213887 /nfs/dbraw/zinc/21/38/87/1114213887.db2.gz MJRVUHMNMSENQP-CQSZACIVSA-N 2 2 338.883 2.272 20 30 EEEDLP CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001505841751 1114227338 /nfs/dbraw/zinc/22/73/38/1114227338.db2.gz MKQQEQGWZFVTPN-UHFFFAOYSA-N 2 2 339.443 2.098 20 30 EEEDLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344331642 161218012 /nfs/dbraw/zinc/21/80/12/161218012.db2.gz PGVXQXCRIQZVKO-MOPGFXCFSA-N 2 2 340.471 2.027 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cn2ccccc2c1C#N ZINC000374421954 167039641 /nfs/dbraw/zinc/03/96/41/167039641.db2.gz QBBUUYKPPRWXEC-AHRSYUTCSA-N 2 2 338.455 2.494 20 30 EEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn2ccccc2c1C#N ZINC000374421954 167039643 /nfs/dbraw/zinc/03/96/43/167039643.db2.gz QBBUUYKPPRWXEC-AHRSYUTCSA-N 2 2 338.455 2.494 20 30 EEEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000329060907 465221327 /nfs/dbraw/zinc/22/13/27/465221327.db2.gz URMMRGGHLOQEPJ-OAHLLOKOSA-N 2 2 333.480 2.097 20 30 EEEDLP Cc1ncc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000065610565 462810671 /nfs/dbraw/zinc/81/06/71/462810671.db2.gz LLTNHIJBHVJLNB-UHFFFAOYSA-N 2 2 346.456 2.121 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150783728 463428000 /nfs/dbraw/zinc/42/80/00/463428000.db2.gz LFETYJCGKAQXSF-DOTOQJQBSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150783728 463428004 /nfs/dbraw/zinc/42/80/04/463428004.db2.gz LFETYJCGKAQXSF-DOTOQJQBSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@@H](NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136850 464286536 /nfs/dbraw/zinc/28/65/36/464286536.db2.gz ZZXMNQOIRGKGTM-PWSUYJOCSA-N 2 2 345.274 2.289 20 30 EEEDLP C[C@@H](NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136850 464286541 /nfs/dbraw/zinc/28/65/41/464286541.db2.gz ZZXMNQOIRGKGTM-PWSUYJOCSA-N 2 2 345.274 2.289 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000265351849 464528011 /nfs/dbraw/zinc/52/80/11/464528011.db2.gz XRXVFPPDGZLXSU-KRWDZBQOSA-N 2 2 349.425 2.029 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215297 464738706 /nfs/dbraw/zinc/73/87/06/464738706.db2.gz ZNXAHJTYEGEUDL-IKGGRYGDSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215297 464738709 /nfs/dbraw/zinc/73/87/09/464738709.db2.gz ZNXAHJTYEGEUDL-IKGGRYGDSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248215297 464738714 /nfs/dbraw/zinc/73/87/14/464738714.db2.gz ZNXAHJTYEGEUDL-IKGGRYGDSA-N 2 2 332.492 2.134 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248215297 464738717 /nfs/dbraw/zinc/73/87/17/464738717.db2.gz ZNXAHJTYEGEUDL-IKGGRYGDSA-N 2 2 332.492 2.134 20 30 EEEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182970587 464767469 /nfs/dbraw/zinc/76/74/69/464767469.db2.gz WILSLJARQLUYSJ-GOSISDBHSA-N 2 2 337.427 2.272 20 30 EEEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182970587 464767475 /nfs/dbraw/zinc/76/74/75/464767475.db2.gz WILSLJARQLUYSJ-GOSISDBHSA-N 2 2 337.427 2.272 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC000343171806 465485578 /nfs/dbraw/zinc/48/55/78/465485578.db2.gz IKMGPHFOWPFGNZ-SJLPKXTDSA-N 2 2 330.476 2.260 20 30 EEEDLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000329482447 465349033 /nfs/dbraw/zinc/34/90/33/465349033.db2.gz PXBHTZTZGSEESO-KRWDZBQOSA-N 2 2 346.475 2.286 20 30 EEEDLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000329482447 465349038 /nfs/dbraw/zinc/34/90/38/465349038.db2.gz PXBHTZTZGSEESO-KRWDZBQOSA-N 2 2 346.475 2.286 20 30 EEEDLP CN(C(=O)CCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000360402282 465563553 /nfs/dbraw/zinc/56/35/53/465563553.db2.gz VKDLWXUMMQNSFK-ROUUACIJSA-N 2 2 334.508 2.476 20 30 EEEDLP CN(C(=O)CCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000360402282 465563557 /nfs/dbraw/zinc/56/35/57/465563557.db2.gz VKDLWXUMMQNSFK-ROUUACIJSA-N 2 2 334.508 2.476 20 30 EEEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000591571028 468484554 /nfs/dbraw/zinc/48/45/54/468484554.db2.gz WQXAYWILVXGQRL-DJIMGWMZSA-N 2 2 346.450 2.023 20 30 EEEDLP C[C@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862104 469125884 /nfs/dbraw/zinc/12/58/84/469125884.db2.gz LBIMBODHRNIDIM-PBHICJAKSA-N 2 2 348.878 2.485 20 30 EEEDLP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160046749 526379953 /nfs/dbraw/zinc/37/99/53/526379953.db2.gz HIGDOZQYTVFCLW-BLLLJJGKSA-N 2 2 330.436 2.146 20 30 EEEDLP N#CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127954 577513606 /nfs/dbraw/zinc/51/36/06/577513606.db2.gz GGQAMJODDTUGTH-RBUKOAKNSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127954 577513607 /nfs/dbraw/zinc/51/36/07/577513607.db2.gz GGQAMJODDTUGTH-RBUKOAKNSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127954 577513608 /nfs/dbraw/zinc/51/36/08/577513608.db2.gz GGQAMJODDTUGTH-RBUKOAKNSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127954 577513609 /nfs/dbraw/zinc/51/36/09/577513609.db2.gz GGQAMJODDTUGTH-RBUKOAKNSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCn1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccccc2c1=O ZINC000746454627 577927968 /nfs/dbraw/zinc/92/79/68/577927968.db2.gz VWVAZWWUTKYNRL-CQSZACIVSA-N 2 2 348.410 2.023 20 30 EEEDLP N#CCn1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccccc2c1=O ZINC000746454627 577927969 /nfs/dbraw/zinc/92/79/69/577927969.db2.gz VWVAZWWUTKYNRL-CQSZACIVSA-N 2 2 348.410 2.023 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2cccc3ccccc32)CC1 ZINC000748812148 577967094 /nfs/dbraw/zinc/96/70/94/577967094.db2.gz HGUBQTOYWYGNTQ-UHFFFAOYSA-N 2 2 349.478 2.092 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2cccc3ccccc32)CC1 ZINC000748812148 577967095 /nfs/dbraw/zinc/96/70/95/577967095.db2.gz HGUBQTOYWYGNTQ-UHFFFAOYSA-N 2 2 349.478 2.092 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180186 678361988 /nfs/dbraw/zinc/36/19/88/678361988.db2.gz WABJJLDWFKPKJB-ZBFHGGJFSA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180186 678361990 /nfs/dbraw/zinc/36/19/90/678361990.db2.gz WABJJLDWFKPKJB-ZBFHGGJFSA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001023380644 679280503 /nfs/dbraw/zinc/28/05/03/679280503.db2.gz DSMASTCFPHKGNU-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001023380644 679280505 /nfs/dbraw/zinc/28/05/05/679280505.db2.gz DSMASTCFPHKGNU-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380644 679280507 /nfs/dbraw/zinc/28/05/07/679280507.db2.gz DSMASTCFPHKGNU-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001023380644 679280508 /nfs/dbraw/zinc/28/05/08/679280508.db2.gz DSMASTCFPHKGNU-MAUKXSAKSA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001028553675 681903740 /nfs/dbraw/zinc/90/37/40/681903740.db2.gz LKBMDDLFSMZSBT-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001028553675 681903743 /nfs/dbraw/zinc/90/37/43/681903743.db2.gz LKBMDDLFSMZSBT-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028553675 681903745 /nfs/dbraw/zinc/90/37/45/681903745.db2.gz LKBMDDLFSMZSBT-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028553675 681903749 /nfs/dbraw/zinc/90/37/49/681903749.db2.gz LKBMDDLFSMZSBT-QAPCUYQASA-N 2 2 345.491 2.194 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755212 682103741 /nfs/dbraw/zinc/10/37/41/682103741.db2.gz ISQNINNDBPYWPE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755212 682103744 /nfs/dbraw/zinc/10/37/44/682103744.db2.gz ISQNINNDBPYWPE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001028755212 682103749 /nfs/dbraw/zinc/10/37/49/682103749.db2.gz ISQNINNDBPYWPE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001028755212 682103753 /nfs/dbraw/zinc/10/37/53/682103753.db2.gz ISQNINNDBPYWPE-HKUYNNGSSA-N 2 2 349.519 2.034 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421932 682727007 /nfs/dbraw/zinc/72/70/07/682727007.db2.gz FVNSWPSHOCDGMU-WMZOPIPTSA-N 2 2 338.455 2.496 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025421932 682727009 /nfs/dbraw/zinc/72/70/09/682727009.db2.gz FVNSWPSHOCDGMU-WMZOPIPTSA-N 2 2 338.455 2.496 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000992852540 683596417 /nfs/dbraw/zinc/59/64/17/683596417.db2.gz IHLRDDZVHCLUQU-BZUAXINKSA-N 2 2 330.476 2.480 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000104866386 693890946 /nfs/dbraw/zinc/89/09/46/693890946.db2.gz ZGBDLDINPCIWOL-LJQANCHMSA-N 2 2 327.472 2.237 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027695797 694010099 /nfs/dbraw/zinc/01/00/99/694010099.db2.gz JQDMJDIAGMYOSO-MSOLQXFVSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027695797 694010104 /nfs/dbraw/zinc/01/01/04/694010104.db2.gz JQDMJDIAGMYOSO-MSOLQXFVSA-N 2 2 330.476 2.183 20 30 EEEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105568217 1188182266 /nfs/dbraw/zinc/18/22/66/1188182266.db2.gz IVZXDBMXFUKRMY-AEFFLSMTSA-N 2 2 342.487 2.363 20 30 EEEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105568217 1188182268 /nfs/dbraw/zinc/18/22/68/1188182268.db2.gz IVZXDBMXFUKRMY-AEFFLSMTSA-N 2 2 342.487 2.363 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811357 1188551982 /nfs/dbraw/zinc/55/19/82/1188551982.db2.gz YJVJDMOTVXMBFU-PMPSAXMXSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088811357 1188551984 /nfs/dbraw/zinc/55/19/84/1188551984.db2.gz YJVJDMOTVXMBFU-PMPSAXMXSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088811357 1188551986 /nfs/dbraw/zinc/55/19/86/1188551986.db2.gz YJVJDMOTVXMBFU-PMPSAXMXSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088811357 1188551989 /nfs/dbraw/zinc/55/19/89/1188551989.db2.gz YJVJDMOTVXMBFU-PMPSAXMXSA-N 2 2 327.900 2.440 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034138112 1195810394 /nfs/dbraw/zinc/81/03/94/1195810394.db2.gz NSXFTRPLUXOMAT-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001034138112 1195810399 /nfs/dbraw/zinc/81/03/99/1195810399.db2.gz NSXFTRPLUXOMAT-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001034138112 1195810403 /nfs/dbraw/zinc/81/04/03/1195810403.db2.gz NSXFTRPLUXOMAT-YOEHRIQHSA-N 2 2 346.500 2.185 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC001014771103 1224321486 /nfs/dbraw/zinc/32/14/86/1224321486.db2.gz VQBILDLBGCWZEP-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC001014771103 1224321494 /nfs/dbraw/zinc/32/14/94/1224321494.db2.gz VQBILDLBGCWZEP-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001014771103 1224321503 /nfs/dbraw/zinc/32/15/03/1224321503.db2.gz VQBILDLBGCWZEP-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001014771103 1224321511 /nfs/dbraw/zinc/32/15/11/1224321511.db2.gz VQBILDLBGCWZEP-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234140 1199413546 /nfs/dbraw/zinc/41/35/46/1199413546.db2.gz CQWFSDWFKBAJSU-NWDGAFQWSA-N 2 2 343.269 2.124 20 30 EEEDLP COc1ccc([C@H](CNC(=[NH2+])N2CCCCCC2)[NH+](C)C)cc1OC ZINC000125881408 1199596211 /nfs/dbraw/zinc/59/62/11/1199596211.db2.gz JKZISDHESSRYHG-INIZCTEOSA-N 2 2 348.491 2.497 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132838531 1200080576 /nfs/dbraw/zinc/08/05/76/1200080576.db2.gz DSWCZXLBNRIHPC-SJORKVTESA-N 2 2 344.503 2.412 20 30 EEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001095661775 1205906301 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N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001020296521 1229610686 /nfs/dbraw/zinc/61/06/86/1229610686.db2.gz ULCVJAHJAZNFNS-QAQDUYKDSA-N 2 2 345.406 2.485 20 30 EEEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001038320493 1229742640 /nfs/dbraw/zinc/74/26/40/1229742640.db2.gz IFDBZLGARHXTGM-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001038320493 1229742643 /nfs/dbraw/zinc/74/26/43/1229742643.db2.gz IFDBZLGARHXTGM-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038320493 1229742645 /nfs/dbraw/zinc/74/26/45/1229742645.db2.gz IFDBZLGARHXTGM-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038320493 1229742647 /nfs/dbraw/zinc/74/26/47/1229742647.db2.gz IFDBZLGARHXTGM-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(CC)c1 ZINC001038368776 1229772895 /nfs/dbraw/zinc/77/28/95/1229772895.db2.gz RPTAILKXVLARAO-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(CC)c1 ZINC001038368776 1229772897 /nfs/dbraw/zinc/77/28/97/1229772897.db2.gz RPTAILKXVLARAO-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(CC)c1 ZINC001038368776 1229772900 /nfs/dbraw/zinc/77/29/00/1229772900.db2.gz RPTAILKXVLARAO-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(CC)c1 ZINC001038368776 1229772903 /nfs/dbraw/zinc/77/29/03/1229772903.db2.gz RPTAILKXVLARAO-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001039211551 1230439112 /nfs/dbraw/zinc/43/91/12/1230439112.db2.gz FSFIBGAKBIQYLR-CRAIPNDOSA-N 2 2 346.475 2.239 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001039211551 1230439114 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C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001111781105 1303875966 /nfs/dbraw/zinc/87/59/66/1303875966.db2.gz CIRVVGRHBMBEKN-MKSNKDDYSA-N 2 2 328.460 2.450 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001111781105 1303875974 /nfs/dbraw/zinc/87/59/74/1303875974.db2.gz CIRVVGRHBMBEKN-MKSNKDDYSA-N 2 2 328.460 2.450 20 30 EEEDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ccc(C#N)cc4C3)cn2)CC1 ZINC001232360129 1304093044 /nfs/dbraw/zinc/09/30/44/1304093044.db2.gz BJTPQFAEPBIOQO-UHFFFAOYSA-N 2 2 347.466 2.263 20 30 EEEDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccc(C#N)cc4C3)cn2)CC1 ZINC001232360129 1304093050 /nfs/dbraw/zinc/09/30/50/1304093050.db2.gz BJTPQFAEPBIOQO-UHFFFAOYSA-N 2 2 347.466 2.263 20 30 EEEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235064691 1305102611 /nfs/dbraw/zinc/10/26/11/1305102611.db2.gz SVXDRZWKQXJJHY-NRFANRHFSA-N 2 2 348.450 2.488 20 30 EEEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235064691 1305102614 /nfs/dbraw/zinc/10/26/14/1305102614.db2.gz SVXDRZWKQXJJHY-NRFANRHFSA-N 2 2 348.450 2.488 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458254 1309554300 /nfs/dbraw/zinc/55/43/00/1309554300.db2.gz DLKJSLDEFIGLHR-RBUKOAKNSA-N 2 2 342.487 2.390 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120458254 1309554310 /nfs/dbraw/zinc/55/43/10/1309554310.db2.gz DLKJSLDEFIGLHR-RBUKOAKNSA-N 2 2 342.487 2.390 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001202946895 1314752181 /nfs/dbraw/zinc/75/21/81/1314752181.db2.gz CVYUGXXPEPFBGX-MRXNPFEDSA-N 2 2 337.508 2.033 20 30 EEEDLP C[N@H+](CCO[NH+]=C(N)c1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000842034942 1315652954 /nfs/dbraw/zinc/65/29/54/1315652954.db2.gz FTPVXNPMQUNBAE-UHFFFAOYSA-N 2 2 325.412 2.390 20 30 EEEDLP C[N@@H+](CCO[NH+]=C(N)c1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000842034942 1315652959 /nfs/dbraw/zinc/65/29/59/1315652959.db2.gz FTPVXNPMQUNBAE-UHFFFAOYSA-N 2 2 325.412 2.390 20 30 EEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001156335651 1317970092 /nfs/dbraw/zinc/97/00/92/1317970092.db2.gz NOCWFXPRLQAEPP-OAHLLOKOSA-N 2 2 327.432 2.284 20 30 EEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001156335651 1317970093 /nfs/dbraw/zinc/97/00/93/1317970093.db2.gz NOCWFXPRLQAEPP-OAHLLOKOSA-N 2 2 327.432 2.284 20 30 EEEDLP N#C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001254664503 1318161466 /nfs/dbraw/zinc/16/14/66/1318161466.db2.gz WCWQKRPHFZENMV-BRWVUGGUSA-N 2 2 326.444 2.491 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205446035 1323137544 /nfs/dbraw/zinc/13/75/44/1323137544.db2.gz RLVALXDUTSHMBP-DLBZAZTESA-N 2 2 342.418 2.252 20 30 EEEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238793 1323435997 /nfs/dbraw/zinc/43/59/97/1323435997.db2.gz YNSUGAZYVSKLOE-CQSZACIVSA-N 2 2 336.867 2.410 20 30 EEEDLP C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207481301 1323989822 /nfs/dbraw/zinc/98/98/22/1323989822.db2.gz ASSOTOBQLXHQKI-SFHVURJKSA-N 2 2 347.507 2.132 20 30 EEEDLP C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207481301 1323989824 /nfs/dbraw/zinc/98/98/24/1323989824.db2.gz ASSOTOBQLXHQKI-SFHVURJKSA-N 2 2 347.507 2.132 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738171 1324645764 /nfs/dbraw/zinc/64/57/64/1324645764.db2.gz KNPHXGCIJJZSLD-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738171 1324645770 /nfs/dbraw/zinc/64/57/70/1324645770.db2.gz KNPHXGCIJJZSLD-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977315 1325117356 /nfs/dbraw/zinc/11/73/56/1325117356.db2.gz GVWKSYVCMLDDMT-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977315 1325117363 /nfs/dbraw/zinc/11/73/63/1325117363.db2.gz GVWKSYVCMLDDMT-CRAIPNDOSA-N 2 2 339.443 2.284 20 30 EEEDLP N#Cc1ccccc1C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001378711610 1380162581 /nfs/dbraw/zinc/16/25/81/1380162581.db2.gz YLOSWFRQYHYWJN-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001755187875 1407194072 /nfs/dbraw/zinc/19/40/72/1407194072.db2.gz RZAZLIRHUYARHE-UYAOXDASSA-N 2 2 338.455 2.301 20 30 EEEDLP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001755530385 1407595844 /nfs/dbraw/zinc/59/58/44/1407595844.db2.gz BVAFTZUALPNFNG-INIZCTEOSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001755530385 1407595850 /nfs/dbraw/zinc/59/58/50/1407595850.db2.gz BVAFTZUALPNFNG-INIZCTEOSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[NH2+]C1CC(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001755863289 1407915205 /nfs/dbraw/zinc/91/52/05/1407915205.db2.gz QOCHRKCSACVIAU-UHFFFAOYSA-N 2 2 326.444 2.340 20 30 EEEDLP C[C@H](CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001167432335 759355582 /nfs/dbraw/zinc/35/55/82/759355582.db2.gz NOMMQUALVBSWOP-OAHLLOKOSA-N 2 2 325.416 2.002 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@@H]21 ZINC001087296251 761512648 /nfs/dbraw/zinc/51/26/48/761512648.db2.gz WJOWXFKEORPPMC-ZTFGCOKTSA-N 2 2 336.439 2.186 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@@H]21 ZINC001087296251 761512653 /nfs/dbraw/zinc/51/26/53/761512653.db2.gz WJOWXFKEORPPMC-ZTFGCOKTSA-N 2 2 336.439 2.186 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699401 764779242 /nfs/dbraw/zinc/77/92/42/764779242.db2.gz QFCQIAKYIITSMX-QBPKDAKJSA-N 2 2 330.476 2.174 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488499 769780446 /nfs/dbraw/zinc/78/04/46/769780446.db2.gz UVWVZOZFALIDBZ-HZPDHXFCSA-N 2 2 342.487 2.460 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488499 769780456 /nfs/dbraw/zinc/78/04/56/769780456.db2.gz UVWVZOZFALIDBZ-HZPDHXFCSA-N 2 2 342.487 2.460 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652938 773856162 /nfs/dbraw/zinc/85/61/62/773856162.db2.gz LZRRRHMKJLIFHS-ARFHVFGLSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652938 773856166 /nfs/dbraw/zinc/85/61/66/773856166.db2.gz LZRRRHMKJLIFHS-ARFHVFGLSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652938 773856170 /nfs/dbraw/zinc/85/61/70/773856170.db2.gz LZRRRHMKJLIFHS-ARFHVFGLSA-N 2 2 328.460 2.143 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652938 773856173 /nfs/dbraw/zinc/85/61/73/773856173.db2.gz LZRRRHMKJLIFHS-ARFHVFGLSA-N 2 2 328.460 2.143 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660413 774042404 /nfs/dbraw/zinc/04/24/04/774042404.db2.gz JIEBWNSKWMRWPZ-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089660413 774042413 /nfs/dbraw/zinc/04/24/13/774042413.db2.gz JIEBWNSKWMRWPZ-IAGOWNOFSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001031742521 774206001 /nfs/dbraw/zinc/20/60/01/774206001.db2.gz JCBXHVJIEIPKQD-BEFAXECRSA-N 2 2 343.446 2.032 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001031742521 774206005 /nfs/dbraw/zinc/20/60/05/774206005.db2.gz JCBXHVJIEIPKQD-BEFAXECRSA-N 2 2 343.446 2.032 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027944105 774780628 /nfs/dbraw/zinc/78/06/28/774780628.db2.gz UQTFHRJZAJVOPT-MSOLQXFVSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027944105 774780632 /nfs/dbraw/zinc/78/06/32/774780632.db2.gz UQTFHRJZAJVOPT-MSOLQXFVSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001027944105 774780636 /nfs/dbraw/zinc/78/06/36/774780636.db2.gz UQTFHRJZAJVOPT-MSOLQXFVSA-N 2 2 331.504 2.101 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001027944105 774780640 /nfs/dbraw/zinc/78/06/40/774780640.db2.gz UQTFHRJZAJVOPT-MSOLQXFVSA-N 2 2 331.504 2.101 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324903 777173537 /nfs/dbraw/zinc/17/35/37/777173537.db2.gz WRTFMFNORKEHCN-MRXNPFEDSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324903 777173542 /nfs/dbraw/zinc/17/35/42/777173542.db2.gz WRTFMFNORKEHCN-MRXNPFEDSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324903 777173546 /nfs/dbraw/zinc/17/35/46/777173546.db2.gz WRTFMFNORKEHCN-MRXNPFEDSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324903 777173550 /nfs/dbraw/zinc/17/35/50/777173550.db2.gz WRTFMFNORKEHCN-MRXNPFEDSA-N 2 2 327.900 2.251 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981804211 778232142 /nfs/dbraw/zinc/23/21/42/778232142.db2.gz KKISDHIUKGKWHX-MRXNPFEDSA-N 2 2 327.900 2.395 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981804211 778232144 /nfs/dbraw/zinc/23/21/44/778232144.db2.gz KKISDHIUKGKWHX-MRXNPFEDSA-N 2 2 327.900 2.395 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981804211 778232147 /nfs/dbraw/zinc/23/21/47/778232147.db2.gz KKISDHIUKGKWHX-MRXNPFEDSA-N 2 2 327.900 2.395 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981804211 778232150 /nfs/dbraw/zinc/23/21/50/778232150.db2.gz KKISDHIUKGKWHX-MRXNPFEDSA-N 2 2 327.900 2.395 20 30 EEEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000997697813 790771328 /nfs/dbraw/zinc/77/13/28/790771328.db2.gz PBFASDVNLNKQSX-INIZCTEOSA-N 2 2 336.439 2.336 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088860179 790849183 /nfs/dbraw/zinc/84/91/83/790849183.db2.gz YQODYPJOUUFEOA-VBQJREDUSA-N 2 2 346.500 2.041 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1Cc1ccc(C#N)s1 ZINC001088860179 790849197 /nfs/dbraw/zinc/84/91/97/790849197.db2.gz YQODYPJOUUFEOA-VBQJREDUSA-N 2 2 346.500 2.041 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088860179 790849213 /nfs/dbraw/zinc/84/92/13/790849213.db2.gz YQODYPJOUUFEOA-VBQJREDUSA-N 2 2 346.500 2.041 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088860179 790849224 /nfs/dbraw/zinc/84/92/24/790849224.db2.gz YQODYPJOUUFEOA-VBQJREDUSA-N 2 2 346.500 2.041 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338528 783558543 /nfs/dbraw/zinc/55/85/43/783558543.db2.gz IAIDPDFKPQRLPT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338528 783558551 /nfs/dbraw/zinc/55/85/51/783558551.db2.gz IAIDPDFKPQRLPT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035740478 785054350 /nfs/dbraw/zinc/05/43/50/785054350.db2.gz IHMHVWVZFQKDGM-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000817918200 785070481 /nfs/dbraw/zinc/07/04/81/785070481.db2.gz JXSHLEWAZWTNPB-BHIYHBOVSA-N 2 2 329.444 2.224 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896117 785233036 /nfs/dbraw/zinc/23/30/36/785233036.db2.gz URUFKDOEGALSEB-CRAIPNDOSA-N 2 2 345.491 2.078 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896117 785233046 /nfs/dbraw/zinc/23/30/46/785233046.db2.gz URUFKDOEGALSEB-CRAIPNDOSA-N 2 2 345.491 2.078 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995976700 785883691 /nfs/dbraw/zinc/88/36/91/785883691.db2.gz DMZXRAGUMQQIDA-RHSMWYFYSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995976700 785883699 /nfs/dbraw/zinc/88/36/99/785883699.db2.gz DMZXRAGUMQQIDA-RHSMWYFYSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996279852 786210346 /nfs/dbraw/zinc/21/03/46/786210346.db2.gz VSSGQQKFYAJQOX-TZMCWYRMSA-N 2 2 336.867 2.409 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)cc1 ZINC001109580817 805711803 /nfs/dbraw/zinc/71/18/03/805711803.db2.gz VVNCHGOTWYSBBY-QYZOEREBSA-N 2 2 349.438 2.067 20 30 EEEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)cc1 ZINC001109580817 805711807 /nfs/dbraw/zinc/71/18/07/805711807.db2.gz VVNCHGOTWYSBBY-QYZOEREBSA-N 2 2 349.438 2.067 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000996619755 786848339 /nfs/dbraw/zinc/84/83/39/786848339.db2.gz KLQOYRSFFDTZJM-UHFFFAOYSA-N 2 2 336.867 2.095 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610142 787898893 /nfs/dbraw/zinc/89/88/93/787898893.db2.gz PPTVDFBLGHSWCX-IEBWSBKVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610142 787898901 /nfs/dbraw/zinc/89/89/01/787898901.db2.gz PPTVDFBLGHSWCX-IEBWSBKVSA-N 2 2 330.476 2.290 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477038 789031855 /nfs/dbraw/zinc/03/18/55/789031855.db2.gz WOGOBQKGLRIEPA-TXPKVOOTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477038 789031866 /nfs/dbraw/zinc/03/18/66/789031866.db2.gz WOGOBQKGLRIEPA-TXPKVOOTSA-N 2 2 328.460 2.135 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(OC)c1 ZINC000923288342 789316561 /nfs/dbraw/zinc/31/65/61/789316561.db2.gz IYGATRJCVMKYID-CGTJXYLNSA-N 2 2 348.487 2.223 20 30 EEEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(OC)c1 ZINC000923288342 789316570 /nfs/dbraw/zinc/31/65/70/789316570.db2.gz IYGATRJCVMKYID-CGTJXYLNSA-N 2 2 348.487 2.223 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998048050 791879507 /nfs/dbraw/zinc/87/95/07/791879507.db2.gz UEGAKUYFMVWZER-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998048050 791879513 /nfs/dbraw/zinc/87/95/13/791879513.db2.gz UEGAKUYFMVWZER-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147958588 792086209 /nfs/dbraw/zinc/08/62/09/792086209.db2.gz HWNCHBKTXYWUJP-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147958588 792086221 /nfs/dbraw/zinc/08/62/21/792086221.db2.gz HWNCHBKTXYWUJP-MRXNPFEDSA-N 2 2 330.476 2.242 20 30 EEEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945545 793042036 /nfs/dbraw/zinc/04/20/36/793042036.db2.gz DOKKQOHUTQWGDP-DLBZAZTESA-N 2 2 328.460 2.170 20 30 EEEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@H]12 ZINC000992393110 793937477 /nfs/dbraw/zinc/93/74/77/793937477.db2.gz CDPPOPSSEIBZOS-AZUAARDMSA-N 2 2 349.438 2.017 20 30 EEEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@H]12 ZINC000992393110 793937484 /nfs/dbraw/zinc/93/74/84/793937484.db2.gz CDPPOPSSEIBZOS-AZUAARDMSA-N 2 2 349.438 2.017 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)cc1 ZINC000992528048 794512199 /nfs/dbraw/zinc/51/21/99/794512199.db2.gz GEFGFEKXDQQWDR-QUCCMNQESA-N 2 2 349.438 2.068 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777362 794960007 /nfs/dbraw/zinc/96/00/07/794960007.db2.gz AIQZRLKGQDITBN-LSDHHAIUSA-N 2 2 336.867 2.028 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777362 794960015 /nfs/dbraw/zinc/96/00/15/794960015.db2.gz AIQZRLKGQDITBN-LSDHHAIUSA-N 2 2 336.867 2.028 20 30 EEEDLP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379508 795117515 /nfs/dbraw/zinc/11/75/15/795117515.db2.gz ATTDJZJGZFZROZ-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379508 795117523 /nfs/dbraw/zinc/11/75/23/795117523.db2.gz ATTDJZJGZFZROZ-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC#Cc3ccccc3)ccn12 ZINC001127292840 795223048 /nfs/dbraw/zinc/22/30/48/795223048.db2.gz MQMMZSIUWVFGGV-UHFFFAOYSA-N 2 2 332.407 2.014 20 30 EEEDLP C=C(C)C[NH+]1CCC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001994408 797440502 /nfs/dbraw/zinc/44/05/02/797440502.db2.gz JHAGWSZPRJRCKT-UHFFFAOYSA-N 2 2 339.443 2.285 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638524 798174477 /nfs/dbraw/zinc/17/44/77/798174477.db2.gz QVABADVWZVJDRD-HZPDHXFCSA-N 2 2 336.480 2.056 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638524 798174484 /nfs/dbraw/zinc/17/44/84/798174484.db2.gz QVABADVWZVJDRD-HZPDHXFCSA-N 2 2 336.480 2.056 20 30 EEEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175888681 798262416 /nfs/dbraw/zinc/26/24/16/798262416.db2.gz ILZGQRJWHVBFBM-HNNXBMFYSA-N 2 2 339.443 2.289 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728487 798539719 /nfs/dbraw/zinc/53/97/19/798539719.db2.gz KRHGJLPQUFJWQM-INIZCTEOSA-N 2 2 347.528 2.394 20 30 EEEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728487 798539721 /nfs/dbraw/zinc/53/97/21/798539721.db2.gz KRHGJLPQUFJWQM-INIZCTEOSA-N 2 2 347.528 2.394 20 30 EEEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810766 798581520 /nfs/dbraw/zinc/58/15/20/798581520.db2.gz OPXZOYHKJVCYCE-KRWDZBQOSA-N 2 2 336.480 2.131 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811723 799633032 /nfs/dbraw/zinc/63/30/32/799633032.db2.gz ZXSUCGPWIVNWLV-UHFFFAOYSA-N 2 2 349.475 2.102 20 30 EEEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852520 799653146 /nfs/dbraw/zinc/65/31/46/799653146.db2.gz UCNRMATWKXASSL-HNNXBMFYSA-N 2 2 338.883 2.464 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001085646507 800965807 /nfs/dbraw/zinc/96/58/07/800965807.db2.gz DYXYQJKGYGHNGV-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001085646507 800965811 /nfs/dbraw/zinc/96/58/11/800965811.db2.gz DYXYQJKGYGHNGV-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1csc(C)c1 ZINC001085646507 800965814 /nfs/dbraw/zinc/96/58/14/800965814.db2.gz DYXYQJKGYGHNGV-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1csc(C)c1 ZINC001085646507 800965819 /nfs/dbraw/zinc/96/58/19/800965819.db2.gz DYXYQJKGYGHNGV-MSOLQXFVSA-N 2 2 345.512 2.187 20 30 EEEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183304112 801554513 /nfs/dbraw/zinc/55/45/13/801554513.db2.gz IQXNLXRJSJWOGI-VQIMIIECSA-N 2 2 332.492 2.393 20 30 EEEDLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001184211528 801930808 /nfs/dbraw/zinc/93/08/08/801930808.db2.gz URSYKYYVUKAHAT-GOSISDBHSA-N 2 2 344.418 2.190 20 30 EEEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651935 802116909 /nfs/dbraw/zinc/11/69/09/802116909.db2.gz IZDAFENOCPBLEK-NVXWUHKLSA-N 2 2 330.476 2.024 20 30 EEEDLP N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004468573 802151237 /nfs/dbraw/zinc/15/12/37/802151237.db2.gz HLWIVQIRCFKEGK-GOSISDBHSA-N 2 2 344.503 2.089 20 30 EEEDLP N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004468573 802151241 /nfs/dbraw/zinc/15/12/41/802151241.db2.gz HLWIVQIRCFKEGK-GOSISDBHSA-N 2 2 344.503 2.089 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004618988 802496576 /nfs/dbraw/zinc/49/65/76/802496576.db2.gz IWIJJDJCXYFDAV-OALUTQOASA-N 2 2 346.519 2.333 20 30 EEEDLP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCC1 ZINC001004618988 802496582 /nfs/dbraw/zinc/49/65/82/802496582.db2.gz IWIJJDJCXYFDAV-OALUTQOASA-N 2 2 346.519 2.333 20 30 EEEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[NH+]1C ZINC001438888496 1091532840 /nfs/dbraw/zinc/53/28/40/1091532840.db2.gz AVXRWKMJCRAPRP-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[NH+]1C ZINC001438888496 1091532849 /nfs/dbraw/zinc/53/28/49/1091532849.db2.gz AVXRWKMJCRAPRP-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001438888496 1091532853 /nfs/dbraw/zinc/53/28/53/1091532853.db2.gz AVXRWKMJCRAPRP-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP CN(CC[NH+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001438888496 1091532863 /nfs/dbraw/zinc/53/28/63/1091532863.db2.gz AVXRWKMJCRAPRP-SFHVURJKSA-N 2 2 346.450 2.072 20 30 EEEDLP Cc1cc(C#N)cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000456012921 244131384 /nfs/dbraw/zinc/13/13/84/244131384.db2.gz WFWJTJGWJCMAQM-UHFFFAOYSA-N 2 2 343.475 2.356 20 30 EEEDLP Cc1cc(C#N)cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000456012921 244131387 /nfs/dbraw/zinc/13/13/87/244131387.db2.gz WFWJTJGWJCMAQM-UHFFFAOYSA-N 2 2 343.475 2.356 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629502 781974836 /nfs/dbraw/zinc/97/48/36/781974836.db2.gz SIOPNVHAESAOHP-IXDOHACOSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629502 781974842 /nfs/dbraw/zinc/97/48/42/781974842.db2.gz SIOPNVHAESAOHP-IXDOHACOSA-N 2 2 330.476 2.381 20 30 EEEDLP C#CCNC(=O)CC[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000491731150 533163655 /nfs/dbraw/zinc/16/36/55/533163655.db2.gz APNDJWVDEKZXDU-KRWDZBQOSA-N 2 2 327.472 2.379 20 30 EEEDLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000374246596 154017087 /nfs/dbraw/zinc/01/70/87/154017087.db2.gz ZFPRSAXKUTXIHI-UHFFFAOYSA-N 2 2 340.471 2.155 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000069442914 463247677 /nfs/dbraw/zinc/24/76/77/463247677.db2.gz POYAZCRVGCDYMZ-UHFFFAOYSA-N 2 2 327.432 2.092 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150809272 463431621 /nfs/dbraw/zinc/43/16/21/463431621.db2.gz IIRMXTHLIACSDX-DLBZAZTESA-N 2 2 332.492 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150809272 463431626 /nfs/dbraw/zinc/43/16/26/463431626.db2.gz IIRMXTHLIACSDX-DLBZAZTESA-N 2 2 332.492 2.135 20 30 EEEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150859883 463441961 /nfs/dbraw/zinc/44/19/61/463441961.db2.gz UEUBKPIEPQKAGP-SFHVURJKSA-N 2 2 340.471 2.351 20 30 EEEDLP N#CCCN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150859883 463441967 /nfs/dbraw/zinc/44/19/67/463441967.db2.gz UEUBKPIEPQKAGP-SFHVURJKSA-N 2 2 340.471 2.351 20 30 EEEDLP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262007343 463924033 /nfs/dbraw/zinc/92/40/33/463924033.db2.gz VXIHWKDGJBJTKZ-DYVFJYSZSA-N 2 2 344.463 2.189 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245845983 464519146 /nfs/dbraw/zinc/51/91/46/464519146.db2.gz JIFBFPOMZGSGLX-ROUUACIJSA-N 2 2 334.508 2.335 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245845983 464519150 /nfs/dbraw/zinc/51/91/50/464519150.db2.gz JIFBFPOMZGSGLX-ROUUACIJSA-N 2 2 334.508 2.335 20 30 EEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000246900596 464631218 /nfs/dbraw/zinc/63/12/18/464631218.db2.gz RKOGIAWBYRVJJP-WMZOPIPTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000246900596 464631221 /nfs/dbraw/zinc/63/12/21/464631221.db2.gz RKOGIAWBYRVJJP-WMZOPIPTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000246900596 464631223 /nfs/dbraw/zinc/63/12/23/464631223.db2.gz RKOGIAWBYRVJJP-WMZOPIPTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000246900596 464631227 /nfs/dbraw/zinc/63/12/27/464631227.db2.gz RKOGIAWBYRVJJP-WMZOPIPTSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000246900567 464631796 /nfs/dbraw/zinc/63/17/96/464631796.db2.gz RKOGIAWBYRVJJP-FUHWJXTLSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000246900567 464631800 /nfs/dbraw/zinc/63/18/00/464631800.db2.gz RKOGIAWBYRVJJP-FUHWJXTLSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000246900567 464631807 /nfs/dbraw/zinc/63/18/07/464631807.db2.gz RKOGIAWBYRVJJP-FUHWJXTLSA-N 2 2 344.503 2.278 20 30 EEEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000246900567 464631815 /nfs/dbraw/zinc/63/18/15/464631815.db2.gz RKOGIAWBYRVJJP-FUHWJXTLSA-N 2 2 344.503 2.278 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCc4c[nH]nc4C3)CC2)CC1 ZINC000329811352 465441545 /nfs/dbraw/zinc/44/15/45/465441545.db2.gz MSJMQKQZCJCORB-AWEZNQCLSA-N 2 2 345.491 2.030 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553285 465580323 /nfs/dbraw/zinc/58/03/23/465580323.db2.gz RHQSPPVPZJCLOW-YJBOKZPZSA-N 2 2 333.501 2.337 20 30 EEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553285 465580332 /nfs/dbraw/zinc/58/03/32/465580332.db2.gz RHQSPPVPZJCLOW-YJBOKZPZSA-N 2 2 333.501 2.337 20 30 EEEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H](c2ccccc2)C1 ZINC000330282309 465598868 /nfs/dbraw/zinc/59/88/68/465598868.db2.gz VGAXTYUQOLBNLY-SJORKVTESA-N 2 2 339.443 2.101 20 30 EEEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H](c2ccccc2)C1 ZINC000330282309 465598874 /nfs/dbraw/zinc/59/88/74/465598874.db2.gz VGAXTYUQOLBNLY-SJORKVTESA-N 2 2 339.443 2.101 20 30 EEEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@@H](C)O1 ZINC000349386405 466093899 /nfs/dbraw/zinc/09/38/99/466093899.db2.gz SKWTUJSMCRUYNW-HZPDHXFCSA-N 2 2 347.459 2.241 20 30 EEEDLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000369196273 466718177 /nfs/dbraw/zinc/71/81/77/466718177.db2.gz FALFFXSWLOOAGL-IBGZPJMESA-N 2 2 340.471 2.107 20 30 EEEDLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000369196273 466718179 /nfs/dbraw/zinc/71/81/79/466718179.db2.gz FALFFXSWLOOAGL-IBGZPJMESA-N 2 2 340.471 2.107 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334450 467977147 /nfs/dbraw/zinc/97/71/47/467977147.db2.gz VJNWIRZIJHYYQY-ROUUACIJSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334450 467977150 /nfs/dbraw/zinc/97/71/50/467977150.db2.gz VJNWIRZIJHYYQY-ROUUACIJSA-N 2 2 346.519 2.381 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000575861757 468154947 /nfs/dbraw/zinc/15/49/47/468154947.db2.gz IJJCVFKPXSWYSL-SZVBFZGTSA-N 2 2 330.472 2.370 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000575861757 468154952 /nfs/dbraw/zinc/15/49/52/468154952.db2.gz IJJCVFKPXSWYSL-SZVBFZGTSA-N 2 2 330.472 2.370 20 30 EEEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000570397629 468633328 /nfs/dbraw/zinc/63/33/28/468633328.db2.gz OZZFWEHQMCQSJV-UHFFFAOYSA-N 2 2 348.410 2.348 20 30 EEEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595484279 468872067 /nfs/dbraw/zinc/87/20/67/468872067.db2.gz PGPLGNZNKKJBAC-INIZCTEOSA-N 2 2 349.450 2.242 20 30 EEEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595484279 468872074 /nfs/dbraw/zinc/87/20/74/468872074.db2.gz PGPLGNZNKKJBAC-INIZCTEOSA-N 2 2 349.450 2.242 20 30 EEEDLP CN(C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507808 468881973 /nfs/dbraw/zinc/88/19/73/468881973.db2.gz QZMRSQSJGVWRDC-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507808 468881979 /nfs/dbraw/zinc/88/19/79/468881979.db2.gz QZMRSQSJGVWRDC-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507808 468881981 /nfs/dbraw/zinc/88/19/81/468881981.db2.gz QZMRSQSJGVWRDC-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000595507808 468881987 /nfs/dbraw/zinc/88/19/87/468881987.db2.gz QZMRSQSJGVWRDC-SFHVURJKSA-N 2 2 332.492 2.089 20 30 EEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000562478101 468965292 /nfs/dbraw/zinc/96/52/92/468965292.db2.gz VHVUBVFWZAJYIM-MRXNPFEDSA-N 2 2 329.444 2.122 20 30 EEEDLP COc1nccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593693106 469098201 /nfs/dbraw/zinc/09/82/01/469098201.db2.gz PGAUCYZWOYWXEZ-UHFFFAOYSA-N 2 2 337.427 2.111 20 30 EEEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573957212 469237432 /nfs/dbraw/zinc/23/74/32/469237432.db2.gz SERRQMXKNRZPIG-FQEVSTJZSA-N 2 2 344.503 2.333 20 30 EEEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573957212 469237438 /nfs/dbraw/zinc/23/74/38/469237438.db2.gz SERRQMXKNRZPIG-FQEVSTJZSA-N 2 2 344.503 2.333 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC[C@H]3CCOC3)CC2)cc1 ZINC000611438391 469249978 /nfs/dbraw/zinc/24/99/78/469249978.db2.gz AYJITMAFNIOKLD-IBGZPJMESA-N 2 2 343.471 2.165 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000365413474 526603619 /nfs/dbraw/zinc/60/36/19/526603619.db2.gz YBVYTHBDUWWMGU-UHFFFAOYSA-N 2 2 326.448 2.007 20 30 EEEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000104156033 529072417 /nfs/dbraw/zinc/07/24/17/529072417.db2.gz PSVOFBANFBRRNU-MRXNPFEDSA-N 3 2 342.491 2.123 20 30 EEEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000104156033 529072421 /nfs/dbraw/zinc/07/24/21/529072421.db2.gz PSVOFBANFBRRNU-MRXNPFEDSA-N 3 2 342.491 2.123 20 30 EEEDLP CC(=[NH+]NC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(N2CCOCC2)cc1 ZINC000753938159 577796770 /nfs/dbraw/zinc/79/67/70/577796770.db2.gz IUJORWYGJWJNRC-QZTJIDSGSA-N 2 2 341.459 2.107 20 30 EEEDLP CCN(CCO)c1ccc(C=[NH+]NC2=[NH+][C@@H]3CCCC[C@H]3N2)c(C)c1 ZINC000753937698 577796774 /nfs/dbraw/zinc/79/67/74/577796774.db2.gz ZCNJEJUDHXUHGX-QZTJIDSGSA-N 2 2 343.475 2.008 20 30 EEEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccccc3Cl)cn2)CC1 ZINC000755473683 577825590 /nfs/dbraw/zinc/82/55/90/577825590.db2.gz YDHWPVILIDZQIS-UHFFFAOYSA-N 2 2 330.823 2.328 20 30 EEEDLP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000970499055 675940538 /nfs/dbraw/zinc/94/05/38/675940538.db2.gz NBIOOUJPTWHJCW-QGZVFWFLSA-N 2 2 349.438 2.024 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021610627 676264840 /nfs/dbraw/zinc/26/48/40/676264840.db2.gz JWGJOBHCXIIBEO-RDJZCZTQSA-N 2 2 329.444 2.132 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021610627 676264842 /nfs/dbraw/zinc/26/48/42/676264842.db2.gz JWGJOBHCXIIBEO-RDJZCZTQSA-N 2 2 329.444 2.132 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022691885 678237741 /nfs/dbraw/zinc/23/77/41/678237741.db2.gz BHWIQYKRUAQHOB-BBWFWOEESA-N 2 2 349.438 2.138 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024487380 679967381 /nfs/dbraw/zinc/96/73/81/679967381.db2.gz OAQQQQFUTXDIEW-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024487380 679967390 /nfs/dbraw/zinc/96/73/90/679967390.db2.gz OAQQQQFUTXDIEW-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024487380 679967399 /nfs/dbraw/zinc/96/73/99/679967399.db2.gz OAQQQQFUTXDIEW-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024487380 679967403 /nfs/dbraw/zinc/96/74/03/679967403.db2.gz OAQQQQFUTXDIEW-MSOLQXFVSA-N 2 2 333.520 2.491 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511137 680006873 /nfs/dbraw/zinc/00/68/73/680006873.db2.gz CAGRJMUOJAOXHY-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511137 680006867 /nfs/dbraw/zinc/00/68/67/680006867.db2.gz CAGRJMUOJAOXHY-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]12 ZINC001026401046 684568135 /nfs/dbraw/zinc/56/81/35/684568135.db2.gz UBWQIKXXIGGGRZ-HZSPNIEDSA-N 2 2 336.867 2.266 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990815251 693909600 /nfs/dbraw/zinc/90/96/00/693909600.db2.gz JZHGFYHMWYFMQO-YLJYHZDGSA-N 2 2 342.487 2.451 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990815251 693909605 /nfs/dbraw/zinc/90/96/05/693909605.db2.gz JZHGFYHMWYFMQO-YLJYHZDGSA-N 2 2 342.487 2.451 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)CC1(C)C ZINC000974685784 685222059 /nfs/dbraw/zinc/22/20/59/685222059.db2.gz LDNOSKIAXJFXAW-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)CC1(C)C ZINC000974685784 685222064 /nfs/dbraw/zinc/22/20/64/685222064.db2.gz LDNOSKIAXJFXAW-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC000974685784 685222070 /nfs/dbraw/zinc/22/20/70/685222070.db2.gz LDNOSKIAXJFXAW-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC000974685784 685222075 /nfs/dbraw/zinc/22/20/75/685222075.db2.gz LDNOSKIAXJFXAW-RBUKOAKNSA-N 2 2 345.531 2.491 20 30 EEEDLP CC#CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989775427 692293551 /nfs/dbraw/zinc/29/35/51/692293551.db2.gz WKFAFNJRRYKWLO-UHFFFAOYSA-N 2 2 331.460 2.293 20 30 EEEDLP CC#CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989775427 692293555 /nfs/dbraw/zinc/29/35/55/692293555.db2.gz WKFAFNJRRYKWLO-UHFFFAOYSA-N 2 2 331.460 2.293 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000977423873 692615723 /nfs/dbraw/zinc/61/57/23/692615723.db2.gz VTOWXVXCZWNILE-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000977423873 692615727 /nfs/dbraw/zinc/61/57/27/692615727.db2.gz VTOWXVXCZWNILE-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123483 1192897678 /nfs/dbraw/zinc/89/76/78/1192897678.db2.gz UTLFGCUIQWXYBU-WBVHZDCISA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123483 1192897681 /nfs/dbraw/zinc/89/76/81/1192897681.db2.gz UTLFGCUIQWXYBU-WBVHZDCISA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001088352502 1186650135 /nfs/dbraw/zinc/65/01/35/1186650135.db2.gz CLCCUIDDUXQYSG-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001088352502 1186650136 /nfs/dbraw/zinc/65/01/36/1186650136.db2.gz CLCCUIDDUXQYSG-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001168302336 1188268012 /nfs/dbraw/zinc/26/80/12/1188268012.db2.gz OEYGSPLOLDWAKR-UHFFFAOYSA-N 2 2 333.501 2.168 20 30 EEEDLP C=CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001168302336 1188268016 /nfs/dbraw/zinc/26/80/16/1188268016.db2.gz OEYGSPLOLDWAKR-UHFFFAOYSA-N 2 2 333.501 2.168 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001034674236 1196503392 /nfs/dbraw/zinc/50/33/92/1196503392.db2.gz KKSUGIFKTLGJIJ-RBSFLKMASA-N 2 2 336.867 2.215 20 30 EEEDLP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234141 1199413625 /nfs/dbraw/zinc/41/36/25/1199413625.db2.gz CQWFSDWFKBAJSU-RYUDHWBXSA-N 2 2 343.269 2.124 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014941066 1224561365 /nfs/dbraw/zinc/56/13/65/1224561365.db2.gz MMMZBPFTPAXJNI-KRWDZBQOSA-N 2 2 345.406 2.439 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014941066 1224561368 /nfs/dbraw/zinc/56/13/68/1224561368.db2.gz MMMZBPFTPAXJNI-KRWDZBQOSA-N 2 2 345.406 2.439 20 30 EEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC[C@H]1C ZINC001133165268 1200538093 /nfs/dbraw/zinc/53/80/93/1200538093.db2.gz DOYKEWHIDSSXOH-NVXWUHKLSA-N 2 2 340.471 2.445 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001095556236 1205872834 /nfs/dbraw/zinc/87/28/34/1205872834.db2.gz GMTKOIVLNCZAOJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001095556236 1205872836 /nfs/dbraw/zinc/87/28/36/1205872836.db2.gz GMTKOIVLNCZAOJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095556236 1205872838 /nfs/dbraw/zinc/87/28/38/1205872838.db2.gz GMTKOIVLNCZAOJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095556236 1205872840 /nfs/dbraw/zinc/87/28/40/1205872840.db2.gz GMTKOIVLNCZAOJ-FYQPLNBISA-N 2 2 343.515 2.386 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000948705646 1209312534 /nfs/dbraw/zinc/31/25/34/1209312534.db2.gz ITKFANPRFOSWKE-PKOBYXMFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000948705646 1209312537 /nfs/dbraw/zinc/31/25/37/1209312537.db2.gz ITKFANPRFOSWKE-PKOBYXMFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000948705646 1209312542 /nfs/dbraw/zinc/31/25/42/1209312542.db2.gz ITKFANPRFOSWKE-PKOBYXMFSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000948705646 1209312544 /nfs/dbraw/zinc/31/25/44/1209312544.db2.gz ITKFANPRFOSWKE-PKOBYXMFSA-N 2 2 349.519 2.129 20 30 EEEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968925455 1221676697 /nfs/dbraw/zinc/67/66/97/1221676697.db2.gz DTDWHUQWFKNJHG-DLBZAZTESA-N 2 2 342.487 2.207 20 30 EEEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968925455 1221676701 /nfs/dbraw/zinc/67/67/01/1221676701.db2.gz DTDWHUQWFKNJHG-DLBZAZTESA-N 2 2 342.487 2.207 20 30 EEEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968925455 1221676702 /nfs/dbraw/zinc/67/67/02/1221676702.db2.gz DTDWHUQWFKNJHG-DLBZAZTESA-N 2 2 342.487 2.207 20 30 EEEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968925455 1221676705 /nfs/dbraw/zinc/67/67/05/1221676705.db2.gz DTDWHUQWFKNJHG-DLBZAZTESA-N 2 2 342.487 2.207 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001007519333 1222273966 /nfs/dbraw/zinc/27/39/66/1222273966.db2.gz OPECCUSUOGHZED-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001007519333 1222273970 /nfs/dbraw/zinc/27/39/70/1222273970.db2.gz OPECCUSUOGHZED-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC001007519333 1222273972 /nfs/dbraw/zinc/27/39/72/1222273972.db2.gz OPECCUSUOGHZED-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC001007519333 1222273977 /nfs/dbraw/zinc/27/39/77/1222273977.db2.gz OPECCUSUOGHZED-OALUTQOASA-N 2 2 343.446 2.004 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001007645204 1222343209 /nfs/dbraw/zinc/34/32/09/1222343209.db2.gz MIQASWCGNSNQJO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC001007645204 1222343213 /nfs/dbraw/zinc/34/32/13/1222343213.db2.gz MIQASWCGNSNQJO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007645204 1222343217 /nfs/dbraw/zinc/34/32/17/1222343217.db2.gz MIQASWCGNSNQJO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007645204 1222343222 /nfs/dbraw/zinc/34/32/22/1222343222.db2.gz MIQASWCGNSNQJO-VQTJNVASSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001007649704 1222345846 /nfs/dbraw/zinc/34/58/46/1222345846.db2.gz WXPFXSBEOPORCG-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC001007649704 1222345851 /nfs/dbraw/zinc/34/58/51/1222345851.db2.gz WXPFXSBEOPORCG-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001007649704 1222345858 /nfs/dbraw/zinc/34/58/58/1222345858.db2.gz WXPFXSBEOPORCG-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001014450552 1226630544 /nfs/dbraw/zinc/63/05/44/1226630544.db2.gz HAUNVEZADYEGKB-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001014450552 1226630553 /nfs/dbraw/zinc/63/05/53/1226630553.db2.gz HAUNVEZADYEGKB-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016831470 1226910052 /nfs/dbraw/zinc/91/00/52/1226910052.db2.gz XJNSCBSTTAPPMH-BFYDXBDKSA-N 2 2 328.460 2.070 20 30 EEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001038464141 1229845240 /nfs/dbraw/zinc/84/52/40/1229845240.db2.gz ZSWDFWPIZVCOHE-SFHVURJKSA-N 2 2 345.406 2.210 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001038464141 1229845242 /nfs/dbraw/zinc/84/52/42/1229845242.db2.gz ZSWDFWPIZVCOHE-SFHVURJKSA-N 2 2 345.406 2.210 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=C)Cl)C2 ZINC001040245326 1231130523 /nfs/dbraw/zinc/13/05/23/1231130523.db2.gz RVGXCJKGZQHHTR-HKUYNNGSSA-N 2 2 349.906 2.151 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=C)Cl)C2 ZINC001040245326 1231130524 /nfs/dbraw/zinc/13/05/24/1231130524.db2.gz RVGXCJKGZQHHTR-HKUYNNGSSA-N 2 2 349.906 2.151 20 30 EEEDLP 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HXLPUVWCKIKZGJ-YJBOKZPZSA-N 2 2 338.455 2.354 20 30 EEEDLP C=C(C)CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001113355590 808795409 /nfs/dbraw/zinc/79/54/09/808795409.db2.gz CABSWSRWQDYJDW-UHFFFAOYSA-N 2 2 329.488 2.271 20 30 EEEDLP CN(CCC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CCn1cc[nH+]c1 ZINC001440449762 1093663502 /nfs/dbraw/zinc/66/35/02/1093663502.db2.gz PWWIFBLQPRAIEX-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP CN(CCC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CCn1cc[nH+]c1 ZINC001440449762 1093663508 /nfs/dbraw/zinc/66/35/08/1093663508.db2.gz PWWIFBLQPRAIEX-UHFFFAOYSA-N 2 2 339.443 2.125 20 30 EEEDLP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328787542 539760636 /nfs/dbraw/zinc/76/06/36/539760636.db2.gz XECRJUGFXBNLEW-UHFFFAOYSA-N 2 2 331.464 2.378 20 30 EEEDLP CN(C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C1(C#N)CCCCC1 ZINC000109793408 237133241 /nfs/dbraw/zinc/13/32/41/237133241.db2.gz RGYFZDSUFCADTJ-UHFFFAOYSA-N 2 2 329.448 2.205 20 30 EEEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368664302 166100617 /nfs/dbraw/zinc/10/06/17/166100617.db2.gz VSUUPVADVWZKPS-SFHVURJKSA-N 2 2 341.459 2.190 20 30 EEEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368664302 166100619 /nfs/dbraw/zinc/10/06/19/166100619.db2.gz VSUUPVADVWZKPS-SFHVURJKSA-N 2 2 341.459 2.190 20 30 EEEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411813496 267278813 /nfs/dbraw/zinc/27/88/13/267278813.db2.gz DSPBWPZHGWOKIL-UHFFFAOYSA-N 2 2 334.489 2.367 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266150824 274106581 /nfs/dbraw/zinc/10/65/81/274106581.db2.gz KMAMFRBNRNEVHN-VQIMIIECSA-N 2 2 325.412 2.124 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000247264275 277069942 /nfs/dbraw/zinc/06/99/42/277069942.db2.gz RVBYIQZNUDPLMY-NEWSRXKRSA-N 2 2 338.455 2.080 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000247264275 277069943 /nfs/dbraw/zinc/06/99/43/277069943.db2.gz RVBYIQZNUDPLMY-NEWSRXKRSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000247264275 277069944 /nfs/dbraw/zinc/06/99/44/277069944.db2.gz RVBYIQZNUDPLMY-NEWSRXKRSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000247264275 277069945 /nfs/dbraw/zinc/06/99/45/277069945.db2.gz RVBYIQZNUDPLMY-NEWSRXKRSA-N 2 2 338.455 2.080 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000118843727 294038214 /nfs/dbraw/zinc/03/82/14/294038214.db2.gz MOPMOPPWUXCXPK-UKRRQHHQSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000118843727 294038216 /nfs/dbraw/zinc/03/82/16/294038216.db2.gz MOPMOPPWUXCXPK-UKRRQHHQSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C#N)c1C ZINC000118843727 294038218 /nfs/dbraw/zinc/03/82/18/294038218.db2.gz MOPMOPPWUXCXPK-UKRRQHHQSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C#N)c1C ZINC000118843727 294038220 /nfs/dbraw/zinc/03/82/20/294038220.db2.gz MOPMOPPWUXCXPK-UKRRQHHQSA-N 2 2 332.448 2.369 20 30 EEEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000326381617 311603632 /nfs/dbraw/zinc/60/36/32/311603632.db2.gz INPKEUAWSCIPMF-IBGZPJMESA-N 2 2 343.471 2.248 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3snnc3C3CC3)CC2)CC1 ZINC000329541357 465366699 /nfs/dbraw/zinc/36/66/99/465366699.db2.gz XFLDPBDFQCGEHE-UHFFFAOYSA-N 2 2 349.504 2.279 20 30 EEEDLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135071861 463114709 /nfs/dbraw/zinc/11/47/09/463114709.db2.gz ALDNIRJKDJDKRQ-KRWDZBQOSA-N 2 2 329.444 2.111 20 30 EEEDLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135071861 463114714 /nfs/dbraw/zinc/11/47/14/463114714.db2.gz ALDNIRJKDJDKRQ-KRWDZBQOSA-N 2 2 329.444 2.111 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000107368910 463568072 /nfs/dbraw/zinc/56/80/72/463568072.db2.gz PUOLZBZANYWOJK-SFHVURJKSA-N 2 2 337.471 2.023 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000107368910 463568074 /nfs/dbraw/zinc/56/80/74/463568074.db2.gz PUOLZBZANYWOJK-SFHVURJKSA-N 2 2 337.471 2.023 20 30 EEEDLP CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000171233665 463821131 /nfs/dbraw/zinc/82/11/31/463821131.db2.gz LFKWMXPONWOHMG-HNNXBMFYSA-N 2 2 346.475 2.224 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140358 463887865 /nfs/dbraw/zinc/88/78/65/463887865.db2.gz IYWMPTGHDVJVRT-MJGOQNOKSA-N 2 2 340.471 2.470 20 30 EEEDLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000277140358 463887872 /nfs/dbraw/zinc/88/78/72/463887872.db2.gz IYWMPTGHDVJVRT-MJGOQNOKSA-N 2 2 340.471 2.470 20 30 EEEDLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311576 464038015 /nfs/dbraw/zinc/03/80/15/464038015.db2.gz OHUGNXCRCNZKQA-VQIMIIECSA-N 2 2 340.471 2.001 20 30 EEEDLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C#N)CC1 ZINC000195311576 464038019 /nfs/dbraw/zinc/03/80/19/464038019.db2.gz OHUGNXCRCNZKQA-VQIMIIECSA-N 2 2 340.471 2.001 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000264387065 464306839 /nfs/dbraw/zinc/30/68/39/464306839.db2.gz MWNSLADOYHORCZ-UHFFFAOYSA-N 2 2 327.432 2.174 20 30 EEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000271891323 464402700 /nfs/dbraw/zinc/40/27/00/464402700.db2.gz RYOXIXKBCZVGOD-MAUKXSAKSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000271891323 464402704 /nfs/dbraw/zinc/40/27/04/464402704.db2.gz RYOXIXKBCZVGOD-MAUKXSAKSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246343421 464574720 /nfs/dbraw/zinc/57/47/20/464574720.db2.gz IFAVAEZZHBWYPY-CVEARBPZSA-N 2 2 346.450 2.344 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246343421 464574725 /nfs/dbraw/zinc/57/47/25/464574725.db2.gz IFAVAEZZHBWYPY-CVEARBPZSA-N 2 2 346.450 2.344 20 30 EEEDLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182806700 464731459 /nfs/dbraw/zinc/73/14/59/464731459.db2.gz YDVVIMIRJDIRLP-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182806700 464731460 /nfs/dbraw/zinc/73/14/60/464731460.db2.gz YDVVIMIRJDIRLP-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182806700 464731462 /nfs/dbraw/zinc/73/14/62/464731462.db2.gz YDVVIMIRJDIRLP-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182806700 464731464 /nfs/dbraw/zinc/73/14/64/464731464.db2.gz YDVVIMIRJDIRLP-PKOBYXMFSA-N 2 2 340.471 2.327 20 30 EEEDLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329939962 465480582 /nfs/dbraw/zinc/48/05/82/465480582.db2.gz FWZZXJYWRXMDBX-WFASDCNBSA-N 2 2 330.436 2.405 20 30 EEEDLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329939962 465480586 /nfs/dbraw/zinc/48/05/86/465480586.db2.gz FWZZXJYWRXMDBX-WFASDCNBSA-N 2 2 330.436 2.405 20 30 EEEDLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000371300709 465700091 /nfs/dbraw/zinc/70/00/91/465700091.db2.gz BOPIHOMSXZINGW-VQIMIIECSA-N 2 2 342.487 2.025 20 30 EEEDLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C#N ZINC000371300709 465700098 /nfs/dbraw/zinc/70/00/98/465700098.db2.gz BOPIHOMSXZINGW-VQIMIIECSA-N 2 2 342.487 2.025 20 30 EEEDLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000331329616 466034418 /nfs/dbraw/zinc/03/44/18/466034418.db2.gz ODHZJAXSEODWNA-ZBFHGGJFSA-N 2 2 334.464 2.329 20 30 EEEDLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1C[C@@H](C)O ZINC000331329616 466034423 /nfs/dbraw/zinc/03/44/23/466034423.db2.gz ODHZJAXSEODWNA-ZBFHGGJFSA-N 2 2 334.464 2.329 20 30 EEEDLP C=CC[NH+](CC=C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000302804926 466188238 /nfs/dbraw/zinc/18/82/38/466188238.db2.gz ALQIBZVZMSGYQS-UHFFFAOYSA-N 2 2 327.472 2.313 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(C#N)ccc3[N+](=O)[O-])C2)CC1 ZINC000372944658 466644644 /nfs/dbraw/zinc/64/46/44/466644644.db2.gz BKCIECNWQBITBI-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(C#N)ccc3[N+](=O)[O-])C2)CC1 ZINC000372944658 466644646 /nfs/dbraw/zinc/64/46/46/466644646.db2.gz BKCIECNWQBITBI-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378246408 467241396 /nfs/dbraw/zinc/24/13/96/467241396.db2.gz HHCXFQZACKGMAG-YQVWRLOYSA-N 2 2 329.444 2.250 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378246408 467241397 /nfs/dbraw/zinc/24/13/97/467241397.db2.gz HHCXFQZACKGMAG-YQVWRLOYSA-N 2 2 329.444 2.250 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cnc12 ZINC000559273802 468734981 /nfs/dbraw/zinc/73/49/81/468734981.db2.gz ZMMZHCFXCQSYQE-UHFFFAOYSA-N 2 2 346.438 2.139 20 30 EEEDLP N#Cc1cnn2cc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cnc12 ZINC000559273802 468734985 /nfs/dbraw/zinc/73/49/85/468734985.db2.gz ZMMZHCFXCQSYQE-UHFFFAOYSA-N 2 2 346.438 2.139 20 30 EEEDLP C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000602869938 469130923 /nfs/dbraw/zinc/13/09/23/469130923.db2.gz QXHWXCJCQISYBZ-AWEZNQCLSA-N 2 2 332.473 2.066 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609260367 469909895 /nfs/dbraw/zinc/90/98/95/469909895.db2.gz KJMVLMAFWNGGKM-ROUUACIJSA-N 2 2 340.427 2.026 20 30 EEEDLP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609260367 469909898 /nfs/dbraw/zinc/90/98/98/469909898.db2.gz KJMVLMAFWNGGKM-ROUUACIJSA-N 2 2 340.427 2.026 20 30 EEEDLP C[NH+]=C(NCc1ncccc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160086779 526390574 /nfs/dbraw/zinc/39/05/74/526390574.db2.gz IXWIRNUMUKYIHH-WBVHZDCISA-N 2 2 326.448 2.245 20 30 EEEDLP C=C(Br)CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160115813 526425540 /nfs/dbraw/zinc/42/55/40/526425540.db2.gz TURYGKODQPOMRE-WCQYABFASA-N 2 2 340.269 2.250 20 30 EEEDLP C=CCn1nnn(C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)c1=S ZINC000738066792 577998209 /nfs/dbraw/zinc/99/82/09/577998209.db2.gz FBLUAFJCOBJUQU-UHFFFAOYSA-N 2 2 338.525 2.396 20 30 EEEDLP C=CCn1nnn(C[NH+]2CCC(C[N@H+](C)CCCC)CC2)c1=S ZINC000738066792 577998210 /nfs/dbraw/zinc/99/82/10/577998210.db2.gz FBLUAFJCOBJUQU-UHFFFAOYSA-N 2 2 338.525 2.396 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000744590046 577900267 /nfs/dbraw/zinc/90/02/67/577900267.db2.gz PEMAQRQPWZMMDR-SFHVURJKSA-N 2 2 338.455 2.239 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000744590046 577900268 /nfs/dbraw/zinc/90/02/68/577900268.db2.gz PEMAQRQPWZMMDR-SFHVURJKSA-N 2 2 338.455 2.239 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227904 682257364 /nfs/dbraw/zinc/25/73/64/682257364.db2.gz UDPPYJXVKNHRCX-IAGOWNOFSA-N 2 2 328.460 2.211 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227904 682257366 /nfs/dbraw/zinc/25/73/66/682257366.db2.gz UDPPYJXVKNHRCX-IAGOWNOFSA-N 2 2 328.460 2.211 20 30 EEEDLP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262022575 682878264 /nfs/dbraw/zinc/87/82/64/682878264.db2.gz ZCOXDRXWUKGHSI-JQHSSLGASA-N 2 2 347.507 2.283 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC000992876600 683617739 /nfs/dbraw/zinc/61/77/39/683617739.db2.gz VQDLGMPXUBCOEQ-RRFJBIMHSA-N 2 2 336.867 2.230 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001026390674 684538263 /nfs/dbraw/zinc/53/82/63/684538263.db2.gz 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/nfs/dbraw/zinc/31/47/77/1300314777.db2.gz UNACHZMHEHTAPI-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001102105537 1300314787 /nfs/dbraw/zinc/31/47/87/1300314787.db2.gz UNACHZMHEHTAPI-DJIMGWMZSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103163071 1302360880 /nfs/dbraw/zinc/36/08/80/1302360880.db2.gz WBZRPYCFEXGAOB-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103163071 1302360895 /nfs/dbraw/zinc/36/08/95/1302360895.db2.gz WBZRPYCFEXGAOB-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP Cc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)c(F)c1 ZINC001246959587 1310479227 /nfs/dbraw/zinc/47/92/27/1310479227.db2.gz WNXVLVRODPRDAI-FUHWJXTLSA-N 2 2 330.451 2.332 20 30 EEEDLP Cc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)c(F)c1 ZINC001246959587 1310479236 /nfs/dbraw/zinc/47/92/36/1310479236.db2.gz WNXVLVRODPRDAI-FUHWJXTLSA-N 2 2 330.451 2.332 20 30 EEEDLP CC#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160492388 1320176068 /nfs/dbraw/zinc/17/60/68/1320176068.db2.gz QPZHPCMVOQBTLC-UHFFFAOYSA-N 2 2 328.460 2.088 20 30 EEEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160492388 1320176069 /nfs/dbraw/zinc/17/60/69/1320176069.db2.gz QPZHPCMVOQBTLC-UHFFFAOYSA-N 2 2 328.460 2.088 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001164312289 1321347409 /nfs/dbraw/zinc/34/74/09/1321347409.db2.gz MODSJOZMVITOEU-BZSNNMDCSA-N 2 2 329.444 2.325 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001164312289 1321347413 /nfs/dbraw/zinc/34/74/13/1321347413.db2.gz MODSJOZMVITOEU-BZSNNMDCSA-N 2 2 329.444 2.325 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001100601230 1338539139 /nfs/dbraw/zinc/53/91/39/1338539139.db2.gz XLPWKEWNLABUFD-FAFZWHIHSA-N 2 2 349.519 2.080 20 30 EEEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001100601230 1338539140 /nfs/dbraw/zinc/53/91/40/1338539140.db2.gz XLPWKEWNLABUFD-FAFZWHIHSA-N 2 2 349.519 2.080 20 30 EEEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)c(C#N)c(F)c1 ZINC001140757398 1372665752 /nfs/dbraw/zinc/66/57/52/1372665752.db2.gz IJVSUSCYXRWLPA-ZWKOTPCHSA-N 2 2 334.414 2.047 20 30 EEEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)c(C#N)c(F)c1 ZINC001140757398 1372665755 /nfs/dbraw/zinc/66/57/55/1372665755.db2.gz IJVSUSCYXRWLPA-ZWKOTPCHSA-N 2 2 334.414 2.047 20 30 EEEDLP C=C(Br)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001379657100 1380801285 /nfs/dbraw/zinc/80/12/85/1380801285.db2.gz PXVSAWRLVYJFCA-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001379657100 1380801289 /nfs/dbraw/zinc/80/12/89/1380801289.db2.gz PXVSAWRLVYJFCA-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001379657100 1380801295 /nfs/dbraw/zinc/80/12/95/1380801295.db2.gz PXVSAWRLVYJFCA-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001379657100 1380801301 /nfs/dbraw/zinc/80/13/01/1380801301.db2.gz PXVSAWRLVYJFCA-KBPBESRZSA-N 2 2 346.313 2.206 20 30 EEEDLP COC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001771668958 1409857712 /nfs/dbraw/zinc/85/77/12/1409857712.db2.gz IZLDIBHBRZGKLS-RTBURBONSA-N 2 2 341.455 2.454 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087312877 761591283 /nfs/dbraw/zinc/59/12/83/761591283.db2.gz LNAFDCYHVISUBK-NXHRZFHOSA-N 2 2 330.476 2.144 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087312877 761591289 /nfs/dbraw/zinc/59/12/89/761591289.db2.gz LNAFDCYHVISUBK-NXHRZFHOSA-N 2 2 330.476 2.144 20 30 EEEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738064 764902085 /nfs/dbraw/zinc/90/20/85/764902085.db2.gz DKPJLJXJMZRNPO-KZNAEPCWSA-N 2 2 348.491 2.111 20 30 EEEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527979 770237826 /nfs/dbraw/zinc/23/78/26/770237826.db2.gz GQKYTVLVPJFIIK-YRNRMSPPSA-N 2 2 340.471 2.071 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056289 782833027 /nfs/dbraw/zinc/83/30/27/782833027.db2.gz QXWCPIWUCGBVSP-MSOLQXFVSA-N 2 2 336.439 2.452 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056289 782833032 /nfs/dbraw/zinc/83/30/32/782833032.db2.gz QXWCPIWUCGBVSP-MSOLQXFVSA-N 2 2 336.439 2.452 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089660833 774047058 /nfs/dbraw/zinc/04/70/58/774047058.db2.gz QGEXHGLASOIQJI-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089660833 774047063 /nfs/dbraw/zinc/04/70/63/774047063.db2.gz QGEXHGLASOIQJI-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027940077 774714377 /nfs/dbraw/zinc/71/43/77/774714377.db2.gz GGCAFRVIFLAUHX-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027940077 774714379 /nfs/dbraw/zinc/71/43/79/774714379.db2.gz GGCAFRVIFLAUHX-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027940077 774714381 /nfs/dbraw/zinc/71/43/81/774714381.db2.gz GGCAFRVIFLAUHX-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027940077 774714384 /nfs/dbraw/zinc/71/43/84/774714384.db2.gz GGCAFRVIFLAUHX-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001027972609 775464038 /nfs/dbraw/zinc/46/40/38/775464038.db2.gz WZQFXHUPRQHPMF-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cccc(C#N)c1 ZINC001027972609 775464043 /nfs/dbraw/zinc/46/40/43/775464043.db2.gz WZQFXHUPRQHPMF-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001027972609 775464047 /nfs/dbraw/zinc/46/40/47/775464047.db2.gz WZQFXHUPRQHPMF-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027972609 775464050 /nfs/dbraw/zinc/46/40/50/775464050.db2.gz WZQFXHUPRQHPMF-RTBURBONSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980367 775622661 /nfs/dbraw/zinc/62/26/61/775622661.db2.gz RASOIDPUIGLKPD-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980367 775622665 /nfs/dbraw/zinc/62/26/65/775622665.db2.gz RASOIDPUIGLKPD-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027980367 775622673 /nfs/dbraw/zinc/62/26/73/775622673.db2.gz RASOIDPUIGLKPD-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027980367 775622681 /nfs/dbraw/zinc/62/26/81/775622681.db2.gz RASOIDPUIGLKPD-HZPDHXFCSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152529 776638532 /nfs/dbraw/zinc/63/85/32/776638532.db2.gz LMGGRHFXHWHGBU-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152529 776638540 /nfs/dbraw/zinc/63/85/40/776638540.db2.gz LMGGRHFXHWHGBU-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981152529 776638548 /nfs/dbraw/zinc/63/85/48/776638548.db2.gz LMGGRHFXHWHGBU-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981152529 776638554 /nfs/dbraw/zinc/63/85/54/776638554.db2.gz LMGGRHFXHWHGBU-HZPDHXFCSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821479 776984062 /nfs/dbraw/zinc/98/40/62/776984062.db2.gz UFCHHNLRCPSIRS-ORQFMDKSSA-N 2 2 348.878 2.264 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089821479 776984069 /nfs/dbraw/zinc/98/40/69/776984069.db2.gz UFCHHNLRCPSIRS-ORQFMDKSSA-N 2 2 348.878 2.264 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813787 778240180 /nfs/dbraw/zinc/24/01/80/778240180.db2.gz PYDGWDNEHIWISI-HNNXBMFYSA-N 2 2 348.878 2.437 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813787 778240186 /nfs/dbraw/zinc/24/01/86/778240186.db2.gz PYDGWDNEHIWISI-HNNXBMFYSA-N 2 2 348.878 2.437 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000982064472 779023984 /nfs/dbraw/zinc/02/39/84/779023984.db2.gz GFQSDICFAJNQQH-UHFFFAOYSA-N 2 2 349.519 2.132 20 30 EEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000982064472 779023989 /nfs/dbraw/zinc/02/39/89/779023989.db2.gz GFQSDICFAJNQQH-UHFFFAOYSA-N 2 2 349.519 2.132 20 30 EEEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCc4sccc4C3)C2)C1 ZINC000982161612 779201546 /nfs/dbraw/zinc/20/15/46/779201546.db2.gz XUGBLNIRYPPANI-UHFFFAOYSA-N 2 2 345.512 2.217 20 30 EEEDLP C=CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCc4sccc4C3)C2)C1 ZINC000982161612 779201551 /nfs/dbraw/zinc/20/15/51/779201551.db2.gz XUGBLNIRYPPANI-UHFFFAOYSA-N 2 2 345.512 2.217 20 30 EEEDLP C=CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCc4sccc4C3)C2)C1 ZINC000982161612 779201555 /nfs/dbraw/zinc/20/15/55/779201555.db2.gz XUGBLNIRYPPANI-UHFFFAOYSA-N 2 2 345.512 2.217 20 30 EEEDLP C=CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCc4sccc4C3)C2)C1 ZINC000982161612 779201563 /nfs/dbraw/zinc/20/15/63/779201563.db2.gz XUGBLNIRYPPANI-UHFFFAOYSA-N 2 2 345.512 2.217 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088857742 790811221 /nfs/dbraw/zinc/81/12/21/790811221.db2.gz BZOKUYUXQOGNCH-CPUCHLNUSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088857742 790811231 /nfs/dbraw/zinc/81/12/31/790811231.db2.gz BZOKUYUXQOGNCH-CPUCHLNUSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088857742 790811243 /nfs/dbraw/zinc/81/12/43/790811243.db2.gz BZOKUYUXQOGNCH-CPUCHLNUSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088857742 790811260 /nfs/dbraw/zinc/81/12/60/790811260.db2.gz BZOKUYUXQOGNCH-CPUCHLNUSA-N 2 2 346.500 2.183 20 30 EEEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088857850 790812924 /nfs/dbraw/zinc/81/29/24/790812924.db2.gz GGAGPYSHKNCWEV-MDZRGWNJSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088857850 790812938 /nfs/dbraw/zinc/81/29/38/790812938.db2.gz GGAGPYSHKNCWEV-MDZRGWNJSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088857850 790812948 /nfs/dbraw/zinc/81/29/48/790812948.db2.gz GGAGPYSHKNCWEV-MDZRGWNJSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088857850 790812964 /nfs/dbraw/zinc/81/29/64/790812964.db2.gz GGAGPYSHKNCWEV-MDZRGWNJSA-N 2 2 340.471 2.122 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296640 783407503 /nfs/dbraw/zinc/40/75/03/783407503.db2.gz WSDHPADNTBXXDW-JKSUJKDBSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296640 783407508 /nfs/dbraw/zinc/40/75/08/783407508.db2.gz WSDHPADNTBXXDW-JKSUJKDBSA-N 2 2 325.884 2.146 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947335021 790973662 /nfs/dbraw/zinc/97/36/62/790973662.db2.gz XFNPOSWUWNXQKW-JKSUJKDBSA-N 2 2 330.476 2.307 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947335021 790973676 /nfs/dbraw/zinc/97/36/76/790973676.db2.gz XFNPOSWUWNXQKW-JKSUJKDBSA-N 2 2 330.476 2.307 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135576218 784026929 /nfs/dbraw/zinc/02/69/29/784026929.db2.gz SPSDMMIFOPALFE-QWHCGFSZSA-N 2 2 343.406 2.036 20 30 EEEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680435 784216922 /nfs/dbraw/zinc/21/69/22/784216922.db2.gz VZOQGQCMHNPTIC-HOTGVXAUSA-N 2 2 326.444 2.081 20 30 EEEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135916183 784770867 /nfs/dbraw/zinc/77/08/67/784770867.db2.gz HACDBEWXHRVNTA-HUUCEWRRSA-N 2 2 327.432 2.330 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]cn1C ZINC001089895747 787022143 /nfs/dbraw/zinc/02/21/43/787022143.db2.gz GZTFQPICZZAECY-AITUJVMLSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]cn1C ZINC001089895747 787022145 /nfs/dbraw/zinc/02/21/45/787022145.db2.gz GZTFQPICZZAECY-AITUJVMLSA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000996757510 787388488 /nfs/dbraw/zinc/38/84/88/787388488.db2.gz LTZRMSJBJOMADR-CYBMUJFWSA-N 2 2 336.867 2.156 20 30 EEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000996757510 787388498 /nfs/dbraw/zinc/38/84/98/787388498.db2.gz LTZRMSJBJOMADR-CYBMUJFWSA-N 2 2 336.867 2.156 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991504927 789158834 /nfs/dbraw/zinc/15/88/34/789158834.db2.gz RKEUZPLIMKGADK-FUHWJXTLSA-N 2 2 332.448 2.039 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991504927 789158836 /nfs/dbraw/zinc/15/88/36/789158836.db2.gz RKEUZPLIMKGADK-FUHWJXTLSA-N 2 2 332.448 2.039 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997279173 789527659 /nfs/dbraw/zinc/52/76/59/789527659.db2.gz LAISYXFQTDDXNM-VQIMIIECSA-N 2 2 349.519 2.033 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997279173 789527668 /nfs/dbraw/zinc/52/76/68/789527668.db2.gz LAISYXFQTDDXNM-VQIMIIECSA-N 2 2 349.519 2.033 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001086927901 793051360 /nfs/dbraw/zinc/05/13/60/793051360.db2.gz PTWQBDAXXZJLDI-BRWVUGGUSA-N 2 2 340.471 2.240 20 30 EEEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001086927901 793051375 /nfs/dbraw/zinc/05/13/75/793051375.db2.gz PTWQBDAXXZJLDI-BRWVUGGUSA-N 2 2 340.471 2.240 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106154081 795131382 /nfs/dbraw/zinc/13/13/82/795131382.db2.gz YAIIYYLQHXTYFA-HZPDHXFCSA-N 2 2 330.476 2.022 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994160761 797342116 /nfs/dbraw/zinc/34/21/16/797342116.db2.gz OASMYXSGDLSOQE-DOTOQJQBSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994160761 797342123 /nfs/dbraw/zinc/34/21/23/797342123.db2.gz OASMYXSGDLSOQE-DOTOQJQBSA-N 2 2 339.443 2.426 20 30 EEEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177468485 798953941 /nfs/dbraw/zinc/95/39/41/798953941.db2.gz BMHBVZSFIFMJGO-UHFFFAOYSA-N 2 2 330.476 2.282 20 30 EEEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704106 799596524 /nfs/dbraw/zinc/59/65/24/799596524.db2.gz NONVXLMREGZDGR-RDJZCZTQSA-N 2 2 342.443 2.038 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001003493811 799730995 /nfs/dbraw/zinc/73/09/95/799730995.db2.gz NHRCKHGREYNXKL-LJQANCHMSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001003493811 799730997 /nfs/dbraw/zinc/73/09/97/799730997.db2.gz NHRCKHGREYNXKL-LJQANCHMSA-N 2 2 349.519 2.177 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001003724625 800052403 /nfs/dbraw/zinc/05/24/03/800052403.db2.gz XRLPTRSQDACMJV-UHFFFAOYSA-N 2 2 349.519 2.178 20 30 EEEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184850599 802198477 /nfs/dbraw/zinc/19/84/77/802198477.db2.gz DVOPJLPVQCQOMO-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946618091 802202237 /nfs/dbraw/zinc/20/22/37/802202237.db2.gz RWAKDUVDZOHNKC-CALCHBBNSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946618091 802202244 /nfs/dbraw/zinc/20/22/44/802202244.db2.gz RWAKDUVDZOHNKC-CALCHBBNSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946618091 802202248 /nfs/dbraw/zinc/20/22/48/802202248.db2.gz RWAKDUVDZOHNKC-CALCHBBNSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946618091 802202256 /nfs/dbraw/zinc/20/22/56/802202256.db2.gz RWAKDUVDZOHNKC-CALCHBBNSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086129518 802230855 /nfs/dbraw/zinc/23/08/55/802230855.db2.gz YZEOCDARPKAUNT-MELADBBJSA-N 2 2 336.867 2.060 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086129518 802230860 /nfs/dbraw/zinc/23/08/60/802230860.db2.gz YZEOCDARPKAUNT-MELADBBJSA-N 2 2 336.867 2.060 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001108250955 802454216 /nfs/dbraw/zinc/45/42/16/802454216.db2.gz YMCBLYXABAZDDT-FUHWJXTLSA-N 2 2 334.464 2.008 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001108250955 802454221 /nfs/dbraw/zinc/45/42/21/802454221.db2.gz YMCBLYXABAZDDT-FUHWJXTLSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946639885 802536744 /nfs/dbraw/zinc/53/67/44/802536744.db2.gz JOROLPURZLSFGQ-CALCHBBNSA-N 2 2 343.471 2.379 20 30 EEEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946639885 802536751 /nfs/dbraw/zinc/53/67/51/802536751.db2.gz JOROLPURZLSFGQ-CALCHBBNSA-N 2 2 343.471 2.379 20 30 EEEDLP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108368502 803377132 /nfs/dbraw/zinc/37/71/32/803377132.db2.gz YYOFHCJOSCPCDT-LJQANCHMSA-N 2 2 348.491 2.214 20 30 EEEDLP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108368502 803377135 /nfs/dbraw/zinc/37/71/35/803377135.db2.gz YYOFHCJOSCPCDT-LJQANCHMSA-N 2 2 348.491 2.214 20 30 EEEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001113037723 807913094 /nfs/dbraw/zinc/91/30/94/807913094.db2.gz QJEAOGAQTGAJBH-KRWDZBQOSA-N 2 2 330.476 2.336 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001113252422 808571194 /nfs/dbraw/zinc/57/11/94/808571194.db2.gz OHQGGRIZDQJAHH-HKUYNNGSSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001113252422 808571199 /nfs/dbraw/zinc/57/11/99/808571199.db2.gz OHQGGRIZDQJAHH-HKUYNNGSSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001131653158 813084354 /nfs/dbraw/zinc/08/43/54/813084354.db2.gz QDWYOTWZFFGGHS-LPHOPBHVSA-N 2 2 346.475 2.000 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001131653158 813084364 /nfs/dbraw/zinc/08/43/64/813084364.db2.gz QDWYOTWZFFGGHS-LPHOPBHVSA-N 2 2 346.475 2.000 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001437675014 1090206271 /nfs/dbraw/zinc/20/62/71/1090206271.db2.gz DKMJXOWNHKYTCJ-UONOGXRCSA-N 2 2 346.313 2.062 20 30 EEEDLP C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001437675014 1090206275 /nfs/dbraw/zinc/20/62/75/1090206275.db2.gz DKMJXOWNHKYTCJ-UONOGXRCSA-N 2 2 346.313 2.062 20 30 EEEDLP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336250 1107320937 /nfs/dbraw/zinc/32/09/37/1107320937.db2.gz AOHKXOIIAFKFHV-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336250 1107320953 /nfs/dbraw/zinc/32/09/53/1107320953.db2.gz AOHKXOIIAFKFHV-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1C#N ZINC001493033887 1107354976 /nfs/dbraw/zinc/35/49/76/1107354976.db2.gz BXNVQNPCIZZTGY-UHFFFAOYSA-N 2 2 342.487 2.228 20 30 EEEDLP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1C#N ZINC001493033887 1107354987 /nfs/dbraw/zinc/35/49/87/1107354987.db2.gz BXNVQNPCIZZTGY-UHFFFAOYSA-N 2 2 342.487 2.228 20 30 EEEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415661 243110679 /nfs/dbraw/zinc/11/06/79/243110679.db2.gz DKTJNMJOHSXIFW-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415661 243110684 /nfs/dbraw/zinc/11/06/84/243110684.db2.gz DKTJNMJOHSXIFW-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415661 243110689 /nfs/dbraw/zinc/11/06/89/243110689.db2.gz DKTJNMJOHSXIFW-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245415661 243110695 /nfs/dbraw/zinc/11/06/95/243110695.db2.gz DKTJNMJOHSXIFW-MJGOQNOKSA-N 2 2 340.471 2.327 20 30 EEEDLP C=C[C@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000495178235 247079928 /nfs/dbraw/zinc/07/99/28/247079928.db2.gz YGMDGEGZNDYSFR-KRWDZBQOSA-N 2 2 334.508 2.295 20 30 EEEDLP C#CCC[NH+]1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000491850510 533052473 /nfs/dbraw/zinc/05/24/73/533052473.db2.gz VWEKIHYVAAFYQN-TWGQIWQCSA-N 2 2 334.423 2.053 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000159862596 533067320 /nfs/dbraw/zinc/06/73/20/533067320.db2.gz FBIJMJNNOFIXHW-UHFFFAOYSA-N 2 2 325.387 2.403 20 30 EEEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000297720970 270018592 /nfs/dbraw/zinc/01/85/92/270018592.db2.gz RWFXZMLJZVAUDW-UHFFFAOYSA-N 2 2 329.835 2.310 20 30 EEEDLP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C#N)o2)c2cccs2)CC1 ZINC000540481154 318074526 /nfs/dbraw/zinc/07/45/26/318074526.db2.gz LHGXRDULQUCCGW-MRXNPFEDSA-N 2 2 330.457 2.291 20 30 EEEDLP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181728116 323353748 /nfs/dbraw/zinc/35/37/48/323353748.db2.gz ZXNLTOIAEPPXRG-LJQANCHMSA-N 3 2 326.488 2.454 20 30 EEEDLP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181728116 323353749 /nfs/dbraw/zinc/35/37/49/323353749.db2.gz ZXNLTOIAEPPXRG-LJQANCHMSA-N 3 2 326.488 2.454 20 30 EEEDLP [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328600220 465065194 /nfs/dbraw/zinc/06/51/94/465065194.db2.gz CVBPEEZUMGCXEC-AWEZNQCLSA-N 2 2 328.420 2.277 20 30 EEEDLP Cc1cccc(NCCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)[nH+]1 ZINC000329513978 465359226 /nfs/dbraw/zinc/35/92/26/465359226.db2.gz CSCZTSXMAJBBDY-MRXNPFEDSA-N 2 2 332.448 2.402 20 30 EEEDLP Cc1cccc(NCCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)[nH+]1 ZINC000329513978 465359234 /nfs/dbraw/zinc/35/92/34/465359234.db2.gz CSCZTSXMAJBBDY-MRXNPFEDSA-N 2 2 332.448 2.402 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000150852266 463440349 /nfs/dbraw/zinc/44/03/49/463440349.db2.gz QKCCZBRSWNSJKG-IEBWSBKVSA-N 2 2 338.455 2.081 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000150852266 463440354 /nfs/dbraw/zinc/44/03/54/463440354.db2.gz QKCCZBRSWNSJKG-IEBWSBKVSA-N 2 2 338.455 2.081 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246502644 464592882 /nfs/dbraw/zinc/59/28/82/464592882.db2.gz AZJAZTRGFVCRGD-MOPGFXCFSA-N 2 2 348.535 2.438 20 30 EEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246502644 464592888 /nfs/dbraw/zinc/59/28/88/464592888.db2.gz AZJAZTRGFVCRGD-MOPGFXCFSA-N 2 2 348.535 2.438 20 30 EEEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)S1 ZINC000177214869 464960959 /nfs/dbraw/zinc/96/09/59/464960959.db2.gz NPUYLEPANCVKFK-CQSZACIVSA-N 2 2 330.457 2.046 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000361218462 465844170 /nfs/dbraw/zinc/84/41/70/465844170.db2.gz YLWVMCISZOHJCS-CQSZACIVSA-N 2 2 337.489 2.359 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000363031828 466186068 /nfs/dbraw/zinc/18/60/68/466186068.db2.gz TWCZATVYLRUVRE-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000363031828 466186074 /nfs/dbraw/zinc/18/60/74/466186074.db2.gz TWCZATVYLRUVRE-AWEZNQCLSA-N 2 2 329.404 2.047 20 30 EEEDLP CON1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000421398231 466655187 /nfs/dbraw/zinc/65/51/87/466655187.db2.gz NXYJNZAZFPHDPB-UHFFFAOYSA-N 2 2 328.460 2.138 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC000364455503 466701368 /nfs/dbraw/zinc/70/13/68/466701368.db2.gz OXRXCYZEIAIKQG-IAGOWNOFSA-N 2 2 330.476 2.260 20 30 EEEDLP N#CCCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000424334980 467030836 /nfs/dbraw/zinc/03/08/36/467030836.db2.gz GVEFKHFFCNBCHU-MRXNPFEDSA-N 2 2 341.415 2.262 20 30 EEEDLP C[C@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425245327 467090144 /nfs/dbraw/zinc/09/01/44/467090144.db2.gz IXBKDKRAKDMUJH-AWEZNQCLSA-N 2 2 343.431 2.071 20 30 EEEDLP C[C@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425245327 467090145 /nfs/dbraw/zinc/09/01/45/467090145.db2.gz IXBKDKRAKDMUJH-AWEZNQCLSA-N 2 2 343.431 2.071 20 30 EEEDLP Cc1cc(NCC[N@@H+](C)C(C)C)c(C#N)c(NCC[NH+](C)C(C)C)[nH+]1 ZINC000596111208 469159220 /nfs/dbraw/zinc/15/92/20/469159220.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 3 2 346.523 2.766 20 30 EEEDLP Cc1cc(NCC[N@H+](C)C(C)C)c(C#N)c(NCC[NH+](C)C(C)C)[nH+]1 ZINC000596111208 469159224 /nfs/dbraw/zinc/15/92/24/469159224.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 3 2 346.523 2.766 20 30 EEEDLP Cc1cc(NCC[NH+](C)C(C)C)c(C#N)c(NCC[N@H+](C)C(C)C)[nH+]1 ZINC000596111208 469159232 /nfs/dbraw/zinc/15/92/32/469159232.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 3 2 346.523 2.766 20 30 EEEDLP Cc1cc(NCC[NH+](C)C(C)C)c(C#N)c(NCC[N@@H+](C)C(C)C)[nH+]1 ZINC000596111208 469159238 /nfs/dbraw/zinc/15/92/38/469159238.db2.gz XLDKVGGSWFLLRS-UHFFFAOYSA-N 3 2 346.523 2.766 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000730105702 576715741 /nfs/dbraw/zinc/71/57/41/576715741.db2.gz MRRRMOOCNDIAAY-SFHVURJKSA-N 2 2 340.471 2.176 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000730105702 576715745 /nfs/dbraw/zinc/71/57/45/576715745.db2.gz MRRRMOOCNDIAAY-SFHVURJKSA-N 2 2 340.471 2.176 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000731052230 577077115 /nfs/dbraw/zinc/07/71/15/577077115.db2.gz ZGUCOHASBWWWFK-IBGZPJMESA-N 2 2 325.456 2.361 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000731052230 577077117 /nfs/dbraw/zinc/07/71/17/577077117.db2.gz ZGUCOHASBWWWFK-IBGZPJMESA-N 2 2 325.456 2.361 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000969911117 675301042 /nfs/dbraw/zinc/30/10/42/675301042.db2.gz PIKSFNKBKHEBOL-IAGOWNOFSA-N 2 2 349.438 2.092 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023555019 679375441 /nfs/dbraw/zinc/37/54/41/679375441.db2.gz TUYRVQQWHJOEDD-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001023555019 679375443 /nfs/dbraw/zinc/37/54/43/679375443.db2.gz TUYRVQQWHJOEDD-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001023555019 679375445 /nfs/dbraw/zinc/37/54/45/679375445.db2.gz TUYRVQQWHJOEDD-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001023555019 679375448 /nfs/dbraw/zinc/37/54/48/679375448.db2.gz TUYRVQQWHJOEDD-PKOBYXMFSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516190 680020716 /nfs/dbraw/zinc/02/07/16/680020716.db2.gz HMCNZVIVZDJFFN-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516190 680020720 /nfs/dbraw/zinc/02/07/20/680020720.db2.gz HMCNZVIVZDJFFN-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516190 680020724 /nfs/dbraw/zinc/02/07/24/680020724.db2.gz HMCNZVIVZDJFFN-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516190 680020728 /nfs/dbraw/zinc/02/07/28/680020728.db2.gz HMCNZVIVZDJFFN-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990814811 693908464 /nfs/dbraw/zinc/90/84/64/693908464.db2.gz JGERTMHKRKXYTG-VQIMIIECSA-N 2 2 328.460 2.061 20 30 EEEDLP C=CC[N@H+]1CC[C@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC000990814811 693908468 /nfs/dbraw/zinc/90/84/68/693908468.db2.gz JGERTMHKRKXYTG-VQIMIIECSA-N 2 2 328.460 2.061 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943253408 1192141771 /nfs/dbraw/zinc/14/17/71/1192141771.db2.gz IAAIVESMPQIHRM-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943253408 1192141773 /nfs/dbraw/zinc/14/17/73/1192141773.db2.gz IAAIVESMPQIHRM-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784011 1200024204 /nfs/dbraw/zinc/02/42/04/1200024204.db2.gz FDUILXYINFOJAE-SFHVURJKSA-N 2 2 339.524 2.306 20 30 EEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784011 1200024210 /nfs/dbraw/zinc/02/42/10/1200024210.db2.gz FDUILXYINFOJAE-SFHVURJKSA-N 2 2 339.524 2.306 20 30 EEEDLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)[nH+]c1C ZINC000886669731 1202541686 /nfs/dbraw/zinc/54/16/86/1202541686.db2.gz CVJPGJNACDQNDT-GOSISDBHSA-N 2 2 331.464 2.260 20 30 EEEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095641195 1205900435 /nfs/dbraw/zinc/90/04/35/1205900435.db2.gz WSXDOFAHWDQQJZ-LMSBXDPUSA-N 2 2 328.460 2.133 20 30 EEEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095641195 1205900437 /nfs/dbraw/zinc/90/04/37/1205900437.db2.gz WSXDOFAHWDQQJZ-LMSBXDPUSA-N 2 2 328.460 2.133 20 30 EEEDLP C#CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000948933007 1209460952 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EEEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079967633 795451044 /nfs/dbraw/zinc/45/10/44/795451044.db2.gz QPAVCBFYWLFDFU-XYPHTWIQSA-N 2 2 346.500 2.041 20 30 EEEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079967633 795451049 /nfs/dbraw/zinc/45/10/49/795451049.db2.gz QPAVCBFYWLFDFU-XYPHTWIQSA-N 2 2 346.500 2.041 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904387 796446763 /nfs/dbraw/zinc/44/67/63/796446763.db2.gz RDOUOSWRVNTUPW-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904387 796446767 /nfs/dbraw/zinc/44/67/67/796446767.db2.gz RDOUOSWRVNTUPW-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904387 796446772 /nfs/dbraw/zinc/44/67/72/796446772.db2.gz RDOUOSWRVNTUPW-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)CC[C@H]21 ZINC001036904387 796446776 /nfs/dbraw/zinc/44/67/76/796446776.db2.gz RDOUOSWRVNTUPW-DOTOQJQBSA-N 2 2 345.512 2.215 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991005 797201544 /nfs/dbraw/zinc/20/15/44/797201544.db2.gz TYVSBBZQFGPMLL-NCOADZHNSA-N 2 2 348.491 2.304 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991005 797201547 /nfs/dbraw/zinc/20/15/47/797201547.db2.gz TYVSBBZQFGPMLL-NCOADZHNSA-N 2 2 348.491 2.304 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991005 797201551 /nfs/dbraw/zinc/20/15/51/797201551.db2.gz TYVSBBZQFGPMLL-NCOADZHNSA-N 2 2 348.491 2.304 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]21 ZINC001172991005 797201555 /nfs/dbraw/zinc/20/15/55/797201555.db2.gz TYVSBBZQFGPMLL-NCOADZHNSA-N 2 2 348.491 2.304 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001095046679 797275138 /nfs/dbraw/zinc/27/51/38/797275138.db2.gz HOGLRLPTDRPCOW-LZWOXQAQSA-N 2 2 336.867 2.074 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000994151606 797335751 /nfs/dbraw/zinc/33/57/51/797335751.db2.gz VQVGKLALFFCAAF-QFBILLFUSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000994151606 797335756 /nfs/dbraw/zinc/33/57/56/797335756.db2.gz VQVGKLALFFCAAF-QFBILLFUSA-N 2 2 336.439 2.478 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994207034 797388346 /nfs/dbraw/zinc/38/83/46/797388346.db2.gz IYROECKXDUUDGQ-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994207034 797388354 /nfs/dbraw/zinc/38/83/54/797388354.db2.gz IYROECKXDUUDGQ-WBVHZDCISA-N 2 2 339.443 2.426 20 30 EEEDLP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175890163 798263891 /nfs/dbraw/zinc/26/38/91/798263891.db2.gz YUIXCLOSVJUAQX-OAHLLOKOSA-N 2 2 339.443 2.289 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162219 798782780 /nfs/dbraw/zinc/78/27/80/798782780.db2.gz JQRUWMKJSWXMEL-RTBURBONSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001177162219 798782783 /nfs/dbraw/zinc/78/27/83/798782783.db2.gz JQRUWMKJSWXMEL-RTBURBONSA-N 2 2 349.519 2.130 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469042 802152919 /nfs/dbraw/zinc/15/29/19/802152919.db2.gz LFCSUHHWOADORP-GOSISDBHSA-N 2 2 342.487 2.263 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469042 802152924 /nfs/dbraw/zinc/15/29/24/802152924.db2.gz LFCSUHHWOADORP-GOSISDBHSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001113037899 807914052 /nfs/dbraw/zinc/91/40/52/807914052.db2.gz VHTZCXXGNMRNRV-GDBMZVCRSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001113037899 807914061 /nfs/dbraw/zinc/91/40/61/807914061.db2.gz VHTZCXXGNMRNRV-GDBMZVCRSA-N 2 2 330.476 2.322 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001439863700 1092893184 /nfs/dbraw/zinc/89/31/84/1092893184.db2.gz DFNRSQJHFQJTOI-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001439863700 1092893192 /nfs/dbraw/zinc/89/31/92/1092893192.db2.gz DFNRSQJHFQJTOI-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001439863700 1092893199 /nfs/dbraw/zinc/89/31/99/1092893199.db2.gz DFNRSQJHFQJTOI-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001439863700 1092893207 /nfs/dbraw/zinc/89/32/07/1092893207.db2.gz DFNRSQJHFQJTOI-IBGZPJMESA-N 2 2 346.450 2.120 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602266 781922384 /nfs/dbraw/zinc/92/23/84/781922384.db2.gz HVGXJSNPTDJZCA-RRFJBIMHSA-N 2 2 336.867 2.482 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602266 781922376 /nfs/dbraw/zinc/92/23/76/781922376.db2.gz HVGXJSNPTDJZCA-RRFJBIMHSA-N 2 2 336.867 2.482 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000329261349 539769993 /nfs/dbraw/zinc/76/99/93/539769993.db2.gz CZLKRGRZGASYFU-RHSMWYFYSA-N 2 2 345.491 2.442 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000329261349 539769997 /nfs/dbraw/zinc/76/99/97/539769997.db2.gz CZLKRGRZGASYFU-RHSMWYFYSA-N 2 2 345.491 2.442 20 30 EEEDLP N#Cc1ccsc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000564787509 319109766 /nfs/dbraw/zinc/10/97/66/319109766.db2.gz CFTOUGIOGQXDEC-MRXNPFEDSA-N 2 2 344.484 2.332 20 30 EEEDLP C[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000565478934 319186617 /nfs/dbraw/zinc/18/66/17/319186617.db2.gz XGDBXTOOMBJPPX-INIZCTEOSA-N 2 2 349.500 2.186 20 30 EEEDLP Cn1c(CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)[nH+]c2ccccc21 ZINC000567502478 319385837 /nfs/dbraw/zinc/38/58/37/319385837.db2.gz TXGNBRNHWWPAMT-UHFFFAOYSA-N 2 2 345.410 2.210 20 30 EEEDLP C[C@@H]1CC(=O)N[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000328801682 465133075 /nfs/dbraw/zinc/13/30/75/465133075.db2.gz ZLBRIHPIPZOMJT-BBRMVZONSA-N 2 2 336.480 2.257 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477540 462651906 /nfs/dbraw/zinc/65/19/06/462651906.db2.gz IFAVAEZZHBWYPY-HZPDHXFCSA-N 2 2 346.450 2.344 20 30 EEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477540 462651907 /nfs/dbraw/zinc/65/19/07/462651907.db2.gz IFAVAEZZHBWYPY-HZPDHXFCSA-N 2 2 346.450 2.344 20 30 EEEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000264067817 464278722 /nfs/dbraw/zinc/27/87/22/464278722.db2.gz FHELTEQDMOWBGZ-GOSISDBHSA-N 2 2 331.508 2.302 20 30 EEEDLP COc1ccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)cc1OC ZINC000264152117 464288636 /nfs/dbraw/zinc/28/86/36/464288636.db2.gz ZNPBERZHSABSMK-HNNXBMFYSA-N 2 2 336.480 2.257 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000272620841 464681253 /nfs/dbraw/zinc/68/12/53/464681253.db2.gz YFEDXNNMTFKCSD-QRQLOZEOSA-N 2 2 338.455 2.270 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000272620841 464681255 /nfs/dbraw/zinc/68/12/55/464681255.db2.gz YFEDXNNMTFKCSD-QRQLOZEOSA-N 2 2 338.455 2.270 20 30 EEEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000349386406 466094126 /nfs/dbraw/zinc/09/41/26/466094126.db2.gz SKWTUJSMCRUYNW-IYBDPMFKSA-N 2 2 347.459 2.241 20 30 EEEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000349386406 466094135 /nfs/dbraw/zinc/09/41/35/466094135.db2.gz SKWTUJSMCRUYNW-IYBDPMFKSA-N 2 2 347.459 2.241 20 30 EEEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347058709 466356522 /nfs/dbraw/zinc/35/65/22/466356522.db2.gz QDQFNCIXRSOKHB-GOSISDBHSA-N 2 2 340.471 2.003 20 30 EEEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347058709 466356529 /nfs/dbraw/zinc/35/65/29/466356529.db2.gz QDQFNCIXRSOKHB-GOSISDBHSA-N 2 2 340.471 2.003 20 30 EEEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347058709 466356541 /nfs/dbraw/zinc/35/65/41/466356541.db2.gz QDQFNCIXRSOKHB-GOSISDBHSA-N 2 2 340.471 2.003 20 30 EEEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347058709 466356552 /nfs/dbraw/zinc/35/65/52/466356552.db2.gz QDQFNCIXRSOKHB-GOSISDBHSA-N 2 2 340.471 2.003 20 30 EEEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000424171236 466995966 /nfs/dbraw/zinc/99/59/66/466995966.db2.gz CBWFJSXNKPFACE-MRXNPFEDSA-N 2 2 334.851 2.005 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467369 468028789 /nfs/dbraw/zinc/02/87/89/468028789.db2.gz ATKOPZMFLUMALZ-DNVCBOLYSA-N 2 2 346.438 2.211 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467369 468028792 /nfs/dbraw/zinc/02/87/92/468028792.db2.gz ATKOPZMFLUMALZ-DNVCBOLYSA-N 2 2 346.438 2.211 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576766759 468172020 /nfs/dbraw/zinc/17/20/20/468172020.db2.gz VPKTULKOXZHNSK-CGTJXYLNSA-N 2 2 328.460 2.047 20 30 EEEDLP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576766759 468172026 /nfs/dbraw/zinc/17/20/26/468172026.db2.gz VPKTULKOXZHNSK-CGTJXYLNSA-N 2 2 328.460 2.047 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000577275143 468181509 /nfs/dbraw/zinc/18/15/09/468181509.db2.gz LUTJDPSKEIVUKE-CEXWTWQISA-N 2 2 330.472 2.371 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000577275143 468181512 /nfs/dbraw/zinc/18/15/12/468181512.db2.gz LUTJDPSKEIVUKE-CEXWTWQISA-N 2 2 330.472 2.371 20 30 EEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000589984861 468200390 /nfs/dbraw/zinc/20/03/90/468200390.db2.gz AZQBQVIJOGBJCD-QGZVFWFLSA-N 2 2 330.451 2.298 20 30 EEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000589984861 468200397 /nfs/dbraw/zinc/20/03/97/468200397.db2.gz AZQBQVIJOGBJCD-QGZVFWFLSA-N 2 2 330.451 2.298 20 30 EEEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCOC1 ZINC000602706352 469024061 /nfs/dbraw/zinc/02/40/61/469024061.db2.gz ORVRCIIXIARKER-ICSRJNTNSA-N 2 2 343.471 2.164 20 30 EEEDLP C[NH+](C)[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000573696324 469190159 /nfs/dbraw/zinc/19/01/59/469190159.db2.gz RULXUQGVHNLEHM-OAHLLOKOSA-N 2 2 334.851 2.047 20 30 EEEDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000603426508 469392175 /nfs/dbraw/zinc/39/21/75/469392175.db2.gz AEMAOBCXELGSJN-YLJYHZDGSA-N 2 2 342.487 2.005 20 30 EEEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257651 469906340 /nfs/dbraw/zinc/90/63/40/469906340.db2.gz BJWXXYFVZNWHIX-CQSZACIVSA-N 2 2 329.429 2.482 20 30 EEEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257651 469906341 /nfs/dbraw/zinc/90/63/41/469906341.db2.gz BJWXXYFVZNWHIX-CQSZACIVSA-N 2 2 329.429 2.482 20 30 EEEDLP C[NH+]=C(NCc1ncccc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160086499 526390571 /nfs/dbraw/zinc/39/05/71/526390571.db2.gz IXWIRNUMUKYIHH-NVXWUHKLSA-N 2 2 326.448 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH+]1CCc2ccccc2C1 ZINC000730097210 576714298 /nfs/dbraw/zinc/71/42/98/576714298.db2.gz HPOZHHHNMGBMFT-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH+]1CCc2ccccc2C1 ZINC000730097210 576714300 /nfs/dbraw/zinc/71/43/00/576714300.db2.gz HPOZHHHNMGBMFT-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000730097210 576714302 /nfs/dbraw/zinc/71/43/02/576714302.db2.gz HPOZHHHNMGBMFT-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000730097210 576714303 /nfs/dbraw/zinc/71/43/03/576714303.db2.gz HPOZHHHNMGBMFT-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000754750131 577812041 /nfs/dbraw/zinc/81/20/41/577812041.db2.gz VCOAVUOSASPNPE-OAHLLOKOSA-N 2 2 341.480 2.329 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000748814245 577967200 /nfs/dbraw/zinc/96/72/00/577967200.db2.gz XDZRKMJKXWAKSC-UHFFFAOYSA-N 2 2 339.483 2.066 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000748814245 577967201 /nfs/dbraw/zinc/96/72/01/577967201.db2.gz XDZRKMJKXWAKSC-UHFFFAOYSA-N 2 2 339.483 2.066 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000748815654 577967244 /nfs/dbraw/zinc/96/72/44/577967244.db2.gz DMMKUHMLZOYAPE-OAQYLSRUSA-N 2 2 339.483 2.285 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635589 676290531 /nfs/dbraw/zinc/29/05/31/676290531.db2.gz KWMKKOFKRWIDIP-HOTGVXAUSA-N 2 2 336.867 2.257 20 30 EEEDLP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000971783386 676788503 /nfs/dbraw/zinc/78/85/03/676788503.db2.gz CSEBXECELADHRW-ZWKOTPCHSA-N 2 2 346.450 2.070 20 30 EEEDLP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)[NH+](C)C ZINC000971783386 676788504 /nfs/dbraw/zinc/78/85/04/676788504.db2.gz CSEBXECELADHRW-ZWKOTPCHSA-N 2 2 346.450 2.070 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180174 678361926 /nfs/dbraw/zinc/36/19/26/678361926.db2.gz WABJJLDWFKPKJB-GDBMZVCRSA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180174 678361927 /nfs/dbraw/zinc/36/19/27/678361927.db2.gz WABJJLDWFKPKJB-GDBMZVCRSA-N 2 2 336.867 2.039 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024617866 681282596 /nfs/dbraw/zinc/28/25/96/681282596.db2.gz MFJYZZRGUPDANO-JYJNAYRXSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024617866 681282599 /nfs/dbraw/zinc/28/25/99/681282599.db2.gz MFJYZZRGUPDANO-JYJNAYRXSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024617866 681282601 /nfs/dbraw/zinc/28/26/01/681282601.db2.gz MFJYZZRGUPDANO-JYJNAYRXSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024617866 681282603 /nfs/dbraw/zinc/28/26/03/681282603.db2.gz MFJYZZRGUPDANO-JYJNAYRXSA-N 2 2 327.900 2.440 20 30 EEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC#Cc3ccccc3)cc2)CC1 ZINC000892582965 681857081 /nfs/dbraw/zinc/85/70/81/681857081.db2.gz OXHYMSAFMWLXMO-UHFFFAOYSA-N 2 2 347.462 2.216 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493281 682919125 /nfs/dbraw/zinc/91/91/25/682919125.db2.gz MAVLYYWDAHDJEA-WMZOPIPTSA-N 2 2 336.439 2.336 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493281 682919126 /nfs/dbraw/zinc/91/91/26/682919126.db2.gz MAVLYYWDAHDJEA-WMZOPIPTSA-N 2 2 336.439 2.336 20 30 EEEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001027689866 693986795 /nfs/dbraw/zinc/98/67/95/693986795.db2.gz IFBWNHMMQXONBO-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001027689866 693986798 /nfs/dbraw/zinc/98/67/98/693986798.db2.gz IFBWNHMMQXONBO-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001027689866 693986802 /nfs/dbraw/zinc/98/68/02/693986802.db2.gz IFBWNHMMQXONBO-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001027689866 693986805 /nfs/dbraw/zinc/98/68/05/693986805.db2.gz IFBWNHMMQXONBO-MRXNPFEDSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001027695798 694010284 /nfs/dbraw/zinc/01/02/84/694010284.db2.gz JQDMJDIAGMYOSO-QZTJIDSGSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001027695798 694010290 /nfs/dbraw/zinc/01/02/90/694010290.db2.gz JQDMJDIAGMYOSO-QZTJIDSGSA-N 2 2 330.476 2.183 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001027542050 692791768 /nfs/dbraw/zinc/79/17/68/692791768.db2.gz HINPZWXFWSPLIU-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001027542050 692791772 /nfs/dbraw/zinc/79/17/72/692791772.db2.gz HINPZWXFWSPLIU-OALUTQOASA-N 2 2 349.519 2.129 20 30 EEEDLP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001027542050 692791776 /nfs/dbraw/zinc/79/17/76/692791776.db2.gz 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ZINC001053035343 1245730805 /nfs/dbraw/zinc/73/08/05/1245730805.db2.gz ZKBOLAMDCDMCEU-ROUUACIJSA-N 2 2 344.503 2.489 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053106626 1245925208 /nfs/dbraw/zinc/92/52/08/1245925208.db2.gz UYTLZCYHXOKYTJ-HKUYNNGSSA-N 2 2 342.487 2.079 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053106626 1245925212 /nfs/dbraw/zinc/92/52/12/1245925212.db2.gz UYTLZCYHXOKYTJ-HKUYNNGSSA-N 2 2 342.487 2.079 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054211952 1247730592 /nfs/dbraw/zinc/73/05/92/1247730592.db2.gz BKAQSWHSMYPYEV-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054211952 1247730598 /nfs/dbraw/zinc/73/05/98/1247730598.db2.gz BKAQSWHSMYPYEV-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054211952 1247730604 /nfs/dbraw/zinc/73/06/04/1247730604.db2.gz BKAQSWHSMYPYEV-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054211952 1247730612 /nfs/dbraw/zinc/73/06/12/1247730612.db2.gz BKAQSWHSMYPYEV-LPHOPBHVSA-N 2 2 330.476 2.479 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054234752 1247808282 /nfs/dbraw/zinc/80/82/82/1247808282.db2.gz JAVHLZDIKSWFPU-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054234752 1247808299 /nfs/dbraw/zinc/80/82/99/1247808299.db2.gz JAVHLZDIKSWFPU-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712495 1254549121 /nfs/dbraw/zinc/54/91/21/1254549121.db2.gz PDVFUNJGJWLONX-AEFFLSMTSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071712495 1254549127 /nfs/dbraw/zinc/54/91/27/1254549127.db2.gz PDVFUNJGJWLONX-AEFFLSMTSA-N 2 2 336.439 2.478 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001099460313 1258161386 /nfs/dbraw/zinc/16/13/86/1258161386.db2.gz HLLXDBNQAGZGBL-FJIDUMEYSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001099460313 1258161390 /nfs/dbraw/zinc/16/13/90/1258161390.db2.gz HLLXDBNQAGZGBL-FJIDUMEYSA-N 2 2 342.487 2.477 20 30 EEEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593460 1258240200 /nfs/dbraw/zinc/24/02/00/1258240200.db2.gz ZQOAMQOYMLHXDV-SJORKVTESA-N 2 2 346.475 2.008 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593460 1258240203 /nfs/dbraw/zinc/24/02/03/1258240203.db2.gz ZQOAMQOYMLHXDV-SJORKVTESA-N 2 2 346.475 2.008 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001186330666 1279075299 /nfs/dbraw/zinc/07/52/99/1279075299.db2.gz TXUSVMPVNZJGQY-MRXNPFEDSA-N 2 2 326.444 2.342 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187978273 1279725431 /nfs/dbraw/zinc/72/54/31/1279725431.db2.gz HDUABDZPRPPUSG-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187978273 1279725436 /nfs/dbraw/zinc/72/54/36/1279725436.db2.gz HDUABDZPRPPUSG-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001192406072 1281974939 /nfs/dbraw/zinc/97/49/39/1281974939.db2.gz ADRJFPQYTNLCNG-GOSISDBHSA-N 2 2 349.906 2.446 20 30 EEEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192406072 1281974941 /nfs/dbraw/zinc/97/49/41/1281974941.db2.gz ADRJFPQYTNLCNG-GOSISDBHSA-N 2 2 349.906 2.446 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406072 1281974947 /nfs/dbraw/zinc/97/49/47/1281974947.db2.gz ADRJFPQYTNLCNG-GOSISDBHSA-N 2 2 349.906 2.446 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406072 1281974951 /nfs/dbraw/zinc/97/49/51/1281974951.db2.gz ADRJFPQYTNLCNG-GOSISDBHSA-N 2 2 349.906 2.446 20 30 EEEDLP C=CC[NH2+][C@H](CNC(=O)CCCn1cc[nH+]c1)c1ccccc1OC ZINC001199024258 1285472692 /nfs/dbraw/zinc/47/26/92/1285472692.db2.gz CRPZQRRIQQJGRL-QGZVFWFLSA-N 2 2 342.443 2.305 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525957 1289655197 /nfs/dbraw/zinc/65/51/97/1289655197.db2.gz YHYJPAXOPNFXMI-DLBZAZTESA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCOCC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201712625 1289728132 /nfs/dbraw/zinc/72/81/32/1289728132.db2.gz QDAVUWLUQBWBLP-UHFFFAOYSA-N 2 2 331.460 2.404 20 30 EEEDLP C#C[C@](C)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000852098667 1291991888 /nfs/dbraw/zinc/99/18/88/1291991888.db2.gz SEDRXFKKFNBLNC-HXUWFJFHSA-N 2 2 327.472 2.031 20 30 EEEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC001218175035 1297590992 /nfs/dbraw/zinc/59/09/92/1297590992.db2.gz AUEHNWXENDLVOY-ZWKOTPCHSA-N 2 2 340.427 2.054 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001099079687 1298865165 /nfs/dbraw/zinc/86/51/65/1298865165.db2.gz HFZCIBNTOLFBRC-KRWDZBQOSA-N 2 2 342.487 2.002 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001099079687 1298865177 /nfs/dbraw/zinc/86/51/77/1298865177.db2.gz HFZCIBNTOLFBRC-KRWDZBQOSA-N 2 2 342.487 2.002 20 30 EEEDLP C=C(C)CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001230939233 1303554188 /nfs/dbraw/zinc/55/41/88/1303554188.db2.gz ASJTYFMDXUMVPR-UHFFFAOYSA-N 2 2 341.459 2.253 20 30 EEEDLP C=C(C)CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001230939233 1303554193 /nfs/dbraw/zinc/55/41/93/1303554193.db2.gz ASJTYFMDXUMVPR-UHFFFAOYSA-N 2 2 341.459 2.253 20 30 EEEDLP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC001231616375 1303865884 /nfs/dbraw/zinc/86/58/84/1303865884.db2.gz BHZVKUYORFJNHA-UHFFFAOYSA-N 2 2 330.476 2.026 20 30 EEEDLP C#CCOc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1OC ZINC001138345467 1314603044 /nfs/dbraw/zinc/60/30/44/1314603044.db2.gz IFFFCUHWFJLCNR-UHFFFAOYSA-N 2 2 346.471 2.250 20 30 EEEDLP C#CCOc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1OC ZINC001138345467 1314603047 /nfs/dbraw/zinc/60/30/47/1314603047.db2.gz IFFFCUHWFJLCNR-UHFFFAOYSA-N 2 2 346.471 2.250 20 30 EEEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001140974042 1315000328 /nfs/dbraw/zinc/00/03/28/1315000328.db2.gz PPIWOHJDAAINQR-SFHVURJKSA-N 2 2 343.496 2.213 20 30 EEEDLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3ccc(C#N)cc32)O1 ZINC001159240383 1319701605 /nfs/dbraw/zinc/70/16/05/1319701605.db2.gz PIJXHTMYJXZUOF-JFIYKMOQSA-N 2 2 326.400 2.243 20 30 EEEDLP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125424 1320076083 /nfs/dbraw/zinc/07/60/83/1320076083.db2.gz DZPOTQRIUFUSCU-UHFFFAOYSA-N 2 2 336.439 2.418 20 30 EEEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125424 1320076084 /nfs/dbraw/zinc/07/60/84/1320076084.db2.gz DZPOTQRIUFUSCU-UHFFFAOYSA-N 2 2 336.439 2.418 20 30 EEEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160524566 1320184674 /nfs/dbraw/zinc/18/46/74/1320184674.db2.gz UVWUFVSFKFDIGM-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160524566 1320184675 /nfs/dbraw/zinc/18/46/75/1320184675.db2.gz UVWUFVSFKFDIGM-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160524566 1320184677 /nfs/dbraw/zinc/18/46/77/1320184677.db2.gz UVWUFVSFKFDIGM-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160524566 1320184679 /nfs/dbraw/zinc/18/46/79/1320184679.db2.gz UVWUFVSFKFDIGM-MRXNPFEDSA-N 2 2 328.460 2.147 20 30 EEEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001162859746 1320976916 /nfs/dbraw/zinc/97/69/16/1320976916.db2.gz HRVXECZIFHTMJO-UHFFFAOYSA-N 2 2 346.434 2.242 20 30 EEEDLP COCC#CC[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166293812 1321693990 /nfs/dbraw/zinc/69/39/90/1321693990.db2.gz CGYRRPNGBRJSAG-UHFFFAOYSA-N 2 2 343.471 2.146 20 30 EEEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206955964 1323742697 /nfs/dbraw/zinc/74/26/97/1323742697.db2.gz PAKFPDZSUCSIIF-SFHVURJKSA-N 2 2 330.476 2.089 20 30 EEEDLP C#CCCC[N@@H+]1CCc2[nH]nc(C(=O)Nc3cccc4[nH+]ccn43)c2C1 ZINC001279749692 1323990047 /nfs/dbraw/zinc/99/00/47/1323990047.db2.gz IACXHIKJPMXEOQ-UHFFFAOYSA-N 2 2 348.410 2.081 20 30 EEEDLP C#CCCC[N@H+]1CCc2[nH]nc(C(=O)Nc3cccc4[nH+]ccn43)c2C1 ZINC001279749692 1323990050 /nfs/dbraw/zinc/99/00/50/1323990050.db2.gz IACXHIKJPMXEOQ-UHFFFAOYSA-N 2 2 348.410 2.081 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738227 1324645617 /nfs/dbraw/zinc/64/56/17/1324645617.db2.gz LFVVNRBOZVFPCQ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738227 1324645622 /nfs/dbraw/zinc/64/56/22/1324645622.db2.gz LFVVNRBOZVFPCQ-QZTJIDSGSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001208738754 1324647088 /nfs/dbraw/zinc/64/70/88/1324647088.db2.gz SPKBKQZFGKYGDH-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001208738754 1324647093 /nfs/dbraw/zinc/64/70/93/1324647093.db2.gz SPKBKQZFGKYGDH-RTBURBONSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCCO1 ZINC001200794631 1338625217 /nfs/dbraw/zinc/62/52/17/1338625217.db2.gz CZWBAQYEXSETAG-KRWDZBQOSA-N 2 2 348.491 2.100 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001112410503 1371433954 /nfs/dbraw/zinc/43/39/54/1371433954.db2.gz BGMXEYPESSADLH-MKSNKDDYSA-N 2 2 328.460 2.308 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001112410503 1371433959 /nfs/dbraw/zinc/43/39/59/1371433959.db2.gz BGMXEYPESSADLH-MKSNKDDYSA-N 2 2 328.460 2.308 20 30 EEEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001112439297 1371442750 /nfs/dbraw/zinc/44/27/50/1371442750.db2.gz RNEIWGYQCJKOSE-UWVAXJGDSA-N 2 2 342.487 2.240 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001389603899 1388213648 /nfs/dbraw/zinc/21/36/48/1388213648.db2.gz DNDBOUKKUADINX-HNNXBMFYSA-N 2 2 332.835 2.493 20 30 EEEDLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371765057 1375625254 /nfs/dbraw/zinc/62/52/54/1375625254.db2.gz ISCGJOHIACDUAL-ZDUSSCGKSA-N 2 2 343.406 2.038 20 30 EEEDLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371765057 1375625259 /nfs/dbraw/zinc/62/52/59/1375625259.db2.gz ISCGJOHIACDUAL-ZDUSSCGKSA-N 2 2 343.406 2.038 20 30 EEEDLP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001380187325 1381101479 /nfs/dbraw/zinc/10/14/79/1381101479.db2.gz GMJPWKCAWWAQDR-UHFFFAOYSA-N 2 2 336.867 2.408 20 30 EEEDLP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001380187325 1381101485 /nfs/dbraw/zinc/10/14/85/1381101485.db2.gz GMJPWKCAWWAQDR-UHFFFAOYSA-N 2 2 336.867 2.408 20 30 EEEDLP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755518987 1407577085 /nfs/dbraw/zinc/57/70/85/1407577085.db2.gz YTOSKOCSJNJMLQ-HNNXBMFYSA-N 2 2 342.418 2.018 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3COCC[N@H+]3CCCC)C2)C1 ZINC001121474855 1410228297 /nfs/dbraw/zinc/22/82/97/1410228297.db2.gz MPBJVZRZLYGBPU-QAELIBMJSA-N 2 2 349.519 2.080 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3COCC[N@@H+]3CCCC)C2)C1 ZINC001121474855 1410228302 /nfs/dbraw/zinc/22/83/02/1410228302.db2.gz MPBJVZRZLYGBPU-QAELIBMJSA-N 2 2 349.519 2.080 20 30 EEEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367101 759823446 /nfs/dbraw/zinc/82/34/46/759823446.db2.gz HINSMZOFYZDOOB-KZNAEPCWSA-N 2 2 344.503 2.486 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420767 768954391 /nfs/dbraw/zinc/95/43/91/768954391.db2.gz OPFUSPJCEVXCGJ-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089420767 768954396 /nfs/dbraw/zinc/95/43/96/768954396.db2.gz OPFUSPJCEVXCGJ-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089660551 774044149 /nfs/dbraw/zinc/04/41/49/774044149.db2.gz LCXIQUSNSCGPSV-RDJZCZTQSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089660551 774044154 /nfs/dbraw/zinc/04/41/54/774044154.db2.gz LCXIQUSNSCGPSV-RDJZCZTQSA-N 2 2 330.476 2.238 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802380 775830077 /nfs/dbraw/zinc/83/00/77/775830077.db2.gz FJVWNVQSZSQRNI-FZKCQIBNSA-N 2 2 348.878 2.264 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001088338864 783559699 /nfs/dbraw/zinc/55/96/99/783559699.db2.gz PXPLTOGURXNSDU-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP CC#CC[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001005790222 783836447 /nfs/dbraw/zinc/83/64/47/783836447.db2.gz BBQFQYGLXKUORZ-UHFFFAOYSA-N 2 2 336.439 2.432 20 30 EEEDLP C=CCc1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc(OC)c1OC ZINC000817908221 785061423 /nfs/dbraw/zinc/06/14/23/785061423.db2.gz BXUDUXXCGKRAAQ-PBHICJAKSA-N 2 2 334.460 2.289 20 30 EEEDLP COc1ccc(CCNC(NCCn2cc[nH+]c2)=[NH+]C(C)(C)C)cc1 ZINC000912509825 788216061 /nfs/dbraw/zinc/21/60/61/788216061.db2.gz SXOCKDOWMVTZIJ-UHFFFAOYSA-N 2 2 343.475 2.468 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001107946244 789705523 /nfs/dbraw/zinc/70/55/23/789705523.db2.gz RSWMRPHEXGKGSH-LJQANCHMSA-N 2 2 342.443 2.040 20 30 EEEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001107946244 789705530 /nfs/dbraw/zinc/70/55/30/789705530.db2.gz RSWMRPHEXGKGSH-LJQANCHMSA-N 2 2 342.443 2.040 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)c1 ZINC000992525075 794499636 /nfs/dbraw/zinc/49/96/36/794499636.db2.gz VVCYNMZIYQGMSO-QUCCMNQESA-N 2 2 349.438 2.068 20 30 EEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000999637956 794714404 /nfs/dbraw/zinc/71/44/04/794714404.db2.gz LVVITOLDLFKSBC-UHFFFAOYSA-N 2 2 345.834 2.212 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1C#N ZINC000193621316 796234359 /nfs/dbraw/zinc/23/43/59/796234359.db2.gz MRZHIIRQZDGNIC-CMDGGOBGSA-N 2 2 340.471 2.056 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1C#N ZINC000193621316 796234362 /nfs/dbraw/zinc/23/43/62/796234362.db2.gz MRZHIIRQZDGNIC-CMDGGOBGSA-N 2 2 340.471 2.056 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000993635581 796857854 /nfs/dbraw/zinc/85/78/54/796857854.db2.gz OCFZOADVWYWFGJ-LPHOPBHVSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000993635581 796857858 /nfs/dbraw/zinc/85/78/58/796857858.db2.gz OCFZOADVWYWFGJ-LPHOPBHVSA-N 2 2 336.439 2.478 20 30 EEEDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990761 797181147 /nfs/dbraw/zinc/18/11/47/797181147.db2.gz ROHYWDBHJPKDJE-CVEARBPZSA-N 2 2 347.463 2.497 20 30 EEEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990761 797181152 /nfs/dbraw/zinc/18/11/52/797181152.db2.gz ROHYWDBHJPKDJE-CVEARBPZSA-N 2 2 347.463 2.497 20 30 EEEDLP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175480078 798119601 /nfs/dbraw/zinc/11/96/01/798119601.db2.gz WUJYBULWRJNFPX-GFCCVEGCSA-N 2 2 343.269 2.125 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177492435 798982299 /nfs/dbraw/zinc/98/22/99/798982299.db2.gz GVAWOKYMEDSYGU-UHFFFAOYSA-N 2 2 330.476 2.295 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001085345949 800385807 /nfs/dbraw/zinc/38/58/07/800385807.db2.gz YTDCRBWXZQNIJD-QZTJIDSGSA-N 2 2 337.427 2.041 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181951487 800972667 /nfs/dbraw/zinc/97/26/67/800972667.db2.gz AYLIWNGIEHFBCJ-JTDSTZFVSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181952117 800973273 /nfs/dbraw/zinc/97/32/73/800973273.db2.gz QNFSEGFBCXTAGI-GPMSIDNRSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001181952095 800973528 /nfs/dbraw/zinc/97/35/28/800973528.db2.gz PVZXLZKJZNOHML-PTSWNOGYSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001181952095 800973533 /nfs/dbraw/zinc/97/35/33/800973533.db2.gz PVZXLZKJZNOHML-PTSWNOGYSA-N 2 2 344.503 2.473 20 30 EEEDLP C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830004 801760623 /nfs/dbraw/zinc/76/06/23/801760623.db2.gz AWSIEQIGVAFSTI-SFHVURJKSA-N 2 2 340.471 2.075 20 30 EEEDLP C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830004 801760627 /nfs/dbraw/zinc/76/06/27/801760627.db2.gz AWSIEQIGVAFSTI-SFHVURJKSA-N 2 2 340.471 2.075 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651365 802116583 /nfs/dbraw/zinc/11/65/83/802116583.db2.gz DNFNGCKKNHYPGL-RDJZCZTQSA-N 2 2 330.476 2.024 20 30 EEEDLP C[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+]1CCCCCC1 ZINC001004566581 802383538 /nfs/dbraw/zinc/38/35/38/802383538.db2.gz FCZSRICTSBMYQF-MJGOQNOKSA-N 2 2 346.519 2.477 20 30 EEEDLP C[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+]1CCCCCC1 ZINC001004566581 802383545 /nfs/dbraw/zinc/38/35/45/802383545.db2.gz FCZSRICTSBMYQF-MJGOQNOKSA-N 2 2 346.519 2.477 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004582781 802417669 /nfs/dbraw/zinc/41/76/69/802417669.db2.gz YGESSKMMYLQFOA-QAPCUYQASA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004582781 802417673 /nfs/dbraw/zinc/41/76/73/802417673.db2.gz YGESSKMMYLQFOA-QAPCUYQASA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004582781 802417674 /nfs/dbraw/zinc/41/76/74/802417674.db2.gz YGESSKMMYLQFOA-QAPCUYQASA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004582781 802417679 /nfs/dbraw/zinc/41/76/79/802417679.db2.gz YGESSKMMYLQFOA-QAPCUYQASA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001108334356 803309705 /nfs/dbraw/zinc/30/97/05/803309705.db2.gz IXYGXDUNRINNAT-PKOBYXMFSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001108334356 803309711 /nfs/dbraw/zinc/30/97/11/803309711.db2.gz IXYGXDUNRINNAT-PKOBYXMFSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001108334356 803309716 /nfs/dbraw/zinc/30/97/16/803309716.db2.gz IXYGXDUNRINNAT-PKOBYXMFSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001108334356 803309723 /nfs/dbraw/zinc/30/97/23/803309723.db2.gz IXYGXDUNRINNAT-PKOBYXMFSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCC1 ZINC001444517006 1099263034 /nfs/dbraw/zinc/26/30/34/1099263034.db2.gz HWPVLKJKISDEBA-UHFFFAOYSA-N 2 2 340.855 2.121 20 30 EEEDLP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001493156147 1107605823 /nfs/dbraw/zinc/60/58/23/1107605823.db2.gz PDOOPKSEYKZMRL-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001493156147 1107605861 /nfs/dbraw/zinc/60/58/61/1107605861.db2.gz PDOOPKSEYKZMRL-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001493156147 1107605868 /nfs/dbraw/zinc/60/58/68/1107605868.db2.gz PDOOPKSEYKZMRL-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001493156147 1107605874 /nfs/dbraw/zinc/60/58/74/1107605874.db2.gz PDOOPKSEYKZMRL-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001523991365 1119947846 /nfs/dbraw/zinc/94/78/46/1119947846.db2.gz KVERJAITZIVCAR-QGZVFWFLSA-N 2 2 344.507 2.295 20 30 EEEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001523991365 1119947850 /nfs/dbraw/zinc/94/78/50/1119947850.db2.gz KVERJAITZIVCAR-QGZVFWFLSA-N 2 2 344.507 2.295 20 30 EEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130908141 223187267 /nfs/dbraw/zinc/18/72/67/223187267.db2.gz WEZUSEAOEURPTJ-QGZVFWFLSA-N 2 2 326.400 2.299 20 30 EEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130908141 223187268 /nfs/dbraw/zinc/18/72/68/223187268.db2.gz WEZUSEAOEURPTJ-QGZVFWFLSA-N 2 2 326.400 2.299 20 30 EEEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000442790977 242114169 /nfs/dbraw/zinc/11/41/69/242114169.db2.gz MWWYMOPNCIFTBY-SJLPKXTDSA-N 2 2 329.444 2.179 20 30 EEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000083198842 255748832 /nfs/dbraw/zinc/74/88/32/255748832.db2.gz PSMFZZKRKDJDAE-GOSISDBHSA-N 2 2 329.444 2.436 20 30 EEEDLP Cc1csc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000563356480 319000229 /nfs/dbraw/zinc/00/02/29/319000229.db2.gz OVKCPFCXYGMKFH-UHFFFAOYSA-N 2 2 349.504 2.418 20 30 EEEDLP Cc1csc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000563356480 319000231 /nfs/dbraw/zinc/00/02/31/319000231.db2.gz OVKCPFCXYGMKFH-UHFFFAOYSA-N 2 2 349.504 2.418 20 30 EEEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329265706 465284402 /nfs/dbraw/zinc/28/44/02/465284402.db2.gz FJQRBXLBXDCABW-GDBMZVCRSA-N 2 2 331.464 2.050 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000118843729 462857212 /nfs/dbraw/zinc/85/72/12/462857212.db2.gz MOPMOPPWUXCXPK-DZGCQCFKSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C#N)c1C ZINC000118843729 462857220 /nfs/dbraw/zinc/85/72/20/462857220.db2.gz MOPMOPPWUXCXPK-DZGCQCFKSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C#N)c1C ZINC000118843729 462857225 /nfs/dbraw/zinc/85/72/25/462857225.db2.gz MOPMOPPWUXCXPK-DZGCQCFKSA-N 2 2 332.448 2.369 20 30 EEEDLP Cc1oc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C#N)c1C ZINC000118843729 462857232 /nfs/dbraw/zinc/85/72/32/462857232.db2.gz MOPMOPPWUXCXPK-DZGCQCFKSA-N 2 2 332.448 2.369 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000155596514 462915380 /nfs/dbraw/zinc/91/53/80/462915380.db2.gz OXSZTNRDQRABHL-GOSISDBHSA-N 2 2 344.459 2.285 20 30 EEEDLP N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000156357223 463012660 /nfs/dbraw/zinc/01/26/60/463012660.db2.gz RKTJQOZGNGMTSP-IBGZPJMESA-N 2 2 343.471 2.371 20 30 EEEDLP N#Cc1cccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000156357223 463012668 /nfs/dbraw/zinc/01/26/68/463012668.db2.gz RKTJQOZGNGMTSP-IBGZPJMESA-N 2 2 343.471 2.371 20 30 EEEDLP C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000170904328 463738441 /nfs/dbraw/zinc/73/84/41/463738441.db2.gz UFFPVURHWQVILG-MRXNPFEDSA-N 2 2 338.459 2.019 20 30 EEEDLP COc1cc(C(N)=[NH+]OCC[NH+]2CCCCC2)cc(Cl)c1OC ZINC000277728623 463930885 /nfs/dbraw/zinc/93/08/85/463930885.db2.gz XQUFWHLEZGWQPS-UHFFFAOYSA-N 2 2 341.839 2.480 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000269400330 463978051 /nfs/dbraw/zinc/97/80/51/463978051.db2.gz FYWYXUCUQCJBHE-LJQANCHMSA-N 2 2 339.414 2.206 20 30 EEEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000269400330 463978052 /nfs/dbraw/zinc/97/80/52/463978052.db2.gz FYWYXUCUQCJBHE-LJQANCHMSA-N 2 2 339.414 2.206 20 30 EEEDLP C=CC[NH+](CC=C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000172167042 464007042 /nfs/dbraw/zinc/00/70/42/464007042.db2.gz STEIEDMARNCXHB-UHFFFAOYSA-N 2 2 343.471 2.013 20 30 EEEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000175770674 464621227 /nfs/dbraw/zinc/62/12/27/464621227.db2.gz HRPMMIQSKDNZHC-IBGZPJMESA-N 2 2 331.891 2.403 20 30 EEEDLP O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329990584 465498901 /nfs/dbraw/zinc/49/89/01/465498901.db2.gz JBKIQJGGMLHFHV-IBGZPJMESA-N 2 2 343.471 2.161 20 30 EEEDLP O=C(C[N@H+]1CCc2ccccc2[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329990584 465498903 /nfs/dbraw/zinc/49/89/03/465498903.db2.gz JBKIQJGGMLHFHV-IBGZPJMESA-N 2 2 343.471 2.161 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043811 465725280 /nfs/dbraw/zinc/72/52/80/465725280.db2.gz GHDCXVBLGPLGPC-LJQANCHMSA-N 2 2 345.491 2.430 20 30 EEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859966 465833666 /nfs/dbraw/zinc/83/36/66/465833666.db2.gz KJDHAAKTOMXSPY-IRXDYDNUSA-N 2 2 334.508 2.476 20 30 EEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859966 465833676 /nfs/dbraw/zinc/83/36/76/465833676.db2.gz KJDHAAKTOMXSPY-IRXDYDNUSA-N 2 2 334.508 2.476 20 30 EEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859966 465833679 /nfs/dbraw/zinc/83/36/79/465833679.db2.gz KJDHAAKTOMXSPY-IRXDYDNUSA-N 2 2 334.508 2.476 20 30 EEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000330859966 465833681 /nfs/dbraw/zinc/83/36/81/465833681.db2.gz KJDHAAKTOMXSPY-IRXDYDNUSA-N 2 2 334.508 2.476 20 30 EEEDLP C=CCOc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000353849482 466199475 /nfs/dbraw/zinc/19/94/75/466199475.db2.gz TUDWVLLUOGRAES-UHFFFAOYSA-N 2 2 345.487 2.349 20 30 EEEDLP C=CCOc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000353849482 466199485 /nfs/dbraw/zinc/19/94/85/466199485.db2.gz TUDWVLLUOGRAES-UHFFFAOYSA-N 2 2 345.487 2.349 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000340901302 466421153 /nfs/dbraw/zinc/42/11/53/466421153.db2.gz OVXYYHSZAIYMHI-UHFFFAOYSA-N 2 2 326.375 2.423 20 30 EEEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000489409512 468131957 /nfs/dbraw/zinc/13/19/57/468131957.db2.gz XKVUBCQNUVEOMD-LJQANCHMSA-N 2 2 343.471 2.498 20 30 EEEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000489409512 468131959 /nfs/dbraw/zinc/13/19/59/468131959.db2.gz XKVUBCQNUVEOMD-LJQANCHMSA-N 2 2 343.471 2.498 20 30 EEEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504569 468879118 /nfs/dbraw/zinc/87/91/18/468879118.db2.gz JUJVPXOPYWDGKE-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504569 468879121 /nfs/dbraw/zinc/87/91/21/468879121.db2.gz JUJVPXOPYWDGKE-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504569 468879123 /nfs/dbraw/zinc/87/91/23/468879123.db2.gz JUJVPXOPYWDGKE-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000595504569 468879125 /nfs/dbraw/zinc/87/91/25/468879125.db2.gz JUJVPXOPYWDGKE-ICSRJNTNSA-N 2 2 338.455 2.081 20 30 EEEDLP C[N@H+](Cc1cccc(C#N)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000602452804 469322287 /nfs/dbraw/zinc/32/22/87/469322287.db2.gz JEGURJZQSNPDLU-UHFFFAOYSA-N 2 2 335.455 2.487 20 30 EEEDLP C[N@@H+](Cc1cccc(C#N)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000602452804 469322290 /nfs/dbraw/zinc/32/22/90/469322290.db2.gz JEGURJZQSNPDLU-UHFFFAOYSA-N 2 2 335.455 2.487 20 30 EEEDLP C=CCOc1ccccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987351 470349325 /nfs/dbraw/zinc/34/93/25/470349325.db2.gz FTZAVGVQAAETKH-UHFFFAOYSA-N 2 2 338.411 2.308 20 30 EEEDLP C=CCCn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC000653610702 471687290 /nfs/dbraw/zinc/68/72/90/471687290.db2.gz UAXQWVGDEJSEAT-UHFFFAOYSA-N 2 2 347.507 2.179 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000106244898 526604005 /nfs/dbraw/zinc/60/40/05/526604005.db2.gz ANPWFWFHISQMOY-UHFFFAOYSA-N 2 2 345.487 2.284 20 30 EEEDLP C#Cc1cccc(NC(=S)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732719869 577189807 /nfs/dbraw/zinc/18/98/07/577189807.db2.gz CUNFHYLMGPSLOO-QGZVFWFLSA-N 2 2 342.512 2.123 20 30 EEEDLP C#Cc1cccc(NC(=S)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732719869 577189808 /nfs/dbraw/zinc/18/98/08/577189808.db2.gz CUNFHYLMGPSLOO-QGZVFWFLSA-N 2 2 342.512 2.123 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC001020571656 675169308 /nfs/dbraw/zinc/16/93/08/675169308.db2.gz RTYGIVPEBRCUQZ-ULQDDVLXSA-N 2 2 349.438 2.138 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634313 676290086 /nfs/dbraw/zinc/29/00/86/676290086.db2.gz YFRHIZPDKIIQLA-DLBZAZTESA-N 2 2 336.439 2.284 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021634313 676290088 /nfs/dbraw/zinc/29/00/88/676290088.db2.gz YFRHIZPDKIIQLA-DLBZAZTESA-N 2 2 336.439 2.284 20 30 EEEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022286245 676796768 /nfs/dbraw/zinc/79/67/68/676796768.db2.gz PVGXBKXZOBRGLC-TXEJJXNPSA-N 2 2 349.232 2.322 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447296 679313952 /nfs/dbraw/zinc/31/39/52/679313952.db2.gz KOGAKXGHAWVMGX-SJORKVTESA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447296 679313953 /nfs/dbraw/zinc/31/39/53/679313953.db2.gz KOGAKXGHAWVMGX-SJORKVTESA-N 2 2 330.476 2.240 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681166 679473242 /nfs/dbraw/zinc/47/32/42/679473242.db2.gz HRBHRBUAULSIHW-KRWDZBQOSA-N 2 2 336.439 2.337 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681166 679473244 /nfs/dbraw/zinc/47/32/44/679473244.db2.gz HRBHRBUAULSIHW-KRWDZBQOSA-N 2 2 336.439 2.337 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023681939 679477312 /nfs/dbraw/zinc/47/73/12/679477312.db2.gz SXIHAJGEYIKFAW-MRXNPFEDSA-N 2 2 339.443 2.285 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023681939 679477315 /nfs/dbraw/zinc/47/73/15/679477315.db2.gz SXIHAJGEYIKFAW-MRXNPFEDSA-N 2 2 339.443 2.285 20 30 EEEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024575509 681221645 /nfs/dbraw/zinc/22/16/45/681221645.db2.gz KQEDTIJGWXMUHO-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024575509 681221648 /nfs/dbraw/zinc/22/16/48/681221648.db2.gz KQEDTIJGWXMUHO-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024651690 681317332 /nfs/dbraw/zinc/31/73/32/681317332.db2.gz BORUVHPHGMFBAP-OAHLLOKOSA-N 2 2 332.448 2.041 20 30 EEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001024651690 681317336 /nfs/dbraw/zinc/31/73/36/681317336.db2.gz BORUVHPHGMFBAP-OAHLLOKOSA-N 2 2 332.448 2.041 20 30 EEEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024756561 681418395 /nfs/dbraw/zinc/41/83/95/681418395.db2.gz SHIREWUXBFNHPR-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024756561 681418397 /nfs/dbraw/zinc/41/83/97/681418397.db2.gz SHIREWUXBFNHPR-INIZCTEOSA-N 2 2 339.443 2.428 20 30 EEEDLP C[NH+]=C(NCC1CCSCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261948175 682558198 /nfs/dbraw/zinc/55/81/98/682558198.db2.gz GNFJURXTCNEUEY-GOEBONIOSA-N 2 2 335.521 2.485 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001026518300 684713592 /nfs/dbraw/zinc/71/35/92/684713592.db2.gz OCIJVXBQASJDSC-QQFBHYJXSA-N 2 2 330.476 2.416 20 30 EEEDLP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001026518300 684713594 /nfs/dbraw/zinc/71/35/94/684713594.db2.gz OCIJVXBQASJDSC-QQFBHYJXSA-N 2 2 330.476 2.416 20 30 EEEDLP N#Cc1ccccc1C[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026582940 684762870 /nfs/dbraw/zinc/76/28/70/684762870.db2.gz FZMMUOHOFNGOMB-UHFFFAOYSA-N 2 2 337.427 2.041 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088620390 1187958611 /nfs/dbraw/zinc/95/86/11/1187958611.db2.gz IDFTYQGJKXCOIV-PMPSAXMXSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088620390 1187958614 /nfs/dbraw/zinc/95/86/14/1187958614.db2.gz IDFTYQGJKXCOIV-PMPSAXMXSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088620390 1187958616 /nfs/dbraw/zinc/95/86/16/1187958616.db2.gz IDFTYQGJKXCOIV-PMPSAXMXSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088620390 1187958618 /nfs/dbraw/zinc/95/86/18/1187958618.db2.gz IDFTYQGJKXCOIV-PMPSAXMXSA-N 2 2 327.900 2.296 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105582908 1188197767 /nfs/dbraw/zinc/19/77/67/1188197767.db2.gz ZPMRLYGCWTVTCN-GOSISDBHSA-N 2 2 342.487 2.438 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034250315 1195983835 /nfs/dbraw/zinc/98/38/35/1195983835.db2.gz RYYRHNLMLTTXSL-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034250315 1195983837 /nfs/dbraw/zinc/98/38/37/1195983837.db2.gz RYYRHNLMLTTXSL-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034250315 1195983839 /nfs/dbraw/zinc/98/38/39/1195983839.db2.gz RYYRHNLMLTTXSL-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034250315 1195983841 /nfs/dbraw/zinc/98/38/41/1195983841.db2.gz RYYRHNLMLTTXSL-OALUTQOASA-N 2 2 345.531 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(CC)CC)C1 ZINC001034250760 1195991432 /nfs/dbraw/zinc/99/14/32/1195991432.db2.gz WNERLBPJFYJJCN-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(CC)CC)C1 ZINC001034250760 1195991435 /nfs/dbraw/zinc/99/14/35/1195991435.db2.gz WNERLBPJFYJJCN-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034250760 1195991437 /nfs/dbraw/zinc/99/14/37/1195991437.db2.gz WNERLBPJFYJJCN-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034250760 1195991439 /nfs/dbraw/zinc/99/14/39/1195991439.db2.gz WNERLBPJFYJJCN-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001133012237 1200333147 /nfs/dbraw/zinc/33/31/47/1200333147.db2.gz PRXRBCSKUZZRDC-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34OCCO4)CC2)cc1 ZINC000883178848 1202026564 /nfs/dbraw/zinc/02/65/64/1202026564.db2.gz GNUIQDYVFTUHPP-IBGZPJMESA-N 2 2 341.455 2.408 20 30 EEEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275550393 1205406748 /nfs/dbraw/zinc/40/67/48/1205406748.db2.gz JMBAEAZNACDXES-FQEVSTJZSA-N 2 2 342.487 2.113 20 30 EEEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275550393 1205406751 /nfs/dbraw/zinc/40/67/51/1205406751.db2.gz JMBAEAZNACDXES-FQEVSTJZSA-N 2 2 342.487 2.113 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000948388134 1209107039 /nfs/dbraw/zinc/10/70/39/1209107039.db2.gz AMAXREKYYLRCGN-KRWDZBQOSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000948388134 1209107041 /nfs/dbraw/zinc/10/70/41/1209107041.db2.gz AMAXREKYYLRCGN-KRWDZBQOSA-N 2 2 330.476 2.261 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948565757 1209226448 /nfs/dbraw/zinc/22/64/48/1209226448.db2.gz IELXWVHNRBQJMK-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948565757 1209226449 /nfs/dbraw/zinc/22/64/49/1209226449.db2.gz IELXWVHNRBQJMK-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957542200 1215196511 /nfs/dbraw/zinc/19/65/11/1215196511.db2.gz YEBHEQQPVZEKKX-UHFFFAOYSA-N 2 2 328.460 2.070 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212032 1217091621 /nfs/dbraw/zinc/09/16/21/1217091621.db2.gz CQZPMKRNQBORME-MSOLQXFVSA-N 2 2 330.476 2.410 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212032 1217091623 /nfs/dbraw/zinc/09/16/23/1217091623.db2.gz CQZPMKRNQBORME-MSOLQXFVSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000961386461 1217169763 /nfs/dbraw/zinc/16/97/63/1217169763.db2.gz LPBZYFBYYVBDKX-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000961386461 1217169765 /nfs/dbraw/zinc/16/97/65/1217169765.db2.gz LPBZYFBYYVBDKX-SFHVURJKSA-N 2 2 344.503 2.489 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1CC ZINC001037929932 1220413231 /nfs/dbraw/zinc/41/32/31/1220413231.db2.gz YTCHVXWUWNYSBG-ZWKOTPCHSA-N 2 2 349.519 2.034 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001014412526 1226588936 /nfs/dbraw/zinc/58/89/36/1226588936.db2.gz IFXZUNDHGHFECI-PBHICJAKSA-N 2 2 346.500 2.183 20 30 EEEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001014412526 1226588940 /nfs/dbraw/zinc/58/89/40/1226588940.db2.gz IFXZUNDHGHFECI-PBHICJAKSA-N 2 2 346.500 2.183 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001014412526 1226588944 /nfs/dbraw/zinc/58/89/44/1226588944.db2.gz IFXZUNDHGHFECI-PBHICJAKSA-N 2 2 346.500 2.183 20 30 EEEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001014412526 1226588952 /nfs/dbraw/zinc/58/89/52/1226588952.db2.gz IFXZUNDHGHFECI-PBHICJAKSA-N 2 2 346.500 2.183 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001016909770 1226963840 /nfs/dbraw/zinc/96/38/40/1226963840.db2.gz MSZYCIMYXCCFSA-LJQANCHMSA-N 2 2 348.450 2.480 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038369979 1229774106 /nfs/dbraw/zinc/77/41/06/1229774106.db2.gz ZHLXWZKQULKIDI-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038369979 1229774107 /nfs/dbraw/zinc/77/41/07/1229774107.db2.gz ZHLXWZKQULKIDI-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038369979 1229774108 /nfs/dbraw/zinc/77/41/08/1229774108.db2.gz ZHLXWZKQULKIDI-OALUTQOASA-N 2 2 331.504 2.245 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001039140460 1230355425 /nfs/dbraw/zinc/35/54/25/1230355425.db2.gz VHDPESRQALVJPE-ZWKOTPCHSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001039140460 1230355426 /nfs/dbraw/zinc/35/54/26/1230355426.db2.gz VHDPESRQALVJPE-ZWKOTPCHSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001040271990 1231145732 /nfs/dbraw/zinc/14/57/32/1231145732.db2.gz WLAXJNFLCWDGOT-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001040271990 1231145734 /nfs/dbraw/zinc/14/57/34/1231145734.db2.gz WLAXJNFLCWDGOT-FXAWDEMLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387784 1231200141 /nfs/dbraw/zinc/20/01/41/1231200141.db2.gz JOZLJJAHSBGKLJ-KXBFYZLASA-N 2 2 328.460 2.330 20 30 EEEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387784 1231200142 /nfs/dbraw/zinc/20/01/42/1231200142.db2.gz JOZLJJAHSBGKLJ-KXBFYZLASA-N 2 2 328.460 2.330 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001041422483 1231540856 /nfs/dbraw/zinc/54/08/56/1231540856.db2.gz ODRONJNZGVDKRA-OXQOHEQNSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001041422483 1231540859 /nfs/dbraw/zinc/54/08/59/1231540859.db2.gz ODRONJNZGVDKRA-OXQOHEQNSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001041422483 1231540861 /nfs/dbraw/zinc/54/08/61/1231540861.db2.gz ODRONJNZGVDKRA-OXQOHEQNSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001041422483 1231540863 /nfs/dbraw/zinc/54/08/63/1231540863.db2.gz ODRONJNZGVDKRA-OXQOHEQNSA-N 2 2 342.487 2.324 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001046767181 1235165281 /nfs/dbraw/zinc/16/52/81/1235165281.db2.gz GSFJVKGXFOPAAH-IBGZPJMESA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001046767181 1235165284 /nfs/dbraw/zinc/16/52/84/1235165284.db2.gz GSFJVKGXFOPAAH-IBGZPJMESA-N 2 2 339.443 2.428 20 30 EEEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001047264773 1235776085 /nfs/dbraw/zinc/77/60/85/1235776085.db2.gz RXEIWQYBUCUZQP-KRWDZBQOSA-N 2 2 330.476 2.099 20 30 EEEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000697539 1240753034 /nfs/dbraw/zinc/75/30/34/1240753034.db2.gz XVFZHZAEPLWKBO-JKSUJKDBSA-N 2 2 325.884 2.218 20 30 EEEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000697539 1240753040 /nfs/dbraw/zinc/75/30/40/1240753040.db2.gz XVFZHZAEPLWKBO-JKSUJKDBSA-N 2 2 325.884 2.218 20 30 EEEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 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ZINC001054285633 1248008665 /nfs/dbraw/zinc/00/86/65/1248008665.db2.gz RRLAOUJFTRSEGX-UXHICEINSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)cc2C1 ZINC001054285633 1248008678 /nfs/dbraw/zinc/00/86/78/1248008678.db2.gz RRLAOUJFTRSEGX-UXHICEINSA-N 2 2 337.467 2.269 20 30 EEEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)cc2C1 ZINC001054285633 1248008689 /nfs/dbraw/zinc/00/86/89/1248008689.db2.gz RRLAOUJFTRSEGX-UXHICEINSA-N 2 2 337.467 2.269 20 30 EEEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547451 1254318263 /nfs/dbraw/zinc/31/82/63/1254318263.db2.gz UQKPFDWVNVDJOM-GOEBONIOSA-N 2 2 333.501 2.416 20 30 EEEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547451 1254318267 /nfs/dbraw/zinc/31/82/67/1254318267.db2.gz UQKPFDWVNVDJOM-GOEBONIOSA-N 2 2 333.501 2.416 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001072870366 1255446281 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20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227176085 1301721474 /nfs/dbraw/zinc/72/14/74/1301721474.db2.gz SMCGBODJRZXITM-BRWVUGGUSA-N 2 2 330.476 2.429 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688265 1303228804 /nfs/dbraw/zinc/22/88/04/1303228804.db2.gz SOZIGGQCUHRWMF-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688265 1303228813 /nfs/dbraw/zinc/22/88/13/1303228813.db2.gz SOZIGGQCUHRWMF-IAGOWNOFSA-N 2 2 332.492 2.393 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)[NH+](C)C ZINC001235588521 1305290058 /nfs/dbraw/zinc/29/00/58/1305290058.db2.gz KIUJOPFABSZXHK-OALUTQOASA-N 2 2 342.487 2.177 20 30 EEEDLP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)[NH+](C)C ZINC001235588521 1305290064 /nfs/dbraw/zinc/29/00/64/1305290064.db2.gz KIUJOPFABSZXHK-OALUTQOASA-N 2 2 342.487 2.177 20 30 EEEDLP 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2.119 20 30 EEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758267 1321954479 /nfs/dbraw/zinc/95/44/79/1321954479.db2.gz VJXPVGKEDWBKLI-FQEVSTJZSA-N 2 2 343.471 2.119 20 30 EEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758267 1321954481 /nfs/dbraw/zinc/95/44/81/1321954481.db2.gz VJXPVGKEDWBKLI-FQEVSTJZSA-N 2 2 343.471 2.119 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208450284 1324502772 /nfs/dbraw/zinc/50/27/72/1324502772.db2.gz COXRPQGYAKFTQJ-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208450284 1324502775 /nfs/dbraw/zinc/50/27/75/1324502775.db2.gz COXRPQGYAKFTQJ-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001209911495 1325094758 /nfs/dbraw/zinc/09/47/58/1325094758.db2.gz XCPFMTJGKXURFH-GOSISDBHSA-N 2 2 349.519 2.178 20 30 EEEDLP O=C(C#CC1CC[NH2+]CC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 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C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000981813694 778238459 /nfs/dbraw/zinc/23/84/59/778238459.db2.gz QIKWHPICDMRSDM-LJQANCHMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000981813694 778238467 /nfs/dbraw/zinc/23/84/67/778238467.db2.gz QIKWHPICDMRSDM-LJQANCHMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000981813694 778238474 /nfs/dbraw/zinc/23/84/74/778238474.db2.gz QIKWHPICDMRSDM-LJQANCHMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000981813694 778238480 /nfs/dbraw/zinc/23/84/80/778238480.db2.gz QIKWHPICDMRSDM-LJQANCHMSA-N 2 2 349.519 2.130 20 30 EEEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713462 779532938 /nfs/dbraw/zinc/53/29/38/779532938.db2.gz MOMUVWXEAGXAPR-PKOBYXMFSA-N 2 2 338.455 2.421 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@]2(C)C1 ZINC000982319623 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TYKSUIKLRBONEO-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001479913769 1099316033 /nfs/dbraw/zinc/31/60/33/1099316033.db2.gz TYKSUIKLRBONEO-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001479913769 1099316045 /nfs/dbraw/zinc/31/60/45/1099316045.db2.gz TYKSUIKLRBONEO-LJQANCHMSA-N 2 2 342.487 2.371 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCO[C@@H]3CCOC3)CC2)cc1 ZINC000181887882 234368123 /nfs/dbraw/zinc/36/81/23/234368123.db2.gz SFWXNFOWFIIQJD-HXUWFJFHSA-N 2 2 343.471 2.308 20 30 EEEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000442791858 242114980 /nfs/dbraw/zinc/11/49/80/242114980.db2.gz OMMLXXHUMBOXIK-AEFFLSMTSA-N 2 2 329.444 2.179 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000566017203 319236180 /nfs/dbraw/zinc/23/61/80/319236180.db2.gz ADUHEDXOJACBMN-ZDUSSCGKSA-N 2 2 329.429 2.171 20 30 EEEDLP 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ZINC000157531425 463139963 /nfs/dbraw/zinc/13/99/63/463139963.db2.gz BLYAWEJSNOONIZ-ZIFCJYIRSA-N 2 2 334.508 2.380 20 30 EEEDLP NC(=[NH+]OCC1CCCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000151729776 463581112 /nfs/dbraw/zinc/58/11/12/463581112.db2.gz URUMKNCXUOGANO-UHFFFAOYSA-N 2 2 331.460 2.470 20 30 EEEDLP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262007340 463924157 /nfs/dbraw/zinc/92/41/57/463924157.db2.gz VXIHWKDGJBJTKZ-CXAGYDPISA-N 2 2 344.463 2.189 20 30 EEEDLP CC[NH+]=C(NCCc1ccccn1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262006692 463924349 /nfs/dbraw/zinc/92/43/49/463924349.db2.gz VSUFSYFQYBNSIY-SJLPKXTDSA-N 2 2 340.475 2.369 20 30 EEEDLP C=C(C)COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1OC ZINC000237176353 464279000 /nfs/dbraw/zinc/27/90/00/464279000.db2.gz NGNUITUMXAMMEQ-QGZVFWFLSA-N 2 2 334.460 2.196 20 30 EEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271679600 464359377 /nfs/dbraw/zinc/35/93/77/464359377.db2.gz JFYRWYKGNVAAQM-CQSZACIVSA-N 2 2 337.489 2.025 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281243767 464384370 /nfs/dbraw/zinc/38/43/70/464384370.db2.gz GIEQRARYEZFRDP-WDSOQIARSA-N 2 2 327.472 2.274 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000281243767 464384377 /nfs/dbraw/zinc/38/43/77/464384377.db2.gz GIEQRARYEZFRDP-WDSOQIARSA-N 2 2 327.472 2.274 20 30 EEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000271891329 464402893 /nfs/dbraw/zinc/40/28/93/464402893.db2.gz RYOXIXKBCZVGOD-YJBOKZPZSA-N 2 2 328.460 2.152 20 30 EEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000271891329 464402899 /nfs/dbraw/zinc/40/28/99/464402899.db2.gz RYOXIXKBCZVGOD-YJBOKZPZSA-N 2 2 328.460 2.152 20 30 EEEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000294697839 464578135 /nfs/dbraw/zinc/57/81/35/464578135.db2.gz BBEANMADNPQEHN-UHFFFAOYSA-N 2 2 344.455 2.206 20 30 EEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccc(C#N)cc2)cc1 ZINC000267001062 464900484 /nfs/dbraw/zinc/90/04/84/464900484.db2.gz HKAINYDKMNXZEW-UHFFFAOYSA-N 2 2 338.411 2.336 20 30 EEEDLP [O-]C(=[NH+]C1CC[NH+](C2CCCCC2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329639769 465395578 /nfs/dbraw/zinc/39/55/78/465395578.db2.gz ZKJNYQHARYHZSH-UHFFFAOYSA-N 2 2 331.464 2.410 20 30 EEEDLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329639769 465395584 /nfs/dbraw/zinc/39/55/84/465395584.db2.gz ZKJNYQHARYHZSH-UHFFFAOYSA-N 2 2 331.464 2.410 20 30 EEEDLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000329673948 465403940 /nfs/dbraw/zinc/40/39/40/465403940.db2.gz TULPHQIDOQYZKE-INIZCTEOSA-N 2 2 331.464 2.410 20 30 EEEDLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000329673948 465403946 /nfs/dbraw/zinc/40/39/46/465403946.db2.gz TULPHQIDOQYZKE-INIZCTEOSA-N 2 2 331.464 2.410 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275712 465525714 /nfs/dbraw/zinc/52/57/14/465525714.db2.gz KLFGKLFCFZHOHK-WMZOPIPTSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348275712 465525719 /nfs/dbraw/zinc/52/57/19/465525719.db2.gz KLFGKLFCFZHOHK-WMZOPIPTSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348275712 465525720 /nfs/dbraw/zinc/52/57/20/465525720.db2.gz KLFGKLFCFZHOHK-WMZOPIPTSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275712 465525725 /nfs/dbraw/zinc/52/57/25/465525725.db2.gz KLFGKLFCFZHOHK-WMZOPIPTSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424128459 466984708 /nfs/dbraw/zinc/98/47/08/466984708.db2.gz FKNSHPYRMQMPCO-HLLBOEOZSA-N 2 2 344.459 2.255 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424128459 466984710 /nfs/dbraw/zinc/98/47/10/466984710.db2.gz FKNSHPYRMQMPCO-HLLBOEOZSA-N 2 2 344.459 2.255 20 30 EEEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000424134996 466986573 /nfs/dbraw/zinc/98/65/73/466986573.db2.gz LOIFTACGNBAWHM-MRXNPFEDSA-N 2 2 334.851 2.005 20 30 EEEDLP C[C@H](c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1)[NH+]1CCOCC1 ZINC000424141493 466988786 /nfs/dbraw/zinc/98/87/86/466988786.db2.gz CSGDNGIOEHQZIL-RHSMWYFYSA-N 2 2 330.432 2.039 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000571875007 468852036 /nfs/dbraw/zinc/85/20/36/468852036.db2.gz HIWKFMYBHMXCEX-IPELMVKDSA-N 2 2 330.472 2.227 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000571875007 468852041 /nfs/dbraw/zinc/85/20/41/468852041.db2.gz HIWKFMYBHMXCEX-IPELMVKDSA-N 2 2 330.472 2.227 20 30 EEEDLP Cc1cc(N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000598589451 468923664 /nfs/dbraw/zinc/92/36/64/468923664.db2.gz NVUUAFGBRRAYBM-MRXNPFEDSA-N 2 2 345.491 2.331 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157790 469898469 /nfs/dbraw/zinc/89/84/69/469898469.db2.gz XBJVIDKDUNAOQY-JKSUJKDBSA-N 2 2 329.448 2.251 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157790 469898470 /nfs/dbraw/zinc/89/84/70/469898470.db2.gz XBJVIDKDUNAOQY-JKSUJKDBSA-N 2 2 329.448 2.251 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000365419304 526583422 /nfs/dbraw/zinc/58/34/22/526583422.db2.gz TZYJQKGRKHGISE-UHFFFAOYSA-N 2 2 345.491 2.401 20 30 EEEDLP CCC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181905971 528354059 /nfs/dbraw/zinc/35/40/59/528354059.db2.gz QUFGWIHISXALMQ-LJQANCHMSA-N 2 2 340.471 2.123 20 30 EEEDLP N#Cc1cccn(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1=O ZINC000758202982 577618367 /nfs/dbraw/zinc/61/83/67/577618367.db2.gz BSEFEYQABZBDLI-UHFFFAOYSA-N 2 2 328.460 2.265 20 30 EEEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]NC2CCOCC2)CC1 ZINC000757591010 577860853 /nfs/dbraw/zinc/86/08/53/577860853.db2.gz BXEBBKWQVAHGPS-UHFFFAOYSA-N 2 2 336.867 2.194 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000969716896 675173364 /nfs/dbraw/zinc/17/33/64/675173364.db2.gz KUCWPVUIXUYJDI-KDOFPFPSSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000969716896 675173365 /nfs/dbraw/zinc/17/33/65/675173365.db2.gz KUCWPVUIXUYJDI-KDOFPFPSSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451110 679316514 /nfs/dbraw/zinc/31/65/14/679316514.db2.gz FVYYFVNUAYYJLR-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451110 679316516 /nfs/dbraw/zinc/31/65/16/679316516.db2.gz FVYYFVNUAYYJLR-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451110 679316518 /nfs/dbraw/zinc/31/65/18/679316518.db2.gz FVYYFVNUAYYJLR-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451110 679316519 /nfs/dbraw/zinc/31/65/19/679316519.db2.gz FVYYFVNUAYYJLR-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024487381 679967252 /nfs/dbraw/zinc/96/72/52/679967252.db2.gz OAQQQQFUTXDIEW-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024487381 679967263 /nfs/dbraw/zinc/96/72/63/679967263.db2.gz OAQQQQFUTXDIEW-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024487381 679967258 /nfs/dbraw/zinc/96/72/58/679967258.db2.gz OAQQQQFUTXDIEW-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024487381 679967269 /nfs/dbraw/zinc/96/72/69/679967269.db2.gz OAQQQQFUTXDIEW-ROUUACIJSA-N 2 2 333.520 2.491 20 30 EEEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024578424 681227880 /nfs/dbraw/zinc/22/78/80/681227880.db2.gz STJBTHHGJGDZKB-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001024578424 681227883 /nfs/dbraw/zinc/22/78/83/681227883.db2.gz STJBTHHGJGDZKB-LJQANCHMSA-N 2 2 336.439 2.480 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287979 682395491 /nfs/dbraw/zinc/39/54/91/682395491.db2.gz ILZPJVIAIHYWDX-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025287979 682395494 /nfs/dbraw/zinc/39/54/94/682395494.db2.gz ILZPJVIAIHYWDX-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289813 682401089 /nfs/dbraw/zinc/40/10/89/682401089.db2.gz SXGLQGRMJUCBFU-ZWKOTPCHSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289813 682401093 /nfs/dbraw/zinc/40/10/93/682401093.db2.gz SXGLQGRMJUCBFU-ZWKOTPCHSA-N 2 2 330.476 2.384 20 30 EEEDLP CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261954246 682625900 /nfs/dbraw/zinc/62/59/00/682625900.db2.gz IGFSHBKXSOSDKF-ULQDDVLXSA-N 2 2 333.480 2.301 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000989560994 692044625 /nfs/dbraw/zinc/04/46/25/692044625.db2.gz ZYCZSCSMOWDOOY-CVEARBPZSA-N 2 2 326.444 2.340 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943877041 1192646819 /nfs/dbraw/zinc/64/68/19/1192646819.db2.gz LFJJQIYQZGEOJG-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943877041 1192646821 /nfs/dbraw/zinc/64/68/21/1192646821.db2.gz LFJJQIYQZGEOJG-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274179 1196028718 /nfs/dbraw/zinc/02/87/18/1196028718.db2.gz KQVBOMXDCQYNFL-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274179 1196028720 /nfs/dbraw/zinc/02/87/20/1196028720.db2.gz KQVBOMXDCQYNFL-IRXDYDNUSA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001014769214 1224319185 /nfs/dbraw/zinc/31/91/85/1224319185.db2.gz IXNVKSYJXAYKPJ-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001014769214 1224319194 /nfs/dbraw/zinc/31/91/94/1224319194.db2.gz IXNVKSYJXAYKPJ-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001014769214 1224319199 /nfs/dbraw/zinc/31/91/99/1224319199.db2.gz IXNVKSYJXAYKPJ-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001014769214 1224319206 /nfs/dbraw/zinc/31/92/06/1224319206.db2.gz IXNVKSYJXAYKPJ-PMACEKPBSA-N 2 2 339.483 2.092 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014774802 1224329471 /nfs/dbraw/zinc/32/94/71/1224329471.db2.gz IIRONLASWHGKKH-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014774802 1224329479 /nfs/dbraw/zinc/32/94/79/1224329479.db2.gz IIRONLASWHGKKH-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014774802 1224329488 /nfs/dbraw/zinc/32/94/88/1224329488.db2.gz IIRONLASWHGKKH-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014774802 1224329497 /nfs/dbraw/zinc/32/94/97/1224329497.db2.gz IIRONLASWHGKKH-MOPGFXCFSA-N 2 2 331.504 2.245 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001034678180 1196522689 /nfs/dbraw/zinc/52/26/89/1196522689.db2.gz OCIJVXBQASJDSC-BZUAXINKSA-N 2 2 330.476 2.416 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001034678180 1196522693 /nfs/dbraw/zinc/52/26/93/1196522693.db2.gz OCIJVXBQASJDSC-BZUAXINKSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202551966 1201975836 /nfs/dbraw/zinc/97/58/36/1201975836.db2.gz GUZFJFYVCIQREZ-DJIMGWMZSA-N 2 2 330.476 2.459 20 30 EEEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001114490885 1212068802 /nfs/dbraw/zinc/06/88/02/1212068802.db2.gz LBKHQOBLYRMYMU-IMBTUZDBSA-N 2 2 344.503 2.462 20 30 EEEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001114490885 1212068810 /nfs/dbraw/zinc/06/88/10/1212068810.db2.gz LBKHQOBLYRMYMU-IMBTUZDBSA-N 2 2 344.503 2.462 20 30 EEEDLP C#CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615374 1215258519 /nfs/dbraw/zinc/25/85/19/1215258519.db2.gz ZQQSLPAGMYPLRH-KRWDZBQOSA-N 2 2 328.460 2.172 20 30 EEEDLP 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C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497313 1221353112 /nfs/dbraw/zinc/35/31/12/1221353112.db2.gz JKLGAINYQJIJHB-QFBILLFUSA-N 2 2 336.439 2.336 20 30 EEEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968919386 1221669652 /nfs/dbraw/zinc/66/96/52/1221669652.db2.gz ARZDLLWZPKXJGY-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968919386 1221669654 /nfs/dbraw/zinc/66/96/54/1221669654.db2.gz ARZDLLWZPKXJGY-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965496 1221704826 /nfs/dbraw/zinc/70/48/26/1221704826.db2.gz QPJKWYHUPQXTDO-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965496 1221704830 /nfs/dbraw/zinc/70/48/30/1221704830.db2.gz QPJKWYHUPQXTDO-IBGZPJMESA-N 2 2 336.439 2.480 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001016338248 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CTKWDRGZFLHHMQ-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038319861 1229742128 /nfs/dbraw/zinc/74/21/28/1229742128.db2.gz CTKWDRGZFLHHMQ-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038319861 1229742130 /nfs/dbraw/zinc/74/21/30/1229742130.db2.gz CTKWDRGZFLHHMQ-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038319861 1229742133 /nfs/dbraw/zinc/74/21/33/1229742133.db2.gz CTKWDRGZFLHHMQ-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042081930 1231875348 /nfs/dbraw/zinc/87/53/48/1231875348.db2.gz BRODCYKXMKLRRS-WBVHZDCISA-N 2 2 345.512 2.369 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042081930 1231875350 /nfs/dbraw/zinc/87/53/50/1231875350.db2.gz BRODCYKXMKLRRS-WBVHZDCISA-N 2 2 345.512 2.369 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001042168371 1231931787 /nfs/dbraw/zinc/93/17/87/1231931787.db2.gz UUXDXLNLMAJUOF-APWZRJJASA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001042168371 1231931789 /nfs/dbraw/zinc/93/17/89/1231931789.db2.gz UUXDXLNLMAJUOF-APWZRJJASA-N 2 2 334.423 2.042 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001042963054 1232211402 /nfs/dbraw/zinc/21/14/02/1232211402.db2.gz OAHCNRXWYYECBO-PMACEKPBSA-N 2 2 339.483 2.378 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001042963054 1232211407 /nfs/dbraw/zinc/21/14/07/1232211407.db2.gz OAHCNRXWYYECBO-PMACEKPBSA-N 2 2 339.483 2.378 20 30 EEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001044808156 1233281201 /nfs/dbraw/zinc/28/12/01/1233281201.db2.gz LFBVYSLOTZRECK-CABCVRRESA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC001044808159 1233281548 /nfs/dbraw/zinc/28/15/48/1233281548.db2.gz LFBVYSLOTZRECK-LSDHHAIUSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC001044808157 1233281589 /nfs/dbraw/zinc/28/15/89/1233281589.db2.gz LFBVYSLOTZRECK-GJZGRUSLSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046434701 1234797731 /nfs/dbraw/zinc/79/77/31/1234797731.db2.gz QJZIMUFNPATQPH-BEFAXECRSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046434701 1234797733 /nfs/dbraw/zinc/79/77/33/1234797733.db2.gz QJZIMUFNPATQPH-BEFAXECRSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046434701 1234797738 /nfs/dbraw/zinc/79/77/38/1234797738.db2.gz QJZIMUFNPATQPH-BEFAXECRSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046434701 1234797743 /nfs/dbraw/zinc/79/77/43/1234797743.db2.gz QJZIMUFNPATQPH-BEFAXECRSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001047263228 1235773665 /nfs/dbraw/zinc/77/36/65/1235773665.db2.gz CESCLPKAUCWVSE-GOSISDBHSA-N 2 2 344.503 2.489 20 30 EEEDLP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001000993262 1241400746 /nfs/dbraw/zinc/40/07/46/1241400746.db2.gz ANINRKPHSGBNGQ-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001000993262 1241400754 /nfs/dbraw/zinc/40/07/54/1241400754.db2.gz ANINRKPHSGBNGQ-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC001000993262 1241400758 /nfs/dbraw/zinc/40/07/58/1241400758.db2.gz ANINRKPHSGBNGQ-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC001000993262 1241400765 /nfs/dbraw/zinc/40/07/65/1241400765.db2.gz ANINRKPHSGBNGQ-IBGZPJMESA-N 2 2 349.519 2.202 20 30 EEEDLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC#Cc1ccccc1 ZINC001049749709 1242080042 /nfs/dbraw/zinc/08/00/42/1242080042.db2.gz FFRFBXFHFPOXAU-PMACEKPBSA-N 2 2 348.450 2.069 20 30 EEEDLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049749709 1242080049 /nfs/dbraw/zinc/08/00/49/1242080049.db2.gz FFRFBXFHFPOXAU-PMACEKPBSA-N 2 2 348.450 2.069 20 30 EEEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001001544080 1242458546 /nfs/dbraw/zinc/45/85/46/1242458546.db2.gz XVZLFJFEHWLZTI-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)CC1 ZINC001050718085 1244202316 /nfs/dbraw/zinc/20/23/16/1244202316.db2.gz YJVDYFDHBLMIOM-UHFFFAOYSA-N 2 2 334.423 2.044 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098139 1245899767 /nfs/dbraw/zinc/89/97/67/1245899767.db2.gz 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798292644 /nfs/dbraw/zinc/29/26/44/798292644.db2.gz DPUXKXPWYFUNCE-KRWDZBQOSA-N 2 2 338.455 2.496 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751653 798429107 /nfs/dbraw/zinc/42/91/07/798429107.db2.gz VWBXETCZMJJDET-IAGOWNOFSA-N 2 2 339.911 2.392 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751653 798429109 /nfs/dbraw/zinc/42/91/09/798429109.db2.gz VWBXETCZMJJDET-IAGOWNOFSA-N 2 2 339.911 2.392 20 30 EEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176727835 798539223 /nfs/dbraw/zinc/53/92/23/798539223.db2.gz AXILSFNTZYTJAL-HNNXBMFYSA-N 2 2 333.501 2.004 20 30 EEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176727835 798539225 /nfs/dbraw/zinc/53/92/25/798539225.db2.gz AXILSFNTZYTJAL-HNNXBMFYSA-N 2 2 333.501 2.004 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001002874800 798756141 /nfs/dbraw/zinc/75/61/41/798756141.db2.gz JDLPFTPXJUPKAX-UHFFFAOYSA-N 2 2 330.476 2.309 20 30 EEEDLP C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177493412 798983088 /nfs/dbraw/zinc/98/30/88/798983088.db2.gz WSEGPYJRWFDWJO-UHFFFAOYSA-N 2 2 348.491 2.084 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590748 806732601 /nfs/dbraw/zinc/73/26/01/806732601.db2.gz ONQKGAKVYLVTNL-LNLFQRSKSA-N 2 2 330.476 2.456 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009671 799744750 /nfs/dbraw/zinc/74/47/50/799744750.db2.gz LNKVLYPGHNRYLO-UHFFFAOYSA-N 2 2 344.459 2.417 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183304533 801555916 /nfs/dbraw/zinc/55/59/16/801555916.db2.gz UFRXSDSMYJHNLP-VQIMIIECSA-N 2 2 332.492 2.393 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541894 802335300 /nfs/dbraw/zinc/33/53/00/802335300.db2.gz LNYKYGQEPNCDMR-SJLPKXTDSA-N 2 2 340.471 2.166 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004541894 802335309 /nfs/dbraw/zinc/33/53/09/802335309.db2.gz LNYKYGQEPNCDMR-SJLPKXTDSA-N 2 2 340.471 2.166 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004571882 802392817 /nfs/dbraw/zinc/39/28/17/802392817.db2.gz XCDSLKHPJCRPQB-SJLPKXTDSA-N 2 2 328.460 2.170 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004571882 802392827 /nfs/dbraw/zinc/39/28/27/802392827.db2.gz XCDSLKHPJCRPQB-SJLPKXTDSA-N 2 2 328.460 2.170 20 30 EEEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+](C)C ZINC001109446066 805479281 /nfs/dbraw/zinc/47/92/81/805479281.db2.gz IGCPYKGJGBYWMA-HCXYKTFWSA-N 2 2 340.471 2.120 20 30 EEEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+](C)C ZINC001109446066 805479286 /nfs/dbraw/zinc/47/92/86/805479286.db2.gz IGCPYKGJGBYWMA-HCXYKTFWSA-N 2 2 340.471 2.120 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001113037900 807914300 /nfs/dbraw/zinc/91/43/00/807914300.db2.gz VHTZCXXGNMRNRV-GOEBONIOSA-N 2 2 330.476 2.322 20 30 EEEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001113037900 807914304 /nfs/dbraw/zinc/91/43/04/807914304.db2.gz VHTZCXXGNMRNRV-GOEBONIOSA-N 2 2 330.476 2.322 20 30 EEEDLP Cc1cnc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000329244138 539769709 /nfs/dbraw/zinc/76/97/09/539769709.db2.gz POVPWAILYFYTFP-CQSZACIVSA-N 2 2 349.479 2.106 20 30 EEEDLP CC(C)[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000329817848 539784638 /nfs/dbraw/zinc/78/46/38/539784638.db2.gz FYRZQTVPFUXDQB-INIZCTEOSA-N 2 2 333.480 2.369 20 30 EEEDLP C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181876119 234363370 /nfs/dbraw/zinc/36/33/70/234363370.db2.gz DSHNQPKGKDMKCL-OXJNMPFZSA-N 2 2 343.471 2.306 20 30 EEEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330697788 270019020 /nfs/dbraw/zinc/01/90/20/270019020.db2.gz LAANWGIJAWNJCC-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330697788 270019021 /nfs/dbraw/zinc/01/90/21/270019021.db2.gz LAANWGIJAWNJCC-IBGZPJMESA-N 2 2 340.471 2.077 20 30 EEEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534126505 270022800 /nfs/dbraw/zinc/02/28/00/270022800.db2.gz KNRHOUOSJKWEQD-SFHVURJKSA-N 2 2 335.411 2.056 20 30 EEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264287 277069896 /nfs/dbraw/zinc/06/98/96/277069896.db2.gz RVBYIQZNUDPLMY-QRQLOZEOSA-N 2 2 338.455 2.080 20 30 EEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264287 277069898 /nfs/dbraw/zinc/06/98/98/277069898.db2.gz RVBYIQZNUDPLMY-QRQLOZEOSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264287 277069899 /nfs/dbraw/zinc/06/98/99/277069899.db2.gz RVBYIQZNUDPLMY-QRQLOZEOSA-N 2 2 338.455 2.080 20 30 EEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000247264287 277069900 /nfs/dbraw/zinc/06/99/00/277069900.db2.gz RVBYIQZNUDPLMY-QRQLOZEOSA-N 2 2 338.455 2.080 20 30 EEEDLP N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)C2=O)cc1 ZINC000569591843 319591540 /nfs/dbraw/zinc/59/15/40/319591540.db2.gz ABGQFDSRVIQLEC-UFYCRDLUSA-N 2 2 346.434 2.394 20 30 EEEDLP N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)C2=O)cc1 ZINC000569591841 319591756 /nfs/dbraw/zinc/59/17/56/319591756.db2.gz ABGQFDSRVIQLEC-HSALFYBXSA-N 2 2 346.434 2.394 20 30 EEEDLP C=C(C)C[N@@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000061758767 462598516 /nfs/dbraw/zinc/59/85/16/462598516.db2.gz JUGQOHWKARMDEG-UHFFFAOYSA-N 2 2 337.508 2.036 20 30 EEEDLP C=C(C)C[N@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000061758767 462598520 /nfs/dbraw/zinc/59/85/20/462598520.db2.gz JUGQOHWKARMDEG-UHFFFAOYSA-N 2 2 337.508 2.036 20 30 EEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(OC)cc1 ZINC000056291368 463390546 /nfs/dbraw/zinc/39/05/46/463390546.db2.gz FQYXSNPCSFHOBG-UHFFFAOYSA-N 2 2 345.487 2.284 20 30 EEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(OC)cc1 ZINC000056291368 463390552 /nfs/dbraw/zinc/39/05/52/463390552.db2.gz FQYXSNPCSFHOBG-UHFFFAOYSA-N 2 2 345.487 2.284 20 30 EEEDLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000104719547 463420611 /nfs/dbraw/zinc/42/06/11/463420611.db2.gz LMKFDHLMHSNWJN-UHFFFAOYSA-N 2 2 338.411 2.163 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000057172688 463461796 /nfs/dbraw/zinc/46/17/96/463461796.db2.gz ZKPFSZJYIFXGAO-UHFFFAOYSA-N 2 2 340.471 2.033 20 30 EEEDLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000362231547 465593430 /nfs/dbraw/zinc/59/34/30/465593430.db2.gz UEZONNJXUFZGMI-INIZCTEOSA-N 2 2 342.487 2.146 20 30 EEEDLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000362231547 465593435 /nfs/dbraw/zinc/59/34/35/465593435.db2.gz UEZONNJXUFZGMI-INIZCTEOSA-N 2 2 342.487 2.146 20 30 EEEDLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000349386404 466094463 /nfs/dbraw/zinc/09/44/63/466094463.db2.gz SKWTUJSMCRUYNW-HOTGVXAUSA-N 2 2 347.459 2.241 20 30 EEEDLP C=CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357106 466364465 /nfs/dbraw/zinc/36/44/65/466364465.db2.gz WXTAGTFVGZOJMV-HXUWFJFHSA-N 2 2 327.472 2.277 20 30 EEEDLP C=CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357106 466364475 /nfs/dbraw/zinc/36/44/75/466364475.db2.gz WXTAGTFVGZOJMV-HXUWFJFHSA-N 2 2 327.472 2.277 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363357106 466364481 /nfs/dbraw/zinc/36/44/81/466364481.db2.gz WXTAGTFVGZOJMV-HXUWFJFHSA-N 2 2 327.472 2.277 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363357106 466364485 /nfs/dbraw/zinc/36/44/85/466364485.db2.gz WXTAGTFVGZOJMV-HXUWFJFHSA-N 2 2 327.472 2.277 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362081477 466539844 /nfs/dbraw/zinc/53/98/44/466539844.db2.gz WPNBDBVXZIRJMB-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362081477 466539850 /nfs/dbraw/zinc/53/98/50/466539850.db2.gz WPNBDBVXZIRJMB-BEFAXECRSA-N 2 2 330.451 2.155 20 30 EEEDLP C=CCOc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000378355247 467276501 /nfs/dbraw/zinc/27/65/01/467276501.db2.gz NVATXPPXQDUTMU-LJQANCHMSA-N 2 2 329.488 2.463 20 30 EEEDLP C=CCOc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000378355247 467276506 /nfs/dbraw/zinc/27/65/06/467276506.db2.gz NVATXPPXQDUTMU-LJQANCHMSA-N 2 2 329.488 2.463 20 30 EEEDLP C[N@H+](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000387506473 467394118 /nfs/dbraw/zinc/39/41/18/467394118.db2.gz YEZLLYDHUHPWGR-IBGZPJMESA-N 2 2 339.439 2.020 20 30 EEEDLP C[N@@H+](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000387506473 467394121 /nfs/dbraw/zinc/39/41/21/467394121.db2.gz YEZLLYDHUHPWGR-IBGZPJMESA-N 2 2 339.439 2.020 20 30 EEEDLP C=C(C)C[C@@H](C)C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000515177814 467977456 /nfs/dbraw/zinc/97/74/56/467977456.db2.gz RNPNCIPLHLQBIO-HZPDHXFCSA-N 2 2 330.476 2.493 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533425537 468198791 /nfs/dbraw/zinc/19/87/91/468198791.db2.gz BLYAWEJSNOONIZ-ZHALLVOQSA-N 2 2 334.508 2.380 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533425537 468198797 /nfs/dbraw/zinc/19/87/97/468198797.db2.gz BLYAWEJSNOONIZ-ZHALLVOQSA-N 2 2 334.508 2.380 20 30 EEEDLP C=CCn1c(CC)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000569917912 468562857 /nfs/dbraw/zinc/56/28/57/468562857.db2.gz LDTQRVWWEHOVSC-UHFFFAOYSA-N 2 2 346.523 2.023 20 30 EEEDLP C=CCn1c(CC)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000569917912 468562861 /nfs/dbraw/zinc/56/28/61/468562861.db2.gz LDTQRVWWEHOVSC-UHFFFAOYSA-N 2 2 346.523 2.023 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000592071208 468611638 /nfs/dbraw/zinc/61/16/38/468611638.db2.gz LPFYDYDBWXCBSN-UHFFFAOYSA-N 2 2 326.444 2.342 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000592351868 468681438 /nfs/dbraw/zinc/68/14/38/468681438.db2.gz OZAJLUPQSWUZPC-KRWDZBQOSA-N 2 2 331.464 2.270 20 30 EEEDLP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160020645 526356503 /nfs/dbraw/zinc/35/65/03/526356503.db2.gz IBGBEIJZNLOIGA-OKZBNKHCSA-N 3 2 346.523 2.073 20 30 EEEDLP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160020645 526356507 /nfs/dbraw/zinc/35/65/07/526356507.db2.gz IBGBEIJZNLOIGA-OKZBNKHCSA-N 3 2 346.523 2.073 20 30 EEEDLP C[NH+]=C(NCc1ncccc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160086641 526390088 /nfs/dbraw/zinc/39/00/88/526390088.db2.gz IXWIRNUMUKYIHH-RDJZCZTQSA-N 2 2 326.448 2.245 20 30 EEEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159024674 526542646 /nfs/dbraw/zinc/54/26/46/526542646.db2.gz SXGXAHCMHAUQRT-MOPGFXCFSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159024674 526542649 /nfs/dbraw/zinc/54/26/49/526542649.db2.gz SXGXAHCMHAUQRT-MOPGFXCFSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159024674 526542651 /nfs/dbraw/zinc/54/26/51/526542651.db2.gz SXGXAHCMHAUQRT-MOPGFXCFSA-N 2 2 327.472 2.275 20 30 EEEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159024674 526542655 /nfs/dbraw/zinc/54/26/55/526542655.db2.gz SXGXAHCMHAUQRT-MOPGFXCFSA-N 2 2 327.472 2.275 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000106066255 526605883 /nfs/dbraw/zinc/60/58/83/526605883.db2.gz GVWZUFVGHSGRBM-MRXNPFEDSA-N 2 2 345.491 2.138 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000106066255 526605888 /nfs/dbraw/zinc/60/58/88/526605888.db2.gz GVWZUFVGHSGRBM-MRXNPFEDSA-N 2 2 345.491 2.138 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000730096835 576714458 /nfs/dbraw/zinc/71/44/58/576714458.db2.gz ZCRRSKYJGPCNCY-RBUKOAKNSA-N 2 2 325.456 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000730096835 576714461 /nfs/dbraw/zinc/71/44/61/576714461.db2.gz ZCRRSKYJGPCNCY-RBUKOAKNSA-N 2 2 325.456 2.037 20 30 EEEDLP NC(=[NH+]OC/C(Cl)=C\Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000763180806 577716208 /nfs/dbraw/zinc/71/62/08/577716208.db2.gz VVSHIJOBHRMZIE-NTEUORMPSA-N 2 2 344.242 2.475 20 30 EEEDLP CCO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000747838754 577951215 /nfs/dbraw/zinc/95/12/15/577951215.db2.gz JGXLUPVYCBAPFI-LBPRGKRZSA-N 2 2 347.419 2.066 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000748815693 577967279 /nfs/dbraw/zinc/96/72/79/577967279.db2.gz DZMFNOPCSMIIIQ-UHFFFAOYSA-N 2 2 345.874 2.086 20 30 EEEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000969689898 675168020 /nfs/dbraw/zinc/16/80/20/675168020.db2.gz LVOSBGMDRADMSH-SOLBZPMBSA-N 2 2 342.487 2.167 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832312 675240156 /nfs/dbraw/zinc/24/01/56/675240156.db2.gz GJIWCGKIOWYXMU-HUUCEWRRSA-N 2 2 327.900 2.153 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969832312 675240159 /nfs/dbraw/zinc/24/01/59/675240159.db2.gz GJIWCGKIOWYXMU-HUUCEWRRSA-N 2 2 327.900 2.153 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635590 676290591 /nfs/dbraw/zinc/29/05/91/676290591.db2.gz KWMKKOFKRWIDIP-HZPDHXFCSA-N 2 2 336.867 2.257 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021636135 676291048 /nfs/dbraw/zinc/29/10/48/676291048.db2.gz OAOFTLZPOUJPIH-DLBZAZTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021636135 676291051 /nfs/dbraw/zinc/29/10/51/676291051.db2.gz OAOFTLZPOUJPIH-DLBZAZTESA-N 2 2 330.476 2.242 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001025246778 682315534 /nfs/dbraw/zinc/31/55/34/682315534.db2.gz ZGYDWSWLIJZADR-ROUUACIJSA-N 2 2 346.475 2.381 20 30 EEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@@H]1CCCS1 ZINC000262000303 682773381 /nfs/dbraw/zinc/77/33/81/682773381.db2.gz UDVVGMIBNYWGOE-HNNXBMFYSA-N 2 2 344.488 2.136 20 30 EEEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 ZINC000990814803 693908624 /nfs/dbraw/zinc/90/86/24/693908624.db2.gz JGERTMHKRKXYTG-LPHOPBHVSA-N 2 2 328.460 2.061 20 30 EEEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@H]12 ZINC000990814803 693908626 /nfs/dbraw/zinc/90/86/26/693908626.db2.gz JGERTMHKRKXYTG-LPHOPBHVSA-N 2 2 328.460 2.061 20 30 EEEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985510637 687075188 /nfs/dbraw/zinc/07/51/88/687075188.db2.gz WOHZLTUGRJLQRB-AWEZNQCLSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985510637 687075189 /nfs/dbraw/zinc/07/51/89/687075189.db2.gz WOHZLTUGRJLQRB-AWEZNQCLSA-N 2 2 336.867 2.121 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC000987188245 689459460 /nfs/dbraw/zinc/45/94/60/689459460.db2.gz YPORORFSNXDFEU-RDJZCZTQSA-N 2 2 326.444 2.340 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989673443 692158820 /nfs/dbraw/zinc/15/88/20/692158820.db2.gz WCRQURQSHGXDDA-KGLIPLIRSA-N 2 2 345.834 2.212 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000978537968 693676355 /nfs/dbraw/zinc/67/63/55/693676355.db2.gz WXXZAPBHJYHJCF-LDLYASANSA-N 2 2 336.439 2.356 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000978537968 693676358 /nfs/dbraw/zinc/67/63/58/693676358.db2.gz WXXZAPBHJYHJCF-LDLYASANSA-N 2 2 336.439 2.356 20 30 EEEDLP C=C(Cl)C[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001481191604 1180048561 /nfs/dbraw/zinc/04/85/61/1180048561.db2.gz HQWQJTVHMRWVJF-UHFFFAOYSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001481191604 1180048566 /nfs/dbraw/zinc/04/85/66/1180048566.db2.gz HQWQJTVHMRWVJF-UHFFFAOYSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001088420230 1186842994 /nfs/dbraw/zinc/84/29/94/1186842994.db2.gz LKKKEBLUVKIUEX-OAHLLOKOSA-N 2 2 338.883 2.466 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001088573897 1187413591 /nfs/dbraw/zinc/41/35/91/1187413591.db2.gz QGIDXVSRFPRFCV-TVFCKZIOSA-N 2 2 342.487 2.309 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001088573897 1187413594 /nfs/dbraw/zinc/41/35/94/1187413594.db2.gz QGIDXVSRFPRFCV-TVFCKZIOSA-N 2 2 342.487 2.309 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001014725158 1224241573 /nfs/dbraw/zinc/24/15/73/1224241573.db2.gz AGJFPPZSIVPEIW-ZWKOTPCHSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001014725158 1224241580 /nfs/dbraw/zinc/24/15/80/1224241580.db2.gz AGJFPPZSIVPEIW-ZWKOTPCHSA-N 2 2 349.438 2.023 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033881427 1195437652 /nfs/dbraw/zinc/43/76/52/1195437652.db2.gz RAWUPYCAKJMIIC-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033881427 1195437654 /nfs/dbraw/zinc/43/76/54/1195437654.db2.gz RAWUPYCAKJMIIC-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033881427 1195437657 /nfs/dbraw/zinc/43/76/57/1195437657.db2.gz RAWUPYCAKJMIIC-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033881427 1195437661 /nfs/dbraw/zinc/43/76/61/1195437661.db2.gz RAWUPYCAKJMIIC-HOTGVXAUSA-N 2 2 330.476 2.322 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2C#N)C1 ZINC001034136127 1195837626 /nfs/dbraw/zinc/83/76/26/1195837626.db2.gz HWTFMPDUYSLAIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2C#N)C1 ZINC001034136127 1195837630 /nfs/dbraw/zinc/83/76/30/1195837630.db2.gz HWTFMPDUYSLAIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC001034136127 1195837633 /nfs/dbraw/zinc/83/76/33/1195837633.db2.gz HWTFMPDUYSLAIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034136127 1195837637 /nfs/dbraw/zinc/83/76/37/1195837637.db2.gz HWTFMPDUYSLAIC-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(F)(F)F)C1 ZINC001034250413 1195983551 /nfs/dbraw/zinc/98/35/51/1195983551.db2.gz UJBSWXAZDYATER-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(F)(F)F)C1 ZINC001034250413 1195983556 /nfs/dbraw/zinc/98/35/56/1195983556.db2.gz UJBSWXAZDYATER-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(F)(F)F)C1 ZINC001034250413 1195983559 /nfs/dbraw/zinc/98/35/59/1195983559.db2.gz UJBSWXAZDYATER-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(F)(F)F)C1 ZINC001034250413 1195983561 /nfs/dbraw/zinc/98/35/61/1195983561.db2.gz UJBSWXAZDYATER-CABCVRRESA-N 2 2 345.409 2.007 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC001014771104 1224321712 /nfs/dbraw/zinc/32/17/12/1224321712.db2.gz VQBILDLBGCWZEP-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC001014771104 1224321723 /nfs/dbraw/zinc/32/17/23/1224321723.db2.gz VQBILDLBGCWZEP-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001014771104 1224321729 /nfs/dbraw/zinc/32/17/29/1224321729.db2.gz VQBILDLBGCWZEP-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001014771104 1224321734 /nfs/dbraw/zinc/32/17/34/1224321734.db2.gz VQBILDLBGCWZEP-UXHICEINSA-N 2 2 339.483 2.037 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234709 1199413436 /nfs/dbraw/zinc/41/34/36/1199413436.db2.gz JEFZSVONPBDMBQ-IRXDYDNUSA-N 2 2 338.455 2.267 20 30 EEEDLP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001133398259 1200839089 /nfs/dbraw/zinc/83/90/89/1200839089.db2.gz MZTUYQALPWLGNT-UHFFFAOYSA-N 2 2 344.846 2.247 20 30 EEEDLP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001133398259 1200839092 /nfs/dbraw/zinc/83/90/92/1200839092.db2.gz MZTUYQALPWLGNT-UHFFFAOYSA-N 2 2 344.846 2.247 20 30 EEEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@]1(C)CCCS1 ZINC000159293294 1208437080 /nfs/dbraw/zinc/43/70/80/1208437080.db2.gz MTVFUSXOCWNBBX-KRWDZBQOSA-N 2 2 335.521 2.213 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767146 1209361483 /nfs/dbraw/zinc/36/14/83/1209361483.db2.gz QZNVBDWKZRGHCD-CVEARBPZSA-N 2 2 328.460 2.166 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767146 1209361488 /nfs/dbraw/zinc/36/14/88/1209361488.db2.gz QZNVBDWKZRGHCD-CVEARBPZSA-N 2 2 328.460 2.166 20 30 EEEDLP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948932856 1209459875 /nfs/dbraw/zinc/45/98/75/1209459875.db2.gz OMIYCESIHNVNTF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000948932856 1209459876 /nfs/dbraw/zinc/45/98/76/1209459876.db2.gz OMIYCESIHNVNTF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000948932856 1209459877 /nfs/dbraw/zinc/45/98/77/1209459877.db2.gz OMIYCESIHNVNTF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP CC#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000948932856 1209459879 /nfs/dbraw/zinc/45/98/79/1209459879.db2.gz OMIYCESIHNVNTF-UXHICEINSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362871 1210767531 /nfs/dbraw/zinc/76/75/31/1210767531.db2.gz ZQXMHKGUYQALQW-LJQANCHMSA-N 2 2 331.504 2.340 20 30 EEEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362871 1210767532 /nfs/dbraw/zinc/76/75/32/1210767532.db2.gz ZQXMHKGUYQALQW-LJQANCHMSA-N 2 2 331.504 2.340 20 30 EEEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000951551591 1210878597 /nfs/dbraw/zinc/87/85/97/1210878597.db2.gz ZAVPKXOFSUZTBM-MRXNPFEDSA-N 2 2 330.476 2.253 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961417184 1217181850 /nfs/dbraw/zinc/18/18/50/1217181850.db2.gz XEYLWIGTVJZMDJ-IEBWSBKVSA-N 2 2 342.487 2.418 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961417184 1217181853 /nfs/dbraw/zinc/18/18/53/1217181853.db2.gz XEYLWIGTVJZMDJ-IEBWSBKVSA-N 2 2 342.487 2.418 20 30 EEEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000964030693 1218208756 /nfs/dbraw/zinc/20/87/56/1218208756.db2.gz VCKQCKFDUHVUNY-UHFFFAOYSA-N 2 2 329.444 2.226 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967084409 1220260138 /nfs/dbraw/zinc/26/01/38/1220260138.db2.gz IEIUXUVWRIOYCF-WMLDXEAASA-N 2 2 334.464 2.143 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967084409 1220260141 /nfs/dbraw/zinc/26/01/41/1220260141.db2.gz IEIUXUVWRIOYCF-WMLDXEAASA-N 2 2 334.464 2.143 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009180956 1223167677 /nfs/dbraw/zinc/16/76/77/1223167677.db2.gz JGSUGKZGUZLNNZ-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009180956 1223167680 /nfs/dbraw/zinc/16/76/80/1223167680.db2.gz JGSUGKZGUZLNNZ-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001039051258 1230264741 /nfs/dbraw/zinc/26/47/41/1230264741.db2.gz UVWHBANQPBEEJZ-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001039051258 1230264742 /nfs/dbraw/zinc/26/47/42/1230264742.db2.gz UVWHBANQPBEEJZ-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039051258 1230264747 /nfs/dbraw/zinc/26/47/47/1230264747.db2.gz UVWHBANQPBEEJZ-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039051258 1230264752 /nfs/dbraw/zinc/26/47/52/1230264752.db2.gz UVWHBANQPBEEJZ-RBUKOAKNSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039205235 1230431548 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ZINC001235475952 1305246323 /nfs/dbraw/zinc/24/63/23/1305246323.db2.gz VYHUCOYOQFBCOJ-UHFFFAOYSA-N 2 2 344.503 2.190 20 30 EEEDLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246301520 1310276958 /nfs/dbraw/zinc/27/69/58/1310276958.db2.gz YUMHHSSZOCLUCJ-CSODTCANSA-N 2 2 341.455 2.325 20 30 EEEDLP C[NH+](C)CCCN1CC[NH+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429941 1317084792 /nfs/dbraw/zinc/08/47/92/1317084792.db2.gz WQCLYRCTXNEODQ-UHFFFAOYSA-N 2 2 325.460 2.109 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)c1 ZINC001250992337 1317395102 /nfs/dbraw/zinc/39/51/02/1317395102.db2.gz FLXCGNROSPOTTA-HNNXBMFYSA-N 2 2 327.350 2.035 20 30 EEEDLP N#CC1CCC([NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001256960334 1318905611 /nfs/dbraw/zinc/90/56/11/1318905611.db2.gz SNJGZAURLVOQSH-UHFFFAOYSA-N 2 2 340.471 2.178 20 30 EEEDLP C[Si](C)(C)C#Cc1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158266747 1319125726 /nfs/dbraw/zinc/12/57/26/1319125726.db2.gz MSNPVFBLOKWSRJ-QGZVFWFLSA-N 2 2 342.563 2.312 20 30 EEEDLP C[Si](C)(C)C#Cc1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158266747 1319125729 /nfs/dbraw/zinc/12/57/29/1319125729.db2.gz MSNPVFBLOKWSRJ-QGZVFWFLSA-N 2 2 342.563 2.312 20 30 EEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC001203871106 1321979310 /nfs/dbraw/zinc/97/93/10/1321979310.db2.gz OYVOWGKJFAEJCY-UHFFFAOYSA-N 2 2 345.487 2.192 20 30 EEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206955620 1323741449 /nfs/dbraw/zinc/74/14/49/1323741449.db2.gz AMLIGXSSHKNOGZ-LJQANCHMSA-N 2 2 344.503 2.479 20 30 EEEDLP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207481300 1323989498 /nfs/dbraw/zinc/98/94/98/1323989498.db2.gz ASSOTOBQLXHQKI-GOSISDBHSA-N 2 2 347.507 2.132 20 30 EEEDLP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207481300 1323989500 /nfs/dbraw/zinc/98/95/00/1323989500.db2.gz ASSOTOBQLXHQKI-GOSISDBHSA-N 2 2 347.507 2.132 20 30 EEEDLP Cn1cc(C[NH+]2CC3(CN(c4ccccc4C[NH+](C)C)C3)C2)cc1C#N ZINC001279761884 1323992392 /nfs/dbraw/zinc/99/23/92/1323992392.db2.gz AXTYEWCSLMCWGW-UHFFFAOYSA-N 2 2 349.482 2.281 20 30 EEEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc(C#N)cc1 ZINC001339061483 1336952044 /nfs/dbraw/zinc/95/20/44/1336952044.db2.gz CWFHRPMQUREACK-UHFFFAOYSA-N 2 2 333.351 2.465 20 30 EEEDLP C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135133036 1368051233 /nfs/dbraw/zinc/05/12/33/1368051233.db2.gz WIDHWIQTNHSXTO-STQMWFEESA-N 2 2 343.269 2.055 20 30 EEEDLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001135131947 1368052587 /nfs/dbraw/zinc/05/25/87/1368052587.db2.gz NESPOAPTMUOWOL-HZPDHXFCSA-N 2 2 339.443 2.218 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=C)Cl)C2)CC1 ZINC001072098565 1370606958 /nfs/dbraw/zinc/60/69/58/1370606958.db2.gz CANNWJYQQZBINJ-RDJZCZTQSA-N 2 2 337.895 2.053 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)Cl)C2)CC1 ZINC001072098565 1370606964 /nfs/dbraw/zinc/60/69/64/1370606964.db2.gz CANNWJYQQZBINJ-RDJZCZTQSA-N 2 2 337.895 2.053 20 30 EEEDLP C#C[C@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763390 1372525571 /nfs/dbraw/zinc/52/55/71/1372525571.db2.gz LKSLGVCGRBZGSS-SFHVURJKSA-N 2 2 328.456 2.243 20 30 EEEDLP C#C[C@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763390 1372525575 /nfs/dbraw/zinc/52/55/75/1372525575.db2.gz LKSLGVCGRBZGSS-SFHVURJKSA-N 2 2 328.456 2.243 20 30 EEEDLP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001378198373 1379778217 /nfs/dbraw/zinc/77/82/17/1379778217.db2.gz ZOXFSXSDSDFHGU-KBPBESRZSA-N 2 2 346.313 2.014 20 30 EEEDLP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001378198373 1379778220 /nfs/dbraw/zinc/77/82/20/1379778220.db2.gz ZOXFSXSDSDFHGU-KBPBESRZSA-N 2 2 346.313 2.014 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001087290833 761489988 /nfs/dbraw/zinc/48/99/88/761489988.db2.gz JQNIEPNIXRYINU-AYOQOUSVSA-N 2 2 343.471 2.424 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001087290833 761489991 /nfs/dbraw/zinc/48/99/91/761489991.db2.gz JQNIEPNIXRYINU-AYOQOUSVSA-N 2 2 343.471 2.424 20 30 EEEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089422717 768981461 /nfs/dbraw/zinc/98/14/61/768981461.db2.gz BZJHQKVTXUOHQV-HOTGVXAUSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089422717 768981466 /nfs/dbraw/zinc/98/14/66/768981466.db2.gz BZJHQKVTXUOHQV-HOTGVXAUSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089422717 768981471 /nfs/dbraw/zinc/98/14/71/768981471.db2.gz BZJHQKVTXUOHQV-HOTGVXAUSA-N 2 2 342.487 2.063 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089422717 768981477 /nfs/dbraw/zinc/98/14/77/768981477.db2.gz BZJHQKVTXUOHQV-HOTGVXAUSA-N 2 2 342.487 2.063 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089541525 770179307 /nfs/dbraw/zinc/17/93/07/770179307.db2.gz LFPOBTYLBMXERK-AWEZNQCLSA-N 2 2 338.883 2.322 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089541525 770179313 /nfs/dbraw/zinc/17/93/13/770179313.db2.gz LFPOBTYLBMXERK-AWEZNQCLSA-N 2 2 338.883 2.322 20 30 EEEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC000980230215 774152711 /nfs/dbraw/zinc/15/27/11/774152711.db2.gz PWRXEMABRBSCGQ-FHWLQOOXSA-N 2 2 348.450 2.336 20 30 EEEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC000980230215 774152712 /nfs/dbraw/zinc/15/27/12/774152712.db2.gz PWRXEMABRBSCGQ-FHWLQOOXSA-N 2 2 348.450 2.336 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687313 774308637 /nfs/dbraw/zinc/30/86/37/774308637.db2.gz IPIJLWHOGLGDSF-MRXNPFEDSA-N 2 2 331.460 2.195 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687313 774308645 /nfs/dbraw/zinc/30/86/45/774308645.db2.gz IPIJLWHOGLGDSF-MRXNPFEDSA-N 2 2 331.460 2.195 20 30 EEEDLP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000980464545 774664377 /nfs/dbraw/zinc/66/43/77/774664377.db2.gz COBMUGSENHIDBP-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980464545 774664367 /nfs/dbraw/zinc/66/43/67/774664367.db2.gz COBMUGSENHIDBP-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980464545 774664370 /nfs/dbraw/zinc/66/43/70/774664370.db2.gz COBMUGSENHIDBP-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000980464545 774664373 /nfs/dbraw/zinc/66/43/73/774664373.db2.gz COBMUGSENHIDBP-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001089839005 777493674 /nfs/dbraw/zinc/49/36/74/777493674.db2.gz OCYZPYOCYTWLPX-XSLAGTTESA-N 2 2 342.487 2.098 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001089839005 777493680 /nfs/dbraw/zinc/49/36/80/777493680.db2.gz OCYZPYOCYTWLPX-XSLAGTTESA-N 2 2 342.487 2.098 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH+]ccn1C ZINC001089839625 777533566 /nfs/dbraw/zinc/53/35/66/777533566.db2.gz VYBXPAOHGRNENA-MLHJIOFPSA-N 2 2 342.487 2.098 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH+]ccn1C ZINC001089839625 777533573 /nfs/dbraw/zinc/53/35/73/777533573.db2.gz VYBXPAOHGRNENA-MLHJIOFPSA-N 2 2 342.487 2.098 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338526 783558789 /nfs/dbraw/zinc/55/87/89/783558789.db2.gz IAIDPDFKPQRLPT-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338526 783558798 /nfs/dbraw/zinc/55/87/98/783558798.db2.gz IAIDPDFKPQRLPT-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196258 784027069 /nfs/dbraw/zinc/02/70/69/784027069.db2.gz ZWRLVCVPVZUOAL-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196258 784027076 /nfs/dbraw/zinc/02/70/76/784027076.db2.gz ZWRLVCVPVZUOAL-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196258 784027083 /nfs/dbraw/zinc/02/70/83/784027083.db2.gz ZWRLVCVPVZUOAL-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196258 784027087 /nfs/dbraw/zinc/02/70/87/784027087.db2.gz ZWRLVCVPVZUOAL-HZPDHXFCSA-N 2 2 328.460 2.404 20 30 EEEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC001035199020 784036665 /nfs/dbraw/zinc/03/66/65/784036665.db2.gz 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C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170893573 785228633 /nfs/dbraw/zinc/22/86/33/785228633.db2.gz FDNFIVBETNXCHF-PBHICJAKSA-N 2 2 333.480 2.241 20 30 EEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170893573 785228637 /nfs/dbraw/zinc/22/86/37/785228637.db2.gz FDNFIVBETNXCHF-PBHICJAKSA-N 2 2 333.480 2.241 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954365 789804519 /nfs/dbraw/zinc/80/45/19/789804519.db2.gz PDWGNFHDTOPKEW-LPHOPBHVSA-N 2 2 348.491 2.180 20 30 EEEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954365 789804523 /nfs/dbraw/zinc/80/45/23/789804523.db2.gz PDWGNFHDTOPKEW-LPHOPBHVSA-N 2 2 348.491 2.180 20 30 EEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001171192547 789860167 /nfs/dbraw/zinc/86/01/67/789860167.db2.gz OGPBHZOFCKFLNO-NDXORKPFSA-N 2 2 334.467 2.291 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 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CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000155251292 462866148 /nfs/dbraw/zinc/86/61/48/462866148.db2.gz PYLVDQHITGVROF-ZIFCJYIRSA-N 2 2 342.487 2.247 20 30 EEEDLP CC[NH+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000155251292 462866153 /nfs/dbraw/zinc/86/61/53/462866153.db2.gz PYLVDQHITGVROF-ZIFCJYIRSA-N 2 2 342.487 2.247 20 30 EEEDLP CC[NH+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000155251292 462866159 /nfs/dbraw/zinc/86/61/59/462866159.db2.gz PYLVDQHITGVROF-ZIFCJYIRSA-N 2 2 342.487 2.247 20 30 EEEDLP CCc1cnc(CNC(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)s1 ZINC000262399435 464018767 /nfs/dbraw/zinc/01/87/67/464018767.db2.gz NMLBGGCBGVNJQW-UHFFFAOYSA-N 2 2 332.477 2.104 20 30 EEEDLP C#CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000270353450 464252488 /nfs/dbraw/zinc/25/24/88/464252488.db2.gz QAGGZUBPBXPAEU-IBGZPJMESA-N 2 2 342.487 2.076 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(C#N)c1 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MFQZALPZPRHZBQ-QAPCUYQASA-N 2 2 342.487 2.370 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001017671241 1227621749 /nfs/dbraw/zinc/62/17/49/1227621749.db2.gz OZNUXTLMBWRYFO-YESZJQIVSA-N 2 2 328.460 2.087 20 30 EEEDLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048667 1230263240 /nfs/dbraw/zinc/26/32/40/1230263240.db2.gz IZMZGDGFNLHDFE-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001039048667 1230263242 /nfs/dbraw/zinc/26/32/42/1230263242.db2.gz IZMZGDGFNLHDFE-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039048667 1230263246 /nfs/dbraw/zinc/26/32/46/1230263246.db2.gz IZMZGDGFNLHDFE-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039048667 1230263249 /nfs/dbraw/zinc/26/32/49/1230263249.db2.gz IZMZGDGFNLHDFE-MOPGFXCFSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001039291042 1230512295 /nfs/dbraw/zinc/51/22/95/1230512295.db2.gz VFIFPTQSGXCKHY-ALOPSCKCSA-N 2 2 330.476 2.431 20 30 EEEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041696918 1231651869 /nfs/dbraw/zinc/65/18/69/1231651869.db2.gz ZFIGDBPCFJNOLM-GPMSIDNRSA-N 2 2 328.460 2.024 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041696918 1231651872 /nfs/dbraw/zinc/65/18/72/1231651872.db2.gz ZFIGDBPCFJNOLM-GPMSIDNRSA-N 2 2 328.460 2.024 20 30 EEEDLP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042297457 1232011885 /nfs/dbraw/zinc/01/18/85/1232011885.db2.gz PDWGWLSHGWRVCE-FXAWDEMLSA-N 2 2 348.450 2.432 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042297457 1232011888 /nfs/dbraw/zinc/01/18/88/1232011888.db2.gz PDWGWLSHGWRVCE-FXAWDEMLSA-N 2 2 348.450 2.432 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001046330654 1234675003 /nfs/dbraw/zinc/67/50/03/1234675003.db2.gz PEGPVEIFNSOFAC-MJGOQNOKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001046330654 1234675005 /nfs/dbraw/zinc/67/50/05/1234675005.db2.gz PEGPVEIFNSOFAC-MJGOQNOKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046330654 1234675009 /nfs/dbraw/zinc/67/50/09/1234675009.db2.gz PEGPVEIFNSOFAC-MJGOQNOKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046330654 1234675011 /nfs/dbraw/zinc/67/50/11/1234675011.db2.gz PEGPVEIFNSOFAC-MJGOQNOKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470120 1234839207 /nfs/dbraw/zinc/83/92/07/1234839207.db2.gz GCZMHGJPFTWXTM-QGZVFWFLSA-N 2 2 345.834 2.214 20 30 EEEDLP 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C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267326 1247942146 /nfs/dbraw/zinc/94/21/46/1247942146.db2.gz NLWMJNRADAIZLE-IBGZPJMESA-N 2 2 325.456 2.126 20 30 EEEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267326 1247942153 /nfs/dbraw/zinc/94/21/53/1247942153.db2.gz NLWMJNRADAIZLE-IBGZPJMESA-N 2 2 325.456 2.126 20 30 EEEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001074242036 1256802284 /nfs/dbraw/zinc/80/22/84/1256802284.db2.gz RSTWOUNEDJWHSG-QZTJIDSGSA-N 2 2 349.519 2.129 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001074242036 1256802290 /nfs/dbraw/zinc/80/22/90/1256802290.db2.gz RSTWOUNEDJWHSG-QZTJIDSGSA-N 2 2 349.519 2.129 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001098836218 1257845221 /nfs/dbraw/zinc/84/52/21/1257845221.db2.gz ZCKQYKZCKKMJTD-PXNSSMCTSA-N 2 2 336.439 2.250 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001098836218 1257845231 /nfs/dbraw/zinc/84/52/31/1257845231.db2.gz ZCKQYKZCKKMJTD-PXNSSMCTSA-N 2 2 336.439 2.250 20 30 EEEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCCO1 ZINC001200954422 1287232019 /nfs/dbraw/zinc/23/20/19/1287232019.db2.gz AWANRRUNDWBHTN-INIZCTEOSA-N 2 2 342.443 2.121 20 30 EEEDLP CCC[N@H+](C)CCC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001197908349 1284902301 /nfs/dbraw/zinc/90/23/01/1284902301.db2.gz YACWALVXOCQALS-UHFFFAOYSA-N 2 2 342.487 2.324 20 30 EEEDLP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2ccccc2C#N)CC1 ZINC001197908349 1284902310 /nfs/dbraw/zinc/90/23/10/1284902310.db2.gz YACWALVXOCQALS-UHFFFAOYSA-N 2 2 342.487 2.324 20 30 EEEDLP CCC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197908349 1284902312 /nfs/dbraw/zinc/90/23/12/1284902312.db2.gz YACWALVXOCQALS-UHFFFAOYSA-N 2 2 342.487 2.324 20 30 EEEDLP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197908349 1284902313 /nfs/dbraw/zinc/90/23/13/1284902313.db2.gz YACWALVXOCQALS-UHFFFAOYSA-N 2 2 342.487 2.324 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001099140168 1298923016 /nfs/dbraw/zinc/92/30/16/1298923016.db2.gz QYGBYWSYJYPMPR-MRXNPFEDSA-N 2 2 342.487 2.002 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001099140168 1298923020 /nfs/dbraw/zinc/92/30/20/1298923020.db2.gz QYGBYWSYJYPMPR-MRXNPFEDSA-N 2 2 342.487 2.002 20 30 EEEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121271725 1309964568 /nfs/dbraw/zinc/96/45/68/1309964568.db2.gz MFSUKQJYNCDVDM-APUKJBRXSA-N 2 2 328.460 2.121 20 30 EEEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001121319440 1309981026 /nfs/dbraw/zinc/98/10/26/1309981026.db2.gz ZTYLXIXEIJAOJU-XYLATYTLSA-N 2 2 328.460 2.039 20 30 EEEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153477370 1316834085 /nfs/dbraw/zinc/83/40/85/1316834085.db2.gz KKGDRTLNOJZOOF-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153477370 1316834087 /nfs/dbraw/zinc/83/40/87/1316834087.db2.gz KKGDRTLNOJZOOF-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001153477370 1316834089 /nfs/dbraw/zinc/83/40/89/1316834089.db2.gz KKGDRTLNOJZOOF-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001153477370 1316834091 /nfs/dbraw/zinc/83/40/91/1316834091.db2.gz KKGDRTLNOJZOOF-PBHICJAKSA-N 2 2 333.480 2.193 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001255151338 1318304852 /nfs/dbraw/zinc/30/48/52/1318304852.db2.gz AIWFYDJYPRNCOU-PMPSAXMXSA-N 2 2 336.480 2.209 20 30 EEEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001255151338 1318304864 /nfs/dbraw/zinc/30/48/64/1318304864.db2.gz AIWFYDJYPRNCOU-PMPSAXMXSA-N 2 2 336.480 2.209 20 30 EEEDLP CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108952 1318411900 /nfs/dbraw/zinc/41/19/00/1318411900.db2.gz FDEUXNUDPAONEG-OAHLLOKOSA-N 2 2 348.466 2.364 20 30 EEEDLP CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108952 1318411909 /nfs/dbraw/zinc/41/19/09/1318411909.db2.gz FDEUXNUDPAONEG-OAHLLOKOSA-N 2 2 348.466 2.364 20 30 EEEDLP CC[NH+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157108952 1318411918 /nfs/dbraw/zinc/41/19/18/1318411918.db2.gz FDEUXNUDPAONEG-OAHLLOKOSA-N 2 2 348.466 2.364 20 30 EEEDLP CC[NH+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157108952 1318411929 /nfs/dbraw/zinc/41/19/29/1318411929.db2.gz FDEUXNUDPAONEG-OAHLLOKOSA-N 2 2 348.466 2.364 20 30 EEEDLP C[NH+]1CCN(c2cccc(NCc3ccc(C#N)c(F)c3)[nH+]2)CC1 ZINC001159084694 1319599758 /nfs/dbraw/zinc/59/97/58/1319599758.db2.gz RQYHZLIXSVBOAZ-UHFFFAOYSA-N 2 2 325.391 2.456 20 30 EEEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001162952393 1320995451 /nfs/dbraw/zinc/99/54/51/1320995451.db2.gz OBQIYOZRYUUNEK-GOSISDBHSA-N 2 2 338.455 2.128 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001166808751 1321790816 /nfs/dbraw/zinc/79/08/16/1321790816.db2.gz BEDVPRKKNYLRER-GOSISDBHSA-N 2 2 349.519 2.082 20 30 EEEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001166808751 1321790818 /nfs/dbraw/zinc/79/08/18/1321790818.db2.gz BEDVPRKKNYLRER-GOSISDBHSA-N 2 2 349.519 2.082 20 30 EEEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556268 1323192381 /nfs/dbraw/zinc/19/23/81/1323192381.db2.gz OMEBFJMAVWJCSR-QGZVFWFLSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCc1cccc(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)c1O ZINC001276685317 1325307237 /nfs/dbraw/zinc/30/72/37/1325307237.db2.gz YDHMSQAHOXGRBQ-UHFFFAOYSA-N 2 2 338.455 2.278 20 30 EEEDLP N#Cc1cccc(NC(=O)CC[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC001325839853 1333972620 /nfs/dbraw/zinc/97/26/20/1333972620.db2.gz IEPFWHKKHKKOIO-UHFFFAOYSA-N 2 2 337.427 2.252 20 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ZINC001647561613 1353326902 /nfs/dbraw/zinc/32/69/02/1353326902.db2.gz VZMATRPDXNWUOA-HXUWFJFHSA-N 2 2 336.439 2.241 20 30 EEEDLP C#CCCC[NH+]1CCC2(CCC(=O)N(Cc3c[nH+]cn3C)C2)CC1 ZINC001273542264 1368247535 /nfs/dbraw/zinc/24/75/35/1368247535.db2.gz IWSSGJLBOWQAOV-UHFFFAOYSA-N 2 2 328.460 2.038 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071920924 1370579436 /nfs/dbraw/zinc/57/94/36/1370579436.db2.gz ZBSSQKNCJGRJRS-HOTGVXAUSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071920924 1370579440 /nfs/dbraw/zinc/57/94/40/1370579440.db2.gz ZBSSQKNCJGRJRS-HOTGVXAUSA-N 2 2 327.900 2.440 20 30 EEEDLP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001376065392 1378273171 /nfs/dbraw/zinc/27/31/71/1378273171.db2.gz AYOYHJJICKLFAB-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001376065392 1378273178 /nfs/dbraw/zinc/27/31/78/1378273178.db2.gz AYOYHJJICKLFAB-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001376065392 1378273187 /nfs/dbraw/zinc/27/31/87/1378273187.db2.gz AYOYHJJICKLFAB-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001376065392 1378273192 /nfs/dbraw/zinc/27/31/92/1378273192.db2.gz AYOYHJJICKLFAB-QGZVFWFLSA-N 2 2 346.450 2.120 20 30 EEEDLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001382164457 1382019538 /nfs/dbraw/zinc/01/95/38/1382019538.db2.gz OLGBRZCFPQNVTA-MRXNPFEDSA-N 2 2 339.443 2.172 20 30 EEEDLP C#CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CC[NH+](CC)CC1 ZINC001754638563 1406937055 /nfs/dbraw/zinc/93/70/55/1406937055.db2.gz CKWDKTMQMJCEPE-SFHVURJKSA-N 2 2 330.476 2.416 20 30 EEEDLP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001755442358 1407455521 /nfs/dbraw/zinc/45/55/21/1407455521.db2.gz QPLNAUGEKPRLNA-DOTOQJQBSA-N 2 2 342.443 2.038 20 30 EEEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755677846 1407725295 /nfs/dbraw/zinc/72/52/95/1407725295.db2.gz CHBFYEPMLXYFNK-YOEHRIQHSA-N 2 2 342.443 2.038 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458764 760849907 /nfs/dbraw/zinc/84/99/07/760849907.db2.gz PFIOAVOYDSPCNN-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458764 760849920 /nfs/dbraw/zinc/84/99/20/760849920.db2.gz PFIOAVOYDSPCNN-QGZVFWFLSA-N 2 2 342.487 2.316 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315569 761603156 /nfs/dbraw/zinc/60/31/56/761603156.db2.gz DZLZNAAYRGHVSO-JLSDUUJJSA-N 2 2 330.476 2.442 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315569 761603161 /nfs/dbraw/zinc/60/31/61/761603161.db2.gz DZLZNAAYRGHVSO-JLSDUUJJSA-N 2 2 330.476 2.442 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088019040 782776713 /nfs/dbraw/zinc/77/67/13/782776713.db2.gz UMTNPPSMRVMWBT-KSZLIROESA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088019040 782776717 /nfs/dbraw/zinc/77/67/17/782776717.db2.gz UMTNPPSMRVMWBT-KSZLIROESA-N 2 2 342.487 2.192 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC000979975528 773651034 /nfs/dbraw/zinc/65/10/34/773651034.db2.gz BHGZKLOGJZANLV-BHYGNILZSA-N 2 2 329.444 2.035 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC000979975528 773651038 /nfs/dbraw/zinc/65/10/38/773651038.db2.gz BHGZKLOGJZANLV-BHYGNILZSA-N 2 2 329.444 2.035 20 30 EEEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997643195 790518596 /nfs/dbraw/zinc/51/85/96/790518596.db2.gz AGDGRRSQUJXFNL-RDJZCZTQSA-N 2 2 330.476 2.238 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000981352134 777234772 /nfs/dbraw/zinc/23/47/72/777234772.db2.gz AKBQESOXTOPWCC-STQMWFEESA-N 2 2 343.456 2.103 20 30 EEEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC000981458031 777446656 /nfs/dbraw/zinc/44/66/56/777446656.db2.gz VCMMRBWJNKSNBS-HXUWFJFHSA-N 2 2 339.483 2.057 20 30 EEEDLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC#Cc2ccccc2)CC1 ZINC000981458031 777446661 /nfs/dbraw/zinc/44/66/61/777446661.db2.gz VCMMRBWJNKSNBS-HXUWFJFHSA-N 2 2 339.483 2.057 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981458031 777446666 /nfs/dbraw/zinc/44/66/66/777446666.db2.gz VCMMRBWJNKSNBS-HXUWFJFHSA-N 2 2 339.483 2.057 20 30 EEEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981458031 777446669 /nfs/dbraw/zinc/44/66/69/777446669.db2.gz VCMMRBWJNKSNBS-HXUWFJFHSA-N 2 2 339.483 2.057 20 30 EEEDLP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223078 784103493 /nfs/dbraw/zinc/10/34/93/784103493.db2.gz KRELXZHTCAITFU-MRXNPFEDSA-N 2 2 340.471 2.167 20 30 EEEDLP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223078 784103494 /nfs/dbraw/zinc/10/34/94/784103494.db2.gz KRELXZHTCAITFU-MRXNPFEDSA-N 2 2 340.471 2.167 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992241169 793382419 /nfs/dbraw/zinc/38/24/19/793382419.db2.gz PCKNZHLPRDTXLM-IIHSZXCVSA-N 2 2 328.460 2.213 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992241169 793382427 /nfs/dbraw/zinc/38/24/27/793382427.db2.gz PCKNZHLPRDTXLM-IIHSZXCVSA-N 2 2 328.460 2.213 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080192116 795695121 /nfs/dbraw/zinc/69/51/21/795695121.db2.gz GFZWPPKHWPZJEK-WQVCFCJDSA-N 2 2 325.884 2.050 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080192116 795695124 /nfs/dbraw/zinc/69/51/24/795695124.db2.gz GFZWPPKHWPZJEK-WQVCFCJDSA-N 2 2 325.884 2.050 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904390 796446687 /nfs/dbraw/zinc/44/66/87/796446687.db2.gz RDOUOSWRVNTUPW-WBVHZDCISA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904390 796446692 /nfs/dbraw/zinc/44/66/92/796446692.db2.gz RDOUOSWRVNTUPW-WBVHZDCISA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904390 796446695 /nfs/dbraw/zinc/44/66/95/796446695.db2.gz RDOUOSWRVNTUPW-WBVHZDCISA-N 2 2 345.512 2.215 20 30 EEEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)CC[C@@H]21 ZINC001036904390 796446702 /nfs/dbraw/zinc/44/67/02/796446702.db2.gz RDOUOSWRVNTUPW-WBVHZDCISA-N 2 2 345.512 2.215 20 30 EEEDLP CCN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC001172023392 796849041 /nfs/dbraw/zinc/84/90/41/796849041.db2.gz NVVJWFQXRLXKPV-LJQANCHMSA-N 2 2 340.471 2.123 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820335 797025774 /nfs/dbraw/zinc/02/57/74/797025774.db2.gz WOMJPXQECFDSTI-IAGOWNOFSA-N 2 2 345.512 2.309 20 30 EEEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C12CCC2 ZINC001078820335 797025781 /nfs/dbraw/zinc/02/57/81/797025781.db2.gz WOMJPXQECFDSTI-IAGOWNOFSA-N 2 2 345.512 2.309 20 30 EEEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001756792 797174977 /nfs/dbraw/zinc/17/49/77/797174977.db2.gz JIMZRGLGVRAGNN-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001756792 797174983 /nfs/dbraw/zinc/17/49/83/797174983.db2.gz JIMZRGLGVRAGNN-IBGZPJMESA-N 2 2 349.519 2.034 20 30 EEEDLP C#CCC[NH+]1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001001998962 797445856 /nfs/dbraw/zinc/44/58/56/797445856.db2.gz ANARVMIVTBHQIP-UHFFFAOYSA-N 2 2 336.439 2.337 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032827231 798455805 /nfs/dbraw/zinc/45/58/05/798455805.db2.gz XQZSXFJJIUEWKR-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032827231 798455808 /nfs/dbraw/zinc/45/58/08/798455808.db2.gz XQZSXFJJIUEWKR-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032827231 798455811 /nfs/dbraw/zinc/45/58/11/798455811.db2.gz XQZSXFJJIUEWKR-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001032827231 798455814 /nfs/dbraw/zinc/45/58/14/798455814.db2.gz XQZSXFJJIUEWKR-MNEFBYGVSA-N 2 2 343.446 2.175 20 30 EEEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001178727430 799583640 /nfs/dbraw/zinc/58/36/40/799583640.db2.gz SIIYCNAWMISNIG-IEBWSBKVSA-N 2 2 327.472 2.085 20 30 EEEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001178727430 799583642 /nfs/dbraw/zinc/58/36/42/799583642.db2.gz SIIYCNAWMISNIG-IEBWSBKVSA-N 2 2 327.472 2.085 20 30 EEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001179134933 799794221 /nfs/dbraw/zinc/79/42/21/799794221.db2.gz XLFYEVHPNIGPKT-GOSISDBHSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001179134933 799794224 /nfs/dbraw/zinc/79/42/24/799794224.db2.gz XLFYEVHPNIGPKT-GOSISDBHSA-N 2 2 339.524 2.330 20 30 EEEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001183164821 801511053 /nfs/dbraw/zinc/51/10/53/801511053.db2.gz ALJJLHADHVLJRL-JTDSTZFVSA-N 2 2 332.492 2.392 20 30 EEEDLP CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829998 801761055 /nfs/dbraw/zinc/76/10/55/801761055.db2.gz SZJSWTZSXNXTJO-IBGZPJMESA-N 2 2 342.487 2.371 20 30 EEEDLP CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829998 801761062 /nfs/dbraw/zinc/76/10/62/801761062.db2.gz SZJSWTZSXNXTJO-IBGZPJMESA-N 2 2 342.487 2.371 20 30 EEEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]2C1 ZINC000946598106 801788748 /nfs/dbraw/zinc/78/87/48/801788748.db2.gz XUBSQDWYUPXWOD-CALCHBBNSA-N 2 2 342.487 2.118 20 30 EEEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]2C1 ZINC000946598106 801788753 /nfs/dbraw/zinc/78/87/53/801788753.db2.gz XUBSQDWYUPXWOD-CALCHBBNSA-N 2 2 342.487 2.118 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184650937 802116313 /nfs/dbraw/zinc/11/63/13/802116313.db2.gz BFZZGMVJDTXOOC-JKSUJKDBSA-N 2 2 331.460 2.283 20 30 EEEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184851094 802199541 /nfs/dbraw/zinc/19/95/41/802199541.db2.gz JMZFWLUCZYAUPX-DLBZAZTESA-N 2 2 332.492 2.393 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001108250116 802445076 /nfs/dbraw/zinc/44/50/76/802445076.db2.gz OYKLAJAVLNPKMZ-WMZOPIPTSA-N 2 2 334.464 2.008 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001108250116 802445082 /nfs/dbraw/zinc/44/50/82/802445082.db2.gz OYKLAJAVLNPKMZ-WMZOPIPTSA-N 2 2 334.464 2.008 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609089 802476488 /nfs/dbraw/zinc/47/64/88/802476488.db2.gz FEHLSGLIZOMYQB-LJQANCHMSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609089 802476493 /nfs/dbraw/zinc/47/64/93/802476493.db2.gz FEHLSGLIZOMYQB-LJQANCHMSA-N 2 2 342.487 2.079 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001109414761 805436118 /nfs/dbraw/zinc/43/61/18/805436118.db2.gz JVUUIOXIERMZCJ-XWSJACJDSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109414761 805436122 /nfs/dbraw/zinc/43/61/22/805436122.db2.gz JVUUIOXIERMZCJ-XWSJACJDSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001109414761 805436125 /nfs/dbraw/zinc/43/61/25/805436125.db2.gz JVUUIOXIERMZCJ-XWSJACJDSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001109414761 805436128 /nfs/dbraw/zinc/43/61/28/805436128.db2.gz JVUUIOXIERMZCJ-XWSJACJDSA-N 2 2 331.504 2.242 20 30 EEEDLP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001439402202 1092159731 /nfs/dbraw/zinc/15/97/31/1092159731.db2.gz DACQEDRCNGQRQD-INIZCTEOSA-N 2 2 339.443 2.172 20 30 EEEDLP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001439402202 1092159737 /nfs/dbraw/zinc/15/97/37/1092159737.db2.gz DACQEDRCNGQRQD-INIZCTEOSA-N 2 2 339.443 2.172 20 30 EEEDLP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1C#N ZINC001442401893 1096723178 /nfs/dbraw/zinc/72/31/78/1096723178.db2.gz PCIUOTTZFOIVTG-UHFFFAOYSA-N 2 2 342.487 2.371 20 30 EEEDLP C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001447339900 1102477967 /nfs/dbraw/zinc/47/79/67/1102477967.db2.gz IWLBUHZLFBOSGY-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001447339900 1102477971 /nfs/dbraw/zinc/47/79/71/1102477971.db2.gz IWLBUHZLFBOSGY-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP C=C(Br)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001447339900 1102477977 /nfs/dbraw/zinc/47/79/77/1102477977.db2.gz IWLBUHZLFBOSGY-CQSZACIVSA-N 2 2 346.313 2.160 20 30 EEEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000104166573 285340148 /nfs/dbraw/zinc/34/01/48/285340148.db2.gz NOBBYQDUGMEECH-XJKSGUPXSA-N 2 2 338.883 2.416 20 30 EEEDLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000356086172 163329532 /nfs/dbraw/zinc/32/95/32/163329532.db2.gz MUIMMQUMWQRLFH-KBPBESRZSA-N 2 2 334.489 2.336 20 30 EEEDLP CCC[C@]1(C)CCCN(C(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)C1 ZINC000261934621 276293030 /nfs/dbraw/zinc/29/30/30/276293030.db2.gz LXSOBGJONUAIPS-GOSISDBHSA-N 2 2 334.512 2.464 20 30 EEEDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000581380377 324242161 /nfs/dbraw/zinc/24/21/61/324242161.db2.gz RSTXUVZHEDHZSA-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000581380377 324242163 /nfs/dbraw/zinc/24/21/63/324242163.db2.gz RSTXUVZHEDHZSA-GOSISDBHSA-N 2 2 329.444 2.254 20 30 EEEDLP C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)C[NH+]1CCOCC1 ZINC000120311663 462984847 /nfs/dbraw/zinc/98/48/47/462984847.db2.gz UGNLBGNYALIZSA-QGZVFWFLSA-N 2 2 330.476 2.094 20 30 EEEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328869328 465152208 /nfs/dbraw/zinc/15/22/08/465152208.db2.gz PCKKUBNKCQYDMB-VVLHAWIVSA-N 2 2 347.507 2.490 20 30 EEEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328869328 465152214 /nfs/dbraw/zinc/15/22/14/465152214.db2.gz PCKKUBNKCQYDMB-VVLHAWIVSA-N 2 2 347.507 2.490 20 30 EEEDLP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000329063847 465220867 /nfs/dbraw/zinc/22/08/67/465220867.db2.gz KJRYDCHHWYTDQI-MRXNPFEDSA-N 2 2 343.475 2.135 20 30 EEEDLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000329069482 465223030 /nfs/dbraw/zinc/22/30/30/465223030.db2.gz YCMYHRKPBBJFGM-FUHWJXTLSA-N 2 2 347.507 2.344 20 30 EEEDLP C[NH+]1CCN(c2ccc(NCc3ccc(C#N)cc3F)[nH+]c2)CC1 ZINC000269393179 463975817 /nfs/dbraw/zinc/97/58/17/463975817.db2.gz DJYNTJURSHWHJS-UHFFFAOYSA-N 2 2 325.391 2.456 20 30 EEEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000263277078 464076424 /nfs/dbraw/zinc/07/64/24/464076424.db2.gz QWUHAUNJQZHYBA-MRXNPFEDSA-N 2 2 341.484 2.426 20 30 EEEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000263277078 464076432 /nfs/dbraw/zinc/07/64/32/464076432.db2.gz QWUHAUNJQZHYBA-MRXNPFEDSA-N 2 2 341.484 2.426 20 30 EEEDLP C=C1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000264485828 464345644 /nfs/dbraw/zinc/34/56/44/464345644.db2.gz RHWNAEVEHDSNDV-MJGOQNOKSA-N 2 2 327.472 2.418 20 30 EEEDLP C=C1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264485828 464345647 /nfs/dbraw/zinc/34/56/47/464345647.db2.gz RHWNAEVEHDSNDV-MJGOQNOKSA-N 2 2 327.472 2.418 20 30 EEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1[nH+]ccn1C)C(C)C ZINC000271748527 464371307 /nfs/dbraw/zinc/37/13/07/464371307.db2.gz XDBLAZDQBBBUPW-MRXNPFEDSA-N 2 2 333.480 2.260 20 30 EEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285023305 464429076 /nfs/dbraw/zinc/42/90/76/464429076.db2.gz HDOOJNAOFPOIDI-FMJMRLDVSA-N 2 2 340.471 2.292 20 30 EEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285023305 464429078 /nfs/dbraw/zinc/42/90/78/464429078.db2.gz HDOOJNAOFPOIDI-FMJMRLDVSA-N 2 2 340.471 2.292 20 30 EEEDLP COC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000182047898 464560683 /nfs/dbraw/zinc/56/06/83/464560683.db2.gz YGAJBLBBDPKVMZ-UHFFFAOYSA-N 2 2 343.471 2.308 20 30 EEEDLP Cc1cc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000191195455 464794990 /nfs/dbraw/zinc/79/49/90/464794990.db2.gz DOSQQEAGWKQMRD-UHFFFAOYSA-N 2 2 338.459 2.441 20 30 EEEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348325223 465552200 /nfs/dbraw/zinc/55/22/00/465552200.db2.gz QKPXIXIJZBDFGJ-WOJBJXKFSA-N 2 2 339.483 2.251 20 30 EEEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330275703 465594084 /nfs/dbraw/zinc/59/40/84/465594084.db2.gz LWLSCKCZNSQFCW-LSDHHAIUSA-N 2 2 342.447 2.208 20 30 EEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)C2 ZINC000330280468 465596758 /nfs/dbraw/zinc/59/67/58/465596758.db2.gz SLYICTJQBCQZBP-ZDUSSCGKSA-N 2 2 342.447 2.027 20 30 EEEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1C#N ZINC000353043330 465597979 /nfs/dbraw/zinc/59/79/79/465597979.db2.gz CCMPTFLYORDQKA-YQQQUEKLSA-N 2 2 340.471 2.040 20 30 EEEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ccc1C#N ZINC000353043330 465597988 /nfs/dbraw/zinc/59/79/88/465597988.db2.gz CCMPTFLYORDQKA-YQQQUEKLSA-N 2 2 340.471 2.040 20 30 EEEDLP CC(C)[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330336237 465618885 /nfs/dbraw/zinc/61/88/85/465618885.db2.gz ZJNQYLBFPGHJQK-ANQUJSFKSA-N 2 2 334.464 2.288 20 30 EEEDLP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000597241458 468492716 /nfs/dbraw/zinc/49/27/16/468492716.db2.gz FKOWBBNQUOTTKA-SAABIXHNSA-N 2 2 327.428 2.064 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000373767713 466915111 /nfs/dbraw/zinc/91/51/11/466915111.db2.gz BIUMWWYUMNOXFD-UHFFFAOYSA-N 2 2 331.464 2.011 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000575377537 468140606 /nfs/dbraw/zinc/14/06/06/468140606.db2.gz VFHQNBLKVYZQMU-QXAKKESOSA-N 2 2 332.488 2.473 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000575377537 468140609 /nfs/dbraw/zinc/14/06/09/468140609.db2.gz VFHQNBLKVYZQMU-QXAKKESOSA-N 2 2 332.488 2.473 20 30 EEEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601015458 468719489 /nfs/dbraw/zinc/71/94/89/468719489.db2.gz LDTMTXGMZLUTGK-UHFFFAOYSA-N 2 2 325.416 2.384 20 30 EEEDLP N#Cc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000602512480 469344749 /nfs/dbraw/zinc/34/47/49/469344749.db2.gz YTNHPJSVIJWBAI-UHFFFAOYSA-N 2 2 335.455 2.255 20 30 EEEDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)n3)c2)CCO1 ZINC000602522273 469348539 /nfs/dbraw/zinc/34/85/39/469348539.db2.gz TVMVPPWPIFGUAX-INIZCTEOSA-N 2 2 336.439 2.464 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)n3)c2)CCO1 ZINC000602522273 469348545 /nfs/dbraw/zinc/34/85/45/469348545.db2.gz TVMVPPWPIFGUAX-INIZCTEOSA-N 2 2 336.439 2.464 20 30 EEEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000646116367 470534262 /nfs/dbraw/zinc/53/42/62/470534262.db2.gz GKTXPYHGTJQWFU-QZTJIDSGSA-N 2 2 332.488 2.277 20 30 EEEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000646116367 470534265 /nfs/dbraw/zinc/53/42/65/470534265.db2.gz GKTXPYHGTJQWFU-QZTJIDSGSA-N 2 2 332.488 2.277 20 30 EEEDLP C=CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661380698 471734172 /nfs/dbraw/zinc/73/41/72/471734172.db2.gz ITUJGBBMSRKSQB-QGZVFWFLSA-N 2 2 331.460 2.212 20 30 EEEDLP C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661380698 471734174 /nfs/dbraw/zinc/73/41/74/471734174.db2.gz ITUJGBBMSRKSQB-QGZVFWFLSA-N 2 2 331.460 2.212 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000177908596 526452705 /nfs/dbraw/zinc/45/27/05/526452705.db2.gz JEYMIXGYFITCME-AWEZNQCLSA-N 2 2 337.489 2.359 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)CC1 ZINC000763453570 577721469 /nfs/dbraw/zinc/72/14/69/577721469.db2.gz OQBNRHBRFQXABO-NRFANRHFSA-N 2 2 339.483 2.019 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(C)C)CC1 ZINC000763453570 577721470 /nfs/dbraw/zinc/72/14/70/577721470.db2.gz OQBNRHBRFQXABO-NRFANRHFSA-N 2 2 339.483 2.019 20 30 EEEDLP CCN(CC)c1ccc(C=[NH+]NC2=[NH+][C@@H]3CCCC[C@H]3N2)c(O)c1 ZINC000753937152 577796839 /nfs/dbraw/zinc/79/68/39/577796839.db2.gz CLDOZVUDPYYVGQ-HZPDHXFCSA-N 2 2 329.448 2.432 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000735399979 578152002 /nfs/dbraw/zinc/15/20/02/578152002.db2.gz YVBJFUGVFKBDJF-UHFFFAOYSA-N 2 2 339.447 2.203 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCC(C(C)C)CC1 ZINC000261656016 676368733 /nfs/dbraw/zinc/36/87/33/676368733.db2.gz ADUNPZIWUBMNGE-UHFFFAOYSA-N 2 2 334.512 2.366 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447294 679313690 /nfs/dbraw/zinc/31/36/90/679313690.db2.gz KOGAKXGHAWVMGX-IAGOWNOFSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447294 679313692 /nfs/dbraw/zinc/31/36/92/679313692.db2.gz KOGAKXGHAWVMGX-IAGOWNOFSA-N 2 2 330.476 2.240 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451113 679316734 /nfs/dbraw/zinc/31/67/34/679316734.db2.gz FVYYFVNUAYYJLR-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451113 679316736 /nfs/dbraw/zinc/31/67/36/679316736.db2.gz FVYYFVNUAYYJLR-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451113 679316739 /nfs/dbraw/zinc/31/67/39/679316739.db2.gz FVYYFVNUAYYJLR-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451113 679316741 /nfs/dbraw/zinc/31/67/41/679316741.db2.gz FVYYFVNUAYYJLR-JKSUJKDBSA-N 2 2 330.476 2.227 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681283 679473351 /nfs/dbraw/zinc/47/33/51/679473351.db2.gz JHOPMULCCYCTKA-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681283 679473354 /nfs/dbraw/zinc/47/33/54/679473354.db2.gz JHOPMULCCYCTKA-QGZVFWFLSA-N 2 2 336.439 2.337 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227905 682257317 /nfs/dbraw/zinc/25/73/17/682257317.db2.gz UDPPYJXVKNHRCX-IRXDYDNUSA-N 2 2 328.460 2.211 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227905 682257319 /nfs/dbraw/zinc/25/73/19/682257319.db2.gz UDPPYJXVKNHRCX-IRXDYDNUSA-N 2 2 328.460 2.211 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007621390 682717374 /nfs/dbraw/zinc/71/73/74/682717374.db2.gz SMIXRTLDAKRKLZ-OAHLLOKOSA-N 2 2 325.884 2.196 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007621390 682717378 /nfs/dbraw/zinc/71/73/78/682717378.db2.gz SMIXRTLDAKRKLZ-OAHLLOKOSA-N 2 2 325.884 2.196 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000992852539 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MRFMQCRJCJXFFJ-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424527 769013242 /nfs/dbraw/zinc/01/32/42/769013242.db2.gz WJPHEGIQMCUTGC-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089424527 769013245 /nfs/dbraw/zinc/01/32/45/769013245.db2.gz WJPHEGIQMCUTGC-HOTGVXAUSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089487688 769772781 /nfs/dbraw/zinc/77/27/81/769772781.db2.gz MOMWATWGJGHZCX-LSDHHAIUSA-N 2 2 328.460 2.070 20 30 EEEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089487688 769772789 /nfs/dbraw/zinc/77/27/89/769772789.db2.gz MOMWATWGJGHZCX-LSDHHAIUSA-N 2 2 328.460 2.070 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087423244 770081810 /nfs/dbraw/zinc/08/18/10/770081810.db2.gz QFVPJPBCFXYAAA-AQNXPRMDSA-N 2 2 339.483 2.078 20 30 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N#Cc1cnn2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cnc12 ZINC000921197620 773213012 /nfs/dbraw/zinc/21/30/12/773213012.db2.gz RZWQJLVZGDJEPS-UHFFFAOYSA-N 2 2 329.367 2.076 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649473 773778178 /nfs/dbraw/zinc/77/81/78/773778178.db2.gz JRSYFRPBVPXYCS-HOTGVXAUSA-N 2 2 328.460 2.001 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089649473 773778182 /nfs/dbraw/zinc/77/81/82/773778182.db2.gz JRSYFRPBVPXYCS-HOTGVXAUSA-N 2 2 328.460 2.001 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001027897340 774128327 /nfs/dbraw/zinc/12/83/27/774128327.db2.gz LEYDDASJUOCFEF-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001027897340 774128329 /nfs/dbraw/zinc/12/83/29/774128329.db2.gz LEYDDASJUOCFEF-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 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EEEDLP N#Cc1ccc(C[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001146458678 791281801 /nfs/dbraw/zinc/28/18/01/791281801.db2.gz NUUKANIIAUBDEM-UHFFFAOYSA-N 2 2 345.406 2.264 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940513 791633621 /nfs/dbraw/zinc/63/36/21/791633621.db2.gz RAHIEPUVIWDEMK-UONOGXRCSA-N 2 2 336.867 2.483 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940513 791633623 /nfs/dbraw/zinc/63/36/23/791633623.db2.gz RAHIEPUVIWDEMK-UONOGXRCSA-N 2 2 336.867 2.483 20 30 EEEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001147591589 791878516 /nfs/dbraw/zinc/87/85/16/791878516.db2.gz ZXLAXVTYHFXLEO-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001147591589 791878519 /nfs/dbraw/zinc/87/85/19/791878519.db2.gz ZXLAXVTYHFXLEO-UHFFFAOYSA-N 2 2 342.487 2.262 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998050185 791889830 /nfs/dbraw/zinc/88/98/30/791889830.db2.gz FXTAJUHOLDUETG-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998050185 791889839 /nfs/dbraw/zinc/88/98/39/791889839.db2.gz FXTAJUHOLDUETG-IRXDYDNUSA-N 2 2 330.476 2.335 20 30 EEEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966111 806306305 /nfs/dbraw/zinc/30/63/05/806306305.db2.gz DDSPEOOMKWPIOA-JKBKZWBZSA-N 2 2 339.483 2.208 20 30 EEEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001109966111 806306317 /nfs/dbraw/zinc/30/63/17/806306317.db2.gz DDSPEOOMKWPIOA-JKBKZWBZSA-N 2 2 339.483 2.208 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)c1 ZINC000992525072 794499561 /nfs/dbraw/zinc/49/95/61/794499561.db2.gz VVCYNMZIYQGMSO-ICSRJNTNSA-N 2 2 349.438 2.068 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079878071 795312158 /nfs/dbraw/zinc/31/21/58/795312158.db2.gz FBBYSPQYMYBBBR-RLLQIKCJSA-N 2 2 343.515 2.411 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079878071 795312167 /nfs/dbraw/zinc/31/21/67/795312167.db2.gz FBBYSPQYMYBBBR-RLLQIKCJSA-N 2 2 343.515 2.411 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079878071 795312176 /nfs/dbraw/zinc/31/21/76/795312176.db2.gz FBBYSPQYMYBBBR-RLLQIKCJSA-N 2 2 343.515 2.411 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079878071 795312182 /nfs/dbraw/zinc/31/21/82/795312182.db2.gz FBBYSPQYMYBBBR-RLLQIKCJSA-N 2 2 343.515 2.411 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343299 795423798 /nfs/dbraw/zinc/42/37/98/795423798.db2.gz XXZLMQXUDUGMRK-BRWVUGGUSA-N 2 2 330.476 2.096 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080011681 795478245 /nfs/dbraw/zinc/47/82/45/795478245.db2.gz FYDGQVQPCHPACZ-BDJLRTHQSA-N 2 2 332.835 2.445 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080011681 795478253 /nfs/dbraw/zinc/47/82/53/795478253.db2.gz FYDGQVQPCHPACZ-BDJLRTHQSA-N 2 2 332.835 2.445 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108023310 795623528 /nfs/dbraw/zinc/62/35/28/795623528.db2.gz ZAJNSINJOFEOCV-IBGZPJMESA-N 2 2 348.491 2.100 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108023310 795623531 /nfs/dbraw/zinc/62/35/31/795623531.db2.gz ZAJNSINJOFEOCV-IBGZPJMESA-N 2 2 348.491 2.100 20 30 EEEDLP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028107 795881315 /nfs/dbraw/zinc/88/13/15/795881315.db2.gz CEDFBILNOQGDRS-IBGZPJMESA-N 2 2 342.443 2.350 20 30 EEEDLP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028107 795881324 /nfs/dbraw/zinc/88/13/24/795881324.db2.gz CEDFBILNOQGDRS-IBGZPJMESA-N 2 2 342.443 2.350 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994160769 797342332 /nfs/dbraw/zinc/34/23/32/797342332.db2.gz OASMYXSGDLSOQE-NVXWUHKLSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994160769 797342336 /nfs/dbraw/zinc/34/23/36/797342336.db2.gz OASMYXSGDLSOQE-NVXWUHKLSA-N 2 2 339.443 2.426 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994408725 797948271 /nfs/dbraw/zinc/94/82/71/797948271.db2.gz OXJNKFHRQRIDRT-LPHOPBHVSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994408725 797948275 /nfs/dbraw/zinc/94/82/75/797948275.db2.gz OXJNKFHRQRIDRT-LPHOPBHVSA-N 2 2 340.471 2.123 20 30 EEEDLP CCCCCCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676247 798524350 /nfs/dbraw/zinc/52/43/50/798524350.db2.gz UJBGHQZFUBCFGG-SFHVURJKSA-N 2 2 339.524 2.164 20 30 EEEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181947571 800970586 /nfs/dbraw/zinc/97/05/86/800970586.db2.gz POMRSOVJJWDDNQ-JTDSTZFVSA-N 2 2 330.476 2.096 20 30 EEEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004456841 802116383 /nfs/dbraw/zinc/11/63/83/802116383.db2.gz ILLFKXMSCGYUDX-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004456841 802116388 /nfs/dbraw/zinc/11/63/88/802116388.db2.gz ILLFKXMSCGYUDX-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004456841 802116392 /nfs/dbraw/zinc/11/63/92/802116392.db2.gz ILLFKXMSCGYUDX-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004456841 802116397 /nfs/dbraw/zinc/11/63/97/802116397.db2.gz ILLFKXMSCGYUDX-RTBURBONSA-N 2 2 346.519 2.476 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473742 802164881 /nfs/dbraw/zinc/16/48/81/802164881.db2.gz LHEKSRGDYQFJOM-ROUUACIJSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473742 802164885 /nfs/dbraw/zinc/16/48/85/802164885.db2.gz LHEKSRGDYQFJOM-ROUUACIJSA-N 2 2 342.487 2.335 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144250 802367962 /nfs/dbraw/zinc/36/79/62/802367962.db2.gz ULRYCBVPSSRAED-JKSUJKDBSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144250 802367966 /nfs/dbraw/zinc/36/79/66/802367966.db2.gz ULRYCBVPSSRAED-JKSUJKDBSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144250 802367975 /nfs/dbraw/zinc/36/79/75/802367975.db2.gz ULRYCBVPSSRAED-JKSUJKDBSA-N 2 2 327.900 2.250 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144250 802367982 /nfs/dbraw/zinc/36/79/82/802367982.db2.gz ULRYCBVPSSRAED-JKSUJKDBSA-N 2 2 327.900 2.250 20 30 EEEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001108733735 804420382 /nfs/dbraw/zinc/42/03/82/804420382.db2.gz ZIZIRCRWVCSSBL-QRFRQXIXSA-N 2 2 348.450 2.478 20 30 EEEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001496108749 1102077462 /nfs/dbraw/zinc/07/74/62/1102077462.db2.gz SJLVCMZCYGYPQL-OAHLLOKOSA-N 2 2 347.422 2.456 20 30 EEEDLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001508028820 1115393430 /nfs/dbraw/zinc/39/34/30/1115393430.db2.gz LSRCEZHLTJYGDC-KRWDZBQOSA-N 2 2 339.443 2.145 20 30 EEEDLP Cc1ccc(C#N)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000266391860 248278852 /nfs/dbraw/zinc/27/88/52/248278852.db2.gz FYAFORIXNXZYSP-UHFFFAOYSA-N 2 2 343.475 2.356 20 30 EEEDLP Cc1ccc(C#N)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000266391860 248278854 /nfs/dbraw/zinc/27/88/54/248278854.db2.gz FYAFORIXNXZYSP-UHFFFAOYSA-N 2 2 343.475 2.356 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628623 781974663 /nfs/dbraw/zinc/97/46/63/781974663.db2.gz DHPHJEJSLXQCBE-RYQLBKOJSA-N 2 2 330.476 2.381 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628623 781974666 /nfs/dbraw/zinc/97/46/66/781974666.db2.gz DHPHJEJSLXQCBE-RYQLBKOJSA-N 2 2 330.476 2.381 20 30 EEEDLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000270915208 256186660 /nfs/dbraw/zinc/18/66/60/256186660.db2.gz UDWNPYFXNIZNIT-UHFFFAOYSA-N 2 2 337.427 2.414 20 30 EEEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768013 166328438 /nfs/dbraw/zinc/32/84/38/166328438.db2.gz VFJAFEFWHCHBCY-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768013 166328439 /nfs/dbraw/zinc/32/84/39/166328439.db2.gz VFJAFEFWHCHBCY-KXBFYZLASA-N 2 2 330.451 2.155 20 30 EEEDLP Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000548622545 318399381 /nfs/dbraw/zinc/39/93/81/318399381.db2.gz KOXVDWUHBDHRPA-QGZVFWFLSA-N 2 2 332.411 2.260 20 30 EEEDLP C[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000328783951 465128008 /nfs/dbraw/zinc/12/80/08/465128008.db2.gz GPCXREDYMBOISV-CVEARBPZSA-N 2 2 333.480 2.244 20 30 EEEDLP C[NH+](C)CCOc1ccc(CC/[NH+]=C/c2ccc(O)c(O)c2O)cc1 ZINC000264109710 464283397 /nfs/dbraw/zinc/28/33/97/464283397.db2.gz DKQPIWLEODEULU-DEDYPNTBSA-N 2 2 344.411 2.405 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000281243750 464384125 /nfs/dbraw/zinc/38/41/25/464384125.db2.gz GIEQRARYEZFRDP-NEWSRXKRSA-N 2 2 327.472 2.274 20 30 EEEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000281243750 464384127 /nfs/dbraw/zinc/38/41/27/464384127.db2.gz GIEQRARYEZFRDP-NEWSRXKRSA-N 2 2 327.472 2.274 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245432777 464480650 /nfs/dbraw/zinc/48/06/50/464480650.db2.gz BLVSUVFHQPGEPR-IEBWSBKVSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245432777 464480655 /nfs/dbraw/zinc/48/06/55/464480655.db2.gz BLVSUVFHQPGEPR-IEBWSBKVSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245432777 464480661 /nfs/dbraw/zinc/48/06/61/464480661.db2.gz BLVSUVFHQPGEPR-IEBWSBKVSA-N 2 2 342.487 2.201 20 30 EEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245432777 464480669 /nfs/dbraw/zinc/48/06/69/464480669.db2.gz BLVSUVFHQPGEPR-IEBWSBKVSA-N 2 2 342.487 2.201 20 30 EEEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000266124548 464765926 /nfs/dbraw/zinc/76/59/26/464765926.db2.gz JLFFMTHGIQQFSA-MRXNPFEDSA-N 2 2 328.460 2.396 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266920127 464870996 /nfs/dbraw/zinc/87/09/96/464870996.db2.gz LVQUGBMGTPTWLC-WBVHZDCISA-N 2 2 335.411 2.266 20 30 EEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266920127 464870999 /nfs/dbraw/zinc/87/09/99/464870999.db2.gz LVQUGBMGTPTWLC-WBVHZDCISA-N 2 2 335.411 2.266 20 30 EEEDLP C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000329711361 465412641 /nfs/dbraw/zinc/41/26/41/465412641.db2.gz OMHSOLKQFPXANX-NSHDSACASA-N 2 2 345.369 2.099 20 30 EEEDLP C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000329711361 465412646 /nfs/dbraw/zinc/41/26/46/465412646.db2.gz OMHSOLKQFPXANX-NSHDSACASA-N 2 2 345.369 2.099 20 30 EEEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000330243884 465583981 /nfs/dbraw/zinc/58/39/81/465583981.db2.gz CVGJVVFMYZGNPE-OAHLLOKOSA-N 2 2 331.464 2.062 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000366721924 465896466 /nfs/dbraw/zinc/89/64/66/465896466.db2.gz WVTJJTUNXWXVFK-HNNXBMFYSA-N 2 2 331.464 2.019 20 30 EEEDLP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000303786356 466239934 /nfs/dbraw/zinc/23/99/34/466239934.db2.gz RHRINNCKHVSDDX-UHFFFAOYSA-N 2 2 346.475 2.457 20 30 EEEDLP C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149833 466778351 /nfs/dbraw/zinc/77/83/51/466778351.db2.gz PXQKWTZWJCSUDP-PXNSSMCTSA-N 2 2 329.463 2.135 20 30 EEEDLP C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149833 466778352 /nfs/dbraw/zinc/77/83/52/466778352.db2.gz PXQKWTZWJCSUDP-PXNSSMCTSA-N 2 2 329.463 2.135 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334451 467977254 /nfs/dbraw/zinc/97/72/54/467977254.db2.gz VJNWIRZIJHYYQY-ZWKOTPCHSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000530334451 467977256 /nfs/dbraw/zinc/97/72/56/467977256.db2.gz VJNWIRZIJHYYQY-ZWKOTPCHSA-N 2 2 346.519 2.381 20 30 EEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467371 468028635 /nfs/dbraw/zinc/02/86/35/468028635.db2.gz ATKOPZMFLUMALZ-KXBFYZLASA-N 2 2 346.438 2.211 20 30 EEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000516467371 468028639 /nfs/dbraw/zinc/02/86/39/468028639.db2.gz ATKOPZMFLUMALZ-KXBFYZLASA-N 2 2 346.438 2.211 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000577275146 468181407 /nfs/dbraw/zinc/18/14/07/468181407.db2.gz LUTJDPSKEIVUKE-QYZOEREBSA-N 2 2 330.472 2.371 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000577275146 468181412 /nfs/dbraw/zinc/18/14/12/468181412.db2.gz LUTJDPSKEIVUKE-QYZOEREBSA-N 2 2 330.472 2.371 20 30 EEEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000591733660 468511555 /nfs/dbraw/zinc/51/15/55/468511555.db2.gz FMCAWOILUCRIDD-GOSISDBHSA-N 2 2 327.403 2.280 20 30 EEEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000591733660 468511559 /nfs/dbraw/zinc/51/15/59/468511559.db2.gz FMCAWOILUCRIDD-GOSISDBHSA-N 2 2 327.403 2.280 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506961 468880839 /nfs/dbraw/zinc/88/08/39/468880839.db2.gz JFNIHQVUZCRPTD-IBGZPJMESA-N 2 2 329.444 2.363 20 30 EEEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506961 468880842 /nfs/dbraw/zinc/88/08/42/468880842.db2.gz JFNIHQVUZCRPTD-IBGZPJMESA-N 2 2 329.444 2.363 20 30 EEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506961 468880846 /nfs/dbraw/zinc/88/08/46/468880846.db2.gz JFNIHQVUZCRPTD-IBGZPJMESA-N 2 2 329.444 2.363 20 30 EEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506961 468880851 /nfs/dbraw/zinc/88/08/51/468880851.db2.gz JFNIHQVUZCRPTD-IBGZPJMESA-N 2 2 329.444 2.363 20 30 EEEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000599430454 469253201 /nfs/dbraw/zinc/25/32/01/469253201.db2.gz SBGQDOXGRPBXAB-UHFFFAOYSA-N 2 2 329.791 2.322 20 30 EEEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000599430454 469253207 /nfs/dbraw/zinc/25/32/07/469253207.db2.gz SBGQDOXGRPBXAB-UHFFFAOYSA-N 2 2 329.791 2.322 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000612599651 469505843 /nfs/dbraw/zinc/50/58/43/469505843.db2.gz CNGUDFJDWKCLGU-HNNXBMFYSA-N 2 2 346.862 2.110 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(C#N)c3)C2)CC1 ZINC000612599651 469505849 /nfs/dbraw/zinc/50/58/49/469505849.db2.gz CNGUDFJDWKCLGU-HNNXBMFYSA-N 2 2 346.862 2.110 20 30 EEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000177908755 526452150 /nfs/dbraw/zinc/45/21/50/526452150.db2.gz DPSLGJAIVVWJKC-LBPRGKRZSA-N 2 2 327.270 2.274 20 30 EEEDLP C=CC1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000111491597 526964016 /nfs/dbraw/zinc/96/40/16/526964016.db2.gz FDHCQXPDXMNBDR-UHFFFAOYSA-N 2 2 334.508 2.153 20 30 EEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC000291743346 527645419 /nfs/dbraw/zinc/64/54/19/527645419.db2.gz BANBVIRDPKNHRJ-KRWDZBQOSA-N 2 2 331.464 2.107 20 30 EEEDLP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160095155 528803592 /nfs/dbraw/zinc/80/35/92/528803592.db2.gz ULHQDRXRESYJCY-HOTGVXAUSA-N 2 2 333.480 2.037 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000730107045 576716074 /nfs/dbraw/zinc/71/60/74/576716074.db2.gz YMGCNXAHHVVKQJ-PMACEKPBSA-N 2 2 339.483 2.346 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000730107045 576716078 /nfs/dbraw/zinc/71/60/78/576716078.db2.gz YMGCNXAHHVVKQJ-PMACEKPBSA-N 2 2 339.483 2.346 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730592689 577045162 /nfs/dbraw/zinc/04/51/62/577045162.db2.gz WMPICNASRSSFQA-SFHVURJKSA-N 2 2 340.471 2.176 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000730592689 577045166 /nfs/dbraw/zinc/04/51/66/577045166.db2.gz WMPICNASRSSFQA-SFHVURJKSA-N 2 2 340.471 2.176 20 30 EEEDLP C#CC[NH+]1CCC(c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)CC1 ZINC000770874521 577605176 /nfs/dbraw/zinc/60/51/76/577605176.db2.gz AIOSXTYZXKSVDU-UHFFFAOYSA-N 2 2 334.383 2.130 20 30 EEEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718046 676757810 /nfs/dbraw/zinc/75/78/10/676757810.db2.gz CJIRUOCUXXSJDP-RCCFBDPRSA-N 2 2 349.438 2.118 20 30 EEEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971718046 676757811 /nfs/dbraw/zinc/75/78/11/676757811.db2.gz CJIRUOCUXXSJDP-RCCFBDPRSA-N 2 2 349.438 2.118 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423896 676891773 /nfs/dbraw/zinc/89/17/73/676891773.db2.gz LLGWFCQQQLTTST-CALCHBBNSA-N 2 2 345.406 2.257 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023373811 679276862 /nfs/dbraw/zinc/27/68/62/679276862.db2.gz DWIHQYMYULNKTF-KZNAEPCWSA-N 2 2 342.487 2.168 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023373811 679276863 /nfs/dbraw/zinc/27/68/63/679276863.db2.gz DWIHQYMYULNKTF-KZNAEPCWSA-N 2 2 342.487 2.168 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449204 679314420 /nfs/dbraw/zinc/31/44/20/679314420.db2.gz JRGREPPNHNUDQG-IAGOWNOFSA-N 2 2 330.476 2.240 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449204 679314422 /nfs/dbraw/zinc/31/44/22/679314422.db2.gz JRGREPPNHNUDQG-IAGOWNOFSA-N 2 2 330.476 2.240 20 30 EEEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024367001 679883870 /nfs/dbraw/zinc/88/38/70/679883870.db2.gz WSQGWVODUNESDG-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024367001 679883871 /nfs/dbraw/zinc/88/38/71/679883871.db2.gz WSQGWVODUNESDG-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024367001 679883872 /nfs/dbraw/zinc/88/38/72/679883872.db2.gz WSQGWVODUNESDG-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024367001 679883873 /nfs/dbraw/zinc/88/38/73/679883873.db2.gz WSQGWVODUNESDG-WOJBJXKFSA-N 2 2 339.483 2.103 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001024511136 680007315 /nfs/dbraw/zinc/00/73/15/680007315.db2.gz CAGRJMUOJAOXHY-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001024511136 680007322 /nfs/dbraw/zinc/00/73/22/680007322.db2.gz CAGRJMUOJAOXHY-DLBZAZTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289812 682401218 /nfs/dbraw/zinc/40/12/18/682401218.db2.gz SXGLQGRMJUCBFU-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289812 682401222 /nfs/dbraw/zinc/40/12/22/682401222.db2.gz SXGLQGRMJUCBFU-ROUUACIJSA-N 2 2 330.476 2.384 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001026401047 684568240 /nfs/dbraw/zinc/56/82/40/684568240.db2.gz UBWQIKXXIGGGRZ-MELADBBJSA-N 2 2 336.867 2.266 20 30 EEEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)[NH+](C)C ZINC001029478491 685034843 /nfs/dbraw/zinc/03/48/43/685034843.db2.gz OPLZOEZXIBWTMZ-VBQJREDUSA-N 2 2 346.500 2.135 20 30 EEEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)[NH+](C)C ZINC001029478491 685034847 /nfs/dbraw/zinc/03/48/47/685034847.db2.gz OPLZOEZXIBWTMZ-VBQJREDUSA-N 2 2 346.500 2.135 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000987343545 689630293 /nfs/dbraw/zinc/63/02/93/689630293.db2.gz WPNSLNAJSVALPF-HOCLYGCPSA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989639460 692113639 /nfs/dbraw/zinc/11/36/39/692113639.db2.gz YFQAQGDAPNYHNM-CABCVRRESA-N 2 2 325.416 2.036 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950146 1192706864 /nfs/dbraw/zinc/70/68/64/1192706864.db2.gz PCZXRYPYNCYCST-WBVHZDCISA-N 2 2 339.443 2.284 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950146 1192706866 /nfs/dbraw/zinc/70/68/66/1192706866.db2.gz PCZXRYPYNCYCST-WBVHZDCISA-N 2 2 339.443 2.284 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001088666907 1188073585 /nfs/dbraw/zinc/07/35/85/1188073585.db2.gz UETQUWWHLVQVGP-MNEFBYGVSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1C#N ZINC001088666907 1188073588 /nfs/dbraw/zinc/07/35/88/1188073588.db2.gz UETQUWWHLVQVGP-MNEFBYGVSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001088666907 1188073593 /nfs/dbraw/zinc/07/35/93/1188073593.db2.gz UETQUWWHLVQVGP-MNEFBYGVSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001088666907 1188073595 /nfs/dbraw/zinc/07/35/95/1188073595.db2.gz UETQUWWHLVQVGP-MNEFBYGVSA-N 2 2 340.471 2.122 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279266 1196040413 /nfs/dbraw/zinc/04/04/13/1196040413.db2.gz QSDOVHUFGWADQT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279266 1196040418 /nfs/dbraw/zinc/04/04/18/1196040418.db2.gz QSDOVHUFGWADQT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279266 1196040425 /nfs/dbraw/zinc/04/04/25/1196040425.db2.gz QSDOVHUFGWADQT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279266 1196040428 /nfs/dbraw/zinc/04/04/28/1196040428.db2.gz QSDOVHUFGWADQT-JKSUJKDBSA-N 2 2 330.476 2.370 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001034539246 1196362967 /nfs/dbraw/zinc/36/29/67/1196362967.db2.gz ZKZBFMPIIVUEEL-KRWDZBQOSA-N 2 2 337.895 2.055 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC(=C)Cl)C2)CC1 ZINC001034539246 1196362972 /nfs/dbraw/zinc/36/29/72/1196362972.db2.gz ZKZBFMPIIVUEEL-KRWDZBQOSA-N 2 2 337.895 2.055 20 30 EEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005606779 1196539870 /nfs/dbraw/zinc/53/98/70/1196539870.db2.gz QBZXIOXOGKKULH-MRXNPFEDSA-N 2 2 330.476 2.335 20 30 EEEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001018165434 1224416815 /nfs/dbraw/zinc/41/68/15/1224416815.db2.gz JSQQSUNGXCRSJQ-CEXWTWQISA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001018165434 1224416822 /nfs/dbraw/zinc/41/68/22/1224416822.db2.gz JSQQSUNGXCRSJQ-CEXWTWQISA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018165434 1224416826 /nfs/dbraw/zinc/41/68/26/1224416826.db2.gz JSQQSUNGXCRSJQ-CEXWTWQISA-N 2 2 331.504 2.340 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC 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LGKWYHWHVPYBBT-IAGOWNOFSA-N 2 2 338.496 2.083 20 30 EEEDLP C=CCONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000838708978 1315184726 /nfs/dbraw/zinc/18/47/26/1315184726.db2.gz LGKWYHWHVPYBBT-IAGOWNOFSA-N 2 2 338.496 2.083 20 30 EEEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150379989 1316249172 /nfs/dbraw/zinc/24/91/72/1316249172.db2.gz NIWXIHCGSZSQCT-IRXDYDNUSA-N 2 2 334.464 2.008 20 30 EEEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150379989 1316249179 /nfs/dbraw/zinc/24/91/79/1316249179.db2.gz NIWXIHCGSZSQCT-IRXDYDNUSA-N 2 2 334.464 2.008 20 30 EEEDLP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380019 1316249840 /nfs/dbraw/zinc/24/98/40/1316249840.db2.gz OAEUSRHQQVVLGR-KRWDZBQOSA-N 2 2 336.480 2.130 20 30 EEEDLP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380019 1316249850 /nfs/dbraw/zinc/24/98/50/1316249850.db2.gz OAEUSRHQQVVLGR-KRWDZBQOSA-N 2 2 336.480 2.130 20 30 EEEDLP CCCCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001252526311 1317628069 /nfs/dbraw/zinc/62/80/69/1317628069.db2.gz MAMHYUIXWPFPOZ-HXUWFJFHSA-N 2 2 345.487 2.290 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001253395014 1317840605 /nfs/dbraw/zinc/84/06/05/1317840605.db2.gz XRIZKRBBACGOFY-SJLPKXTDSA-N 2 2 331.460 2.150 20 30 EEEDLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001253395014 1317840609 /nfs/dbraw/zinc/84/06/09/1317840609.db2.gz XRIZKRBBACGOFY-SJLPKXTDSA-N 2 2 331.460 2.150 20 30 EEEDLP C=CC[N@H+]1CC=C(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001160195294 1320095474 /nfs/dbraw/zinc/09/54/74/1320095474.db2.gz ARZWKXGEUPLOHM-UHFFFAOYSA-N 2 2 328.460 2.086 20 30 EEEDLP C=CC[N@@H+]1CC=C(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001160195294 1320095476 /nfs/dbraw/zinc/09/54/76/1320095476.db2.gz ARZWKXGEUPLOHM-UHFFFAOYSA-N 2 2 328.460 2.086 20 30 EEEDLP C=CCOCC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356524 1320472322 /nfs/dbraw/zinc/47/23/22/1320472322.db2.gz TVIYBKZRUJBCIS-QGZVFWFLSA-N 2 2 346.475 2.175 20 30 EEEDLP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356524 1320472323 /nfs/dbraw/zinc/47/23/23/1320472323.db2.gz TVIYBKZRUJBCIS-QGZVFWFLSA-N 2 2 346.475 2.175 20 30 EEEDLP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001162832384 1320970161 /nfs/dbraw/zinc/97/01/61/1320970161.db2.gz QLXAGIXFLVATOT-UHFFFAOYSA-N 2 2 338.455 2.027 20 30 EEEDLP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001162832384 1320970162 /nfs/dbraw/zinc/97/01/62/1320970162.db2.gz QLXAGIXFLVATOT-UHFFFAOYSA-N 2 2 338.455 2.027 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165834393 1321594346 /nfs/dbraw/zinc/59/43/46/1321594346.db2.gz BOSPAMFIIVTNRJ-OAHLLOKOSA-N 2 2 330.476 2.275 20 30 EEEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165834393 1321594349 /nfs/dbraw/zinc/59/43/49/1321594349.db2.gz BOSPAMFIIVTNRJ-OAHLLOKOSA-N 2 2 330.476 2.275 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCO2)C3)cc1C#N ZINC001276434637 1322010985 /nfs/dbraw/zinc/01/09/85/1322010985.db2.gz SXKVHYWISBOZNG-PMACEKPBSA-N 2 2 342.487 2.364 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCO2)C3)cc1C#N ZINC001276434637 1322010990 /nfs/dbraw/zinc/01/09/90/1322010990.db2.gz SXKVHYWISBOZNG-PMACEKPBSA-N 2 2 342.487 2.364 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@@H]2CCCO2)C3)cc1C#N ZINC001276434637 1322011000 /nfs/dbraw/zinc/01/10/00/1322011000.db2.gz SXKVHYWISBOZNG-PMACEKPBSA-N 2 2 342.487 2.364 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@@H]2CCCO2)C3)cc1C#N ZINC001276434637 1322011006 /nfs/dbraw/zinc/01/10/06/1322011006.db2.gz SXKVHYWISBOZNG-PMACEKPBSA-N 2 2 342.487 2.364 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206955720 1323741497 /nfs/dbraw/zinc/74/14/97/1323741497.db2.gz FDMRZZWWTZXSOR-SFHVURJKSA-N 2 2 330.476 2.089 20 30 EEEDLP C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)cc1 ZINC001276558641 1324333549 /nfs/dbraw/zinc/33/35/49/1324333549.db2.gz UCGWYBNMDLYIDC-WOJBJXKFSA-N 2 2 348.450 2.130 20 30 EEEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)cc1 ZINC001276558641 1324333555 /nfs/dbraw/zinc/33/35/55/1324333555.db2.gz UCGWYBNMDLYIDC-WOJBJXKFSA-N 2 2 348.450 2.130 20 30 EEEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCOC(C)(C)C3)cc2F)CC1 ZINC001320494812 1332897148 /nfs/dbraw/zinc/89/71/48/1332897148.db2.gz WGSHLAUHYMZBPT-INIZCTEOSA-N 2 2 348.466 2.459 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001380982325 1381480383 /nfs/dbraw/zinc/48/03/83/1381480383.db2.gz QHRBLOHTIXZXEN-UHFFFAOYSA-N 2 2 345.472 2.174 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001380982325 1381480395 /nfs/dbraw/zinc/48/03/95/1381480395.db2.gz QHRBLOHTIXZXEN-UHFFFAOYSA-N 2 2 345.472 2.174 20 30 EEEDLP CC#CC[NH2+]C1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001752852955 1406486808 /nfs/dbraw/zinc/48/68/08/1406486808.db2.gz YEIUNOKZHRSIPR-UHFFFAOYSA-N 2 2 338.455 2.226 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001754916287 1406991623 /nfs/dbraw/zinc/99/16/23/1406991623.db2.gz SOLFNPVYQTVWDR-MRXNPFEDSA-N 2 2 330.476 2.166 20 30 EEEDLP C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001755171995 1407183737 /nfs/dbraw/zinc/18/37/37/1407183737.db2.gz IDELEGLGCNACEV-LJQANCHMSA-N 2 2 336.439 2.012 20 30 EEEDLP C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001755171995 1407183745 /nfs/dbraw/zinc/18/37/45/1407183745.db2.gz IDELEGLGCNACEV-LJQANCHMSA-N 2 2 336.439 2.012 20 30 EEEDLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001425934119 1401811433 /nfs/dbraw/zinc/81/14/33/1401811433.db2.gz IJHWMVAZJQFHJG-YOEHRIQHSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001425934119 1401811436 /nfs/dbraw/zinc/81/14/36/1401811436.db2.gz IJHWMVAZJQFHJG-YOEHRIQHSA-N 2 2 348.516 2.431 20 30 EEEDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001425934119 1401811444 /nfs/dbraw/zinc/81/14/44/1401811444.db2.gz IJHWMVAZJQFHJG-YOEHRIQHSA-N 2 2 348.516 2.431 20 30 EEEDLP C=CC[NH2+]C1(CNC(=O)C2([NH+]3CCOCC3)CCCC2)CCCCC1 ZINC001115755498 1411045035 /nfs/dbraw/zinc/04/50/35/1411045035.db2.gz CHGQRLUFUXETOK-UHFFFAOYSA-N 2 2 349.519 2.226 20 30 EEEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782479 782242197 /nfs/dbraw/zinc/24/21/97/782242197.db2.gz WTAOCOPJFQZAGU-RBUKOAKNSA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782479 782242205 /nfs/dbraw/zinc/24/22/05/782242205.db2.gz WTAOCOPJFQZAGU-RBUKOAKNSA-N 2 2 336.439 2.478 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104367145 759823107 /nfs/dbraw/zinc/82/31/07/759823107.db2.gz IQEXSEFFUYVSBR-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104367145 759823118 /nfs/dbraw/zinc/82/31/18/759823118.db2.gz IQEXSEFFUYVSBR-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001075461563 760931661 /nfs/dbraw/zinc/93/16/61/760931661.db2.gz LGDDXNIWMMNHHC-QGZVFWFLSA-N 2 2 342.487 2.235 20 30 EEEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001075461563 760931672 /nfs/dbraw/zinc/93/16/72/760931672.db2.gz LGDDXNIWMMNHHC-QGZVFWFLSA-N 2 2 342.487 2.235 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980366 775622233 /nfs/dbraw/zinc/62/22/33/775622233.db2.gz RASOIDPUIGLKPD-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980366 775622239 /nfs/dbraw/zinc/62/22/39/775622239.db2.gz RASOIDPUIGLKPD-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027980366 775622249 /nfs/dbraw/zinc/62/22/49/775622249.db2.gz RASOIDPUIGLKPD-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027980366 775622255 /nfs/dbraw/zinc/62/22/55/775622255.db2.gz RASOIDPUIGLKPD-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089814016 776305479 /nfs/dbraw/zinc/30/54/79/776305479.db2.gz BXVHIGKUYUIJDT-RDGPPVDQSA-N 2 2 348.450 2.058 20 30 EEEDLP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089814016 776305490 /nfs/dbraw/zinc/30/54/90/776305490.db2.gz BXVHIGKUYUIJDT-RDGPPVDQSA-N 2 2 348.450 2.058 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997648936 790540785 /nfs/dbraw/zinc/54/07/85/790540785.db2.gz LHZKWBBAJZZIQT-BBRMVZONSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997648936 790540790 /nfs/dbraw/zinc/54/07/90/790540790.db2.gz LHZKWBBAJZZIQT-BBRMVZONSA-N 2 2 330.476 2.226 20 30 EEEDLP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089839245 777495110 /nfs/dbraw/zinc/49/51/10/777495110.db2.gz RJBGOWSLALBTRE-YVSFHVDLSA-N 2 2 336.439 2.303 20 30 EEEDLP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc2[nH+]ccn21 ZINC001089839245 777495114 /nfs/dbraw/zinc/49/51/14/777495114.db2.gz RJBGOWSLALBTRE-YVSFHVDLSA-N 2 2 336.439 2.303 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848681 778359523 /nfs/dbraw/zinc/35/95/23/778359523.db2.gz WLGZGVXHDOGSQW-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848681 778359529 /nfs/dbraw/zinc/35/95/29/778359529.db2.gz WLGZGVXHDOGSQW-HNNXBMFYSA-N 2 2 325.884 2.148 20 30 EEEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848681 778359533 /nfs/dbraw/zinc/35/95/33/778359533.db2.gz 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C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443402 780289879 /nfs/dbraw/zinc/28/98/79/780289879.db2.gz KSEXZUBHYUJGFQ-RTBURBONSA-N 2 2 338.455 2.352 20 30 EEEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443402 780289883 /nfs/dbraw/zinc/28/98/83/780289883.db2.gz KSEXZUBHYUJGFQ-RTBURBONSA-N 2 2 338.455 2.352 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087453388 780857073 /nfs/dbraw/zinc/85/70/73/780857073.db2.gz QIFWIXPNWYTZCO-GUDVDZBRSA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087453388 780857078 /nfs/dbraw/zinc/85/70/78/780857078.db2.gz QIFWIXPNWYTZCO-GUDVDZBRSA-N 2 2 345.462 2.380 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087453388 780857084 /nfs/dbraw/zinc/85/70/84/780857084.db2.gz QIFWIXPNWYTZCO-GUDVDZBRSA-N 2 2 345.462 2.380 20 30 EEEDLP 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EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001177356766 798907874 /nfs/dbraw/zinc/90/78/74/798907874.db2.gz ILZUBRLLUROZRL-GOSISDBHSA-N 2 2 342.487 2.077 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248282 800286387 /nfs/dbraw/zinc/28/63/87/800286387.db2.gz CHUJEHXYEUFDGE-FVQBIDKESA-N 2 2 336.867 2.215 20 30 EEEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085249920 800287207 /nfs/dbraw/zinc/28/72/07/800287207.db2.gz WXTCNTDZMGUCKB-RBSFLKMASA-N 2 2 336.867 2.215 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075008 803604901 /nfs/dbraw/zinc/60/49/01/803604901.db2.gz FAHCOTPJDAHXFC-VQIMIIECSA-N 3 2 326.444 2.057 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075008 803604905 /nfs/dbraw/zinc/60/49/05/803604905.db2.gz FAHCOTPJDAHXFC-VQIMIIECSA-N 3 2 326.444 2.057 20 30 EEEDLP C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C 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ZINC001158148274 1319043129 /nfs/dbraw/zinc/04/31/29/1319043129.db2.gz KZFJYHVZDPJSBM-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001158148274 1319043142 /nfs/dbraw/zinc/04/31/42/1319043142.db2.gz KZFJYHVZDPJSBM-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529596 1320186523 /nfs/dbraw/zinc/18/65/23/1320186523.db2.gz KTQDVZGPMKQLHL-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529596 1320186525 /nfs/dbraw/zinc/18/65/25/1320186525.db2.gz KTQDVZGPMKQLHL-QGZVFWFLSA-N 2 2 328.460 2.160 20 30 EEEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160951383 1320329902 /nfs/dbraw/zinc/32/99/02/1320329902.db2.gz LOTBPVKCZFONHH-XPGWFJOJSA-N 2 2 348.450 2.195 20 30 EEEDLP C#CC[N@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627350 1320562987 /nfs/dbraw/zinc/56/29/87/1320562987.db2.gz ISJMDVODLRPIQD-UHFFFAOYSA-N 2 2 334.423 2.258 20 30 EEEDLP C#CC[N@@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627350 1320562991 /nfs/dbraw/zinc/56/29/91/1320562991.db2.gz ISJMDVODLRPIQD-UHFFFAOYSA-N 2 2 334.423 2.258 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164495852 1321396696 /nfs/dbraw/zinc/39/66/96/1321396696.db2.gz AKPHRLSPDRDUAQ-FUHWJXTLSA-N 2 2 337.508 2.080 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164495852 1321396701 /nfs/dbraw/zinc/39/67/01/1321396701.db2.gz AKPHRLSPDRDUAQ-FUHWJXTLSA-N 2 2 337.508 2.080 20 30 EEEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165638445 1321557502 /nfs/dbraw/zinc/55/75/02/1321557502.db2.gz SALWQHRZSILJIF-QGZVFWFLSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679790 1321939938 /nfs/dbraw/zinc/93/99/38/1321939938.db2.gz ZYCKQBBLBYKUHI-IAGOWNOFSA-N 2 2 330.476 2.336 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001262948566 1322402848 /nfs/dbraw/zinc/40/28/48/1322402848.db2.gz PSHXCYTWMNGADK-QGZVFWFLSA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001262948566 1322402850 /nfs/dbraw/zinc/40/28/50/1322402850.db2.gz PSHXCYTWMNGADK-QGZVFWFLSA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCCCCC[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209424052 1324930236 /nfs/dbraw/zinc/93/02/36/1324930236.db2.gz ILJWGVXCZGJTTF-UHFFFAOYSA-N 2 2 341.459 2.440 20 30 EEEDLP C=CCCCCC[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209424052 1324930238 /nfs/dbraw/zinc/93/02/38/1324930238.db2.gz ILJWGVXCZGJTTF-UHFFFAOYSA-N 2 2 341.459 2.440 20 30 EEEDLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)Cc1cccc(C#N)c1 ZINC001282431773 1325719837 /nfs/dbraw/zinc/71/98/37/1325719837.db2.gz ULGHHAGMIXQRAY-HNNXBMFYSA-N 2 2 347.422 2.456 20 30 EEEDLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001282431773 1325719842 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2.274 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)C2=O)cc1 ZINC001580067209 1344462265 /nfs/dbraw/zinc/46/22/65/1344462265.db2.gz KPDGEHRAXQBGGO-UHOSZYNNSA-N 2 2 338.455 2.128 20 30 EEEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)C2=O)cc1 ZINC001580067209 1344462266 /nfs/dbraw/zinc/46/22/66/1344462266.db2.gz KPDGEHRAXQBGGO-UHOSZYNNSA-N 2 2 338.455 2.128 20 30 EEEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001112439260 1371442725 /nfs/dbraw/zinc/44/27/25/1371442725.db2.gz PYMLOBTUMSHHME-ZWOKBUDYSA-N 2 2 342.487 2.240 20 30 EEEDLP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001377971753 1379606992 /nfs/dbraw/zinc/60/69/92/1379606992.db2.gz OZBHCFBHQIKBIT-UHFFFAOYSA-N 2 2 339.443 2.098 20 30 EEEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202632 758232680 /nfs/dbraw/zinc/23/26/80/758232680.db2.gz NFRJXKIAWBKIPL-HZPDHXFCSA-N 2 2 330.476 2.336 20 30 EEEDLP C[C@H](CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1)n1cc[nH+]c1 ZINC001167432691 759358616 /nfs/dbraw/zinc/35/86/16/759358616.db2.gz XKDSLGZSRZNJOC-CQSZACIVSA-N 2 2 343.406 2.141 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461437 760932184 /nfs/dbraw/zinc/93/21/84/760932184.db2.gz HIQMKEKCEAPSHA-KRWDZBQOSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461437 760932192 /nfs/dbraw/zinc/93/21/92/760932192.db2.gz HIQMKEKCEAPSHA-KRWDZBQOSA-N 2 2 330.476 2.410 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734497 761587436 /nfs/dbraw/zinc/58/74/36/761587436.db2.gz WCVJEYSCEVWWMQ-RBUKOAKNSA-N 2 2 338.455 2.434 20 30 EEEDLP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087315568 761603374 /nfs/dbraw/zinc/60/33/74/761603374.db2.gz DZLZNAAYRGHVSO-FHLIZLRMSA-N 2 2 330.476 2.442 20 30 EEEDLP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087315568 761603377 /nfs/dbraw/zinc/60/33/77/761603377.db2.gz DZLZNAAYRGHVSO-FHLIZLRMSA-N 2 2 330.476 2.442 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087316413 761609106 /nfs/dbraw/zinc/60/91/06/761609106.db2.gz RFKFOCVMRBKFHG-FHLIZLRMSA-N 2 2 330.476 2.442 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087316413 761609109 /nfs/dbraw/zinc/60/91/09/761609109.db2.gz RFKFOCVMRBKFHG-FHLIZLRMSA-N 2 2 330.476 2.442 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102180 782914608 /nfs/dbraw/zinc/91/46/08/782914608.db2.gz SXLZIYBIIAJADP-OWCLPIDISA-N 2 2 328.460 2.186 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102180 782914611 /nfs/dbraw/zinc/91/46/11/782914611.db2.gz SXLZIYBIIAJADP-OWCLPIDISA-N 2 2 328.460 2.186 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000980001366 773693514 /nfs/dbraw/zinc/69/35/14/773693514.db2.gz OMOOQVYGXIUBIP-JQHSSLGASA-N 2 2 343.471 2.426 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC000980001366 773693515 /nfs/dbraw/zinc/69/35/15/773693515.db2.gz OMOOQVYGXIUBIP-JQHSSLGASA-N 2 2 343.471 2.426 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCF ZINC001089652562 773848912 /nfs/dbraw/zinc/84/89/12/773848912.db2.gz GQJUNDCZWGRBMJ-IRXDYDNUSA-N 2 2 337.483 2.050 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCF ZINC001089652562 773848917 /nfs/dbraw/zinc/84/89/17/773848917.db2.gz GQJUNDCZWGRBMJ-IRXDYDNUSA-N 2 2 337.483 2.050 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089652562 773848918 /nfs/dbraw/zinc/84/89/18/773848918.db2.gz GQJUNDCZWGRBMJ-IRXDYDNUSA-N 2 2 337.483 2.050 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089652562 773848923 /nfs/dbraw/zinc/84/89/23/773848923.db2.gz GQJUNDCZWGRBMJ-IRXDYDNUSA-N 2 2 337.483 2.050 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001089805069 775934329 /nfs/dbraw/zinc/93/43/29/775934329.db2.gz ZNQPZOQYALHUMQ-XSLAGTTESA-N 2 2 342.487 2.477 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001089805069 775934344 /nfs/dbraw/zinc/93/43/44/775934344.db2.gz ZNQPZOQYALHUMQ-XSLAGTTESA-N 2 2 342.487 2.477 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000981554242 777639636 /nfs/dbraw/zinc/63/96/36/777639636.db2.gz RUKVQRZQADNLAT-UONOGXRCSA-N 2 2 343.456 2.033 20 30 EEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000981841796 778353530 /nfs/dbraw/zinc/35/35/30/778353530.db2.gz LTVGVAAJSCXWAD-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000981841796 778353535 /nfs/dbraw/zinc/35/35/35/778353535.db2.gz LTVGVAAJSCXWAD-UHFFFAOYSA-N 2 2 329.444 2.133 20 30 EEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC000981857487 778393926 /nfs/dbraw/zinc/39/39/26/778393926.db2.gz YHRKXQHLURRIQT-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC000981857487 778393929 /nfs/dbraw/zinc/39/39/29/778393929.db2.gz YHRKXQHLURRIQT-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC000981857487 778393935 /nfs/dbraw/zinc/39/39/35/778393935.db2.gz YHRKXQHLURRIQT-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC000981857487 778393942 /nfs/dbraw/zinc/39/39/42/778393942.db2.gz YHRKXQHLURRIQT-INIZCTEOSA-N 2 2 342.487 2.324 20 30 EEEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@]2(C)C1 ZINC000982311864 779684964 /nfs/dbraw/zinc/68/49/64/779684964.db2.gz LYDSIFGMSIJBQC-FFZOFVMBSA-N 2 2 342.487 2.192 20 30 EEEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@]2(C)C1 ZINC000982311864 779684966 /nfs/dbraw/zinc/68/49/66/779684966.db2.gz LYDSIFGMSIJBQC-FFZOFVMBSA-N 2 2 342.487 2.192 20 30 EEEDLP C=C(Br)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131975763 783537544 /nfs/dbraw/zinc/53/75/44/783537544.db2.gz DTAAASTYDMCLGH-UHFFFAOYSA-N 2 2 349.232 2.100 20 30 EEEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC001035200316 784040263 /nfs/dbraw/zinc/04/02/63/784040263.db2.gz WGOYWGIXZVCWFS-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC001035200316 784040270 /nfs/dbraw/zinc/04/02/70/784040270.db2.gz WGOYWGIXZVCWFS-QGZVFWFLSA-N 2 2 342.487 2.336 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896119 785234167 /nfs/dbraw/zinc/23/41/67/785234167.db2.gz URUFKDOEGALSEB-QAPCUYQASA-N 2 2 345.491 2.078 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896119 785234174 /nfs/dbraw/zinc/23/41/74/785234174.db2.gz URUFKDOEGALSEB-QAPCUYQASA-N 2 2 345.491 2.078 20 30 EEEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000819011619 785362687 /nfs/dbraw/zinc/36/26/87/785362687.db2.gz SXCHERSRAVHZHA-IBGZPJMESA-N 2 2 339.439 2.171 20 30 EEEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000819011619 785362700 /nfs/dbraw/zinc/36/27/00/785362700.db2.gz SXCHERSRAVHZHA-IBGZPJMESA-N 2 2 339.439 2.171 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549263 805653243 /nfs/dbraw/zinc/65/32/43/805653243.db2.gz SHALWSMVLBZLNI-NCOADZHNSA-N 2 2 330.476 2.429 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549263 805653247 /nfs/dbraw/zinc/65/32/47/805653247.db2.gz SHALWSMVLBZLNI-NCOADZHNSA-N 2 2 330.476 2.429 20 30 EEEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146561658 791343183 /nfs/dbraw/zinc/34/31/83/791343183.db2.gz JCJGOPOEIQXEDY-CABCVRRESA-N 2 2 333.501 2.002 20 30 EEEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146561658 791343189 /nfs/dbraw/zinc/34/31/89/791343189.db2.gz JCJGOPOEIQXEDY-CABCVRRESA-N 2 2 333.501 2.002 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948119 793049546 /nfs/dbraw/zinc/04/95/46/793049546.db2.gz PZFATYOWAJSSRI-HZPDHXFCSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948119 793049555 /nfs/dbraw/zinc/04/95/55/793049555.db2.gz PZFATYOWAJSSRI-HZPDHXFCSA-N 2 2 330.476 2.477 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086947899 793049636 /nfs/dbraw/zinc/04/96/36/793049636.db2.gz KCIPLZFQKVEJEL-SJORKVTESA-N 2 2 342.487 2.315 20 30 EEEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086947899 793049648 /nfs/dbraw/zinc/04/96/48/793049648.db2.gz KCIPLZFQKVEJEL-SJORKVTESA-N 2 2 342.487 2.315 20 30 EEEDLP C=CCC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001093578897 795388838 /nfs/dbraw/zinc/38/88/38/795388838.db2.gz IDCWXIQQDLYCFN-MRXNPFEDSA-N 2 2 346.475 2.102 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001108010043 795502205 /nfs/dbraw/zinc/50/22/05/795502205.db2.gz LOONKSFJBHHXOO-IEBWSBKVSA-N 2 2 348.491 2.254 20 30 EEEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001108010043 795502211 /nfs/dbraw/zinc/50/22/11/795502211.db2.gz LOONKSFJBHHXOO-IEBWSBKVSA-N 2 2 348.491 2.254 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391795 796524835 /nfs/dbraw/zinc/52/48/35/796524835.db2.gz HSFFMVQOZXVVAA-GOEBONIOSA-N 2 2 333.501 2.416 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993391795 796524838 /nfs/dbraw/zinc/52/48/38/796524838.db2.gz HSFFMVQOZXVVAA-GOEBONIOSA-N 2 2 333.501 2.416 20 30 EEEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171890194 796784531 /nfs/dbraw/zinc/78/45/31/796784531.db2.gz SFIVCSFXKSYIHF-CQSZACIVSA-N 2 2 326.872 2.370 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993636367 796858742 /nfs/dbraw/zinc/85/87/42/796858742.db2.gz PHOAPDKTVLZDHI-APWZRJJASA-N 2 2 336.439 2.478 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000993636367 796858747 /nfs/dbraw/zinc/85/87/47/796858747.db2.gz PHOAPDKTVLZDHI-APWZRJJASA-N 2 2 336.439 2.478 20 30 EEEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001106828645 796915310 /nfs/dbraw/zinc/91/53/10/796915310.db2.gz AIPUBRNSABTCKZ-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000915975090 797463731 /nfs/dbraw/zinc/46/37/31/797463731.db2.gz ZWLMOWQHPPXHIT-UHFFFAOYSA-N 2 2 330.476 2.323 20 30 EEEDLP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178937201 799690786 /nfs/dbraw/zinc/69/07/86/799690786.db2.gz VZMIRILWQOSALS-AITUJVMLSA-N 2 2 348.450 2.144 20 30 EEEDLP CC#CC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001180047546 800219543 /nfs/dbraw/zinc/21/95/43/800219543.db2.gz XNAXCLGRZATZMK-UHFFFAOYSA-N 2 2 339.443 2.170 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205945 801102952 /nfs/dbraw/zinc/10/29/52/801102952.db2.gz BLSQPRYLMVRDNF-DNVCBOLYSA-N 2 2 346.475 2.003 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001108205945 801102957 /nfs/dbraw/zinc/10/29/57/801102957.db2.gz BLSQPRYLMVRDNF-DNVCBOLYSA-N 2 2 346.475 2.003 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001182653942 801299552 /nfs/dbraw/zinc/29/95/52/801299552.db2.gz BNMXIXUINKDCEH-KZNAEPCWSA-N 2 2 342.487 2.311 20 30 EEEDLP N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498659 802232699 /nfs/dbraw/zinc/23/26/99/802232699.db2.gz OHMVFRQHYKAPPD-RBUKOAKNSA-N 2 2 344.503 2.087 20 30 EEEDLP N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498659 802232707 /nfs/dbraw/zinc/23/27/07/802232707.db2.gz OHMVFRQHYKAPPD-RBUKOAKNSA-N 2 2 344.503 2.087 20 30 EEEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597518 809191106 /nfs/dbraw/zinc/19/11/06/809191106.db2.gz JPDRDQXGPIJHQB-VQTJNVASSA-N 2 2 344.418 2.165 20 30 EEEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597518 809191114 /nfs/dbraw/zinc/19/11/14/809191114.db2.gz JPDRDQXGPIJHQB-VQTJNVASSA-N 2 2 344.418 2.165 20 30 EEEDLP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001438245756 1090727469 /nfs/dbraw/zinc/72/74/69/1090727469.db2.gz KKFMMKUEVMHSIM-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001438245756 1090727473 /nfs/dbraw/zinc/72/74/73/1090727473.db2.gz KKFMMKUEVMHSIM-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001438245756 1090727479 /nfs/dbraw/zinc/72/74/79/1090727479.db2.gz KKFMMKUEVMHSIM-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001438245756 1090727483 /nfs/dbraw/zinc/72/74/83/1090727483.db2.gz KKFMMKUEVMHSIM-KRWDZBQOSA-N 2 2 346.450 2.072 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)CC(F)(F)F)CC2)cc1 ZINC000344331014 161217987 /nfs/dbraw/zinc/21/79/87/161217987.db2.gz ONHXNGLRZXZJON-INIZCTEOSA-N 2 2 341.377 2.426 20 30 EEEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000353024867 162398079 /nfs/dbraw/zinc/39/80/79/162398079.db2.gz HWEFCOZRFVXYEO-UHFFFAOYSA-N 2 2 345.487 2.426 20 30 EEEDLP CC1CC[NH+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000566713704 319313036 /nfs/dbraw/zinc/31/30/36/319313036.db2.gz GRGBKPDWJLHXFR-UHFFFAOYSA-N 2 2 349.500 2.044 20 30 EEEDLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181728139 323353802 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C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102181 782914460 /nfs/dbraw/zinc/91/44/60/782914460.db2.gz SXLZIYBIIAJADP-PMPSAXMXSA-N 2 2 328.460 2.186 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001027897338 774128382 /nfs/dbraw/zinc/12/83/82/774128382.db2.gz LEYDDASJUOCFEF-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001027897338 774128386 /nfs/dbraw/zinc/12/83/86/774128386.db2.gz LEYDDASJUOCFEF-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001027897338 774128389 /nfs/dbraw/zinc/12/83/89/774128389.db2.gz LEYDDASJUOCFEF-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001027897338 774128393 /nfs/dbraw/zinc/12/83/93/774128393.db2.gz LEYDDASJUOCFEF-MAUKXSAKSA-N 2 2 345.491 2.337 20 30 EEEDLP C[NH+](C)C1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCC1 ZINC000981324930 777174024 /nfs/dbraw/zinc/17/40/24/777174024.db2.gz XYMIZDCZYOUZDY-UHFFFAOYSA-N 2 2 339.483 2.057 20 30 EEEDLP C[NH+](C)C1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCC1 ZINC000981324930 777174030 /nfs/dbraw/zinc/17/40/30/777174030.db2.gz XYMIZDCZYOUZDY-UHFFFAOYSA-N 2 2 339.483 2.057 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089847324 777876579 /nfs/dbraw/zinc/87/65/79/777876579.db2.gz QBSKOVBRBAOGSX-MLHJIOFPSA-N 2 2 328.460 2.018 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089847324 777876592 /nfs/dbraw/zinc/87/65/92/777876592.db2.gz QBSKOVBRBAOGSX-MLHJIOFPSA-N 2 2 328.460 2.018 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235403 779488581 /nfs/dbraw/zinc/48/85/81/779488581.db2.gz WVDVAVODLIWNDX-MRXNPFEDSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235403 779488584 /nfs/dbraw/zinc/48/85/84/779488584.db2.gz WVDVAVODLIWNDX-MRXNPFEDSA-N 2 2 327.900 2.440 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001086785076 784468651 /nfs/dbraw/zinc/46/86/51/784468651.db2.gz JGYLZSIQBYDUAT-YQVWRLOYSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001086785076 784468657 /nfs/dbraw/zinc/46/86/57/784468657.db2.gz JGYLZSIQBYDUAT-YQVWRLOYSA-N 2 2 349.519 2.080 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035795476 785145582 /nfs/dbraw/zinc/14/55/82/785145582.db2.gz TUINGCYEIXKUGL-AWEZNQCLSA-N 2 2 325.884 2.005 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035795476 785145587 /nfs/dbraw/zinc/14/55/87/785145587.db2.gz TUINGCYEIXKUGL-AWEZNQCLSA-N 2 2 325.884 2.005 20 30 EEEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035811975 785212172 /nfs/dbraw/zinc/21/21/72/785212172.db2.gz LOGSYPLQOIOZPC-UHFFFAOYSA-N 2 2 342.487 2.344 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995970904 785901676 /nfs/dbraw/zinc/90/16/76/785901676.db2.gz HRMUOUGYWXYDCW-ZFWWWQNUSA-N 2 2 336.867 2.025 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000997093984 788775980 /nfs/dbraw/zinc/77/59/80/788775980.db2.gz NLBBGDWPMGEJGR-KDOFPFPSSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000997093984 788775990 /nfs/dbraw/zinc/77/59/90/788775990.db2.gz NLBBGDWPMGEJGR-KDOFPFPSSA-N 2 2 345.491 2.193 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997279170 789527889 /nfs/dbraw/zinc/52/78/89/789527889.db2.gz LAISYXFQTDDXNM-APWZRJJASA-N 2 2 349.519 2.033 20 30 EEEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997279170 789527898 /nfs/dbraw/zinc/52/78/98/789527898.db2.gz LAISYXFQTDDXNM-APWZRJJASA-N 2 2 349.519 2.033 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998044350 791880869 /nfs/dbraw/zinc/88/08/69/791880869.db2.gz GQFGWHISBYSEJT-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998044350 791880872 /nfs/dbraw/zinc/88/08/72/791880872.db2.gz GQFGWHISBYSEJT-QZTJIDSGSA-N 2 2 342.487 2.172 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001148893353 792765234 /nfs/dbraw/zinc/76/52/34/792765234.db2.gz DJXSAHXGBFSHMR-UHFFFAOYSA-N 2 2 347.890 2.405 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001148893353 792765242 /nfs/dbraw/zinc/76/52/42/792765242.db2.gz DJXSAHXGBFSHMR-UHFFFAOYSA-N 2 2 347.890 2.405 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893353 792765251 /nfs/dbraw/zinc/76/52/51/792765251.db2.gz DJXSAHXGBFSHMR-UHFFFAOYSA-N 2 2 347.890 2.405 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893353 792765260 /nfs/dbraw/zinc/76/52/60/792765260.db2.gz DJXSAHXGBFSHMR-UHFFFAOYSA-N 2 2 347.890 2.405 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001036719558 794619554 /nfs/dbraw/zinc/61/95/54/794619554.db2.gz GSKKVQXLYNCFJU-WMZOPIPTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001036719558 794619561 /nfs/dbraw/zinc/61/95/61/794619561.db2.gz GSKKVQXLYNCFJU-WMZOPIPTSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC001036719556 794619606 /nfs/dbraw/zinc/61/96/06/794619606.db2.gz GSKKVQXLYNCFJU-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC001036719556 794619612 /nfs/dbraw/zinc/61/96/12/794619612.db2.gz GSKKVQXLYNCFJU-FUHWJXTLSA-N 2 2 342.487 2.261 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036746976 794754825 /nfs/dbraw/zinc/75/48/25/794754825.db2.gz BQEBNTWUMZNCFS-NVXWUHKLSA-N 2 2 329.444 2.132 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036746976 794754832 /nfs/dbraw/zinc/75/48/32/794754832.db2.gz BQEBNTWUMZNCFS-NVXWUHKLSA-N 2 2 329.444 2.132 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106343138 795423747 /nfs/dbraw/zinc/42/37/47/795423747.db2.gz QWVVQNOBXBTLKW-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106343138 795423749 /nfs/dbraw/zinc/42/37/49/795423749.db2.gz QWVVQNOBXBTLKW-HYVNUMGLSA-N 2 2 344.503 2.473 20 30 EEEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108023311 795623866 /nfs/dbraw/zinc/62/38/66/795623866.db2.gz ZAJNSINJOFEOCV-LJQANCHMSA-N 2 2 348.491 2.100 20 30 EEEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001108023311 795623872 /nfs/dbraw/zinc/62/38/72/795623872.db2.gz ZAJNSINJOFEOCV-LJQANCHMSA-N 2 2 348.491 2.100 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110053611 806461374 /nfs/dbraw/zinc/46/13/74/806461374.db2.gz OELSAFCGKMHTMS-LMSBXDPUSA-N 2 2 330.476 2.429 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110053611 806461378 /nfs/dbraw/zinc/46/13/78/806461378.db2.gz OELSAFCGKMHTMS-LMSBXDPUSA-N 2 2 330.476 2.429 20 30 EEEDLP C[C@H](CCCC#N)[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001172498369 797009791 /nfs/dbraw/zinc/00/97/91/797009791.db2.gz KRMKGRHFPYKNMJ-IAGOWNOFSA-N 2 2 344.507 2.089 20 30 EEEDLP C[C@H](CCCC#N)[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001172498369 797009794 /nfs/dbraw/zinc/00/97/94/797009794.db2.gz KRMKGRHFPYKNMJ-IAGOWNOFSA-N 2 2 344.507 2.089 20 30 EEEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001095036421 797259433 /nfs/dbraw/zinc/25/94/33/797259433.db2.gz CMCPOUWFCAWGDX-ZOBUZTSGSA-N 2 2 337.427 2.036 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431318 798963236 /nfs/dbraw/zinc/96/32/36/798963236.db2.gz SULDPFRIIUOXFG-QGZVFWFLSA-N 2 2 330.476 2.466 20 30 EEEDLP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179558558 799992402 /nfs/dbraw/zinc/99/24/02/799992402.db2.gz YXCBPDKRYWFNIH-INIZCTEOSA-N 2 2 348.491 2.298 20 30 EEEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085602605 800875761 /nfs/dbraw/zinc/87/57/61/800875761.db2.gz GLCSQQPYQBLNAA-KZNAEPCWSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085602605 800875766 /nfs/dbraw/zinc/87/57/66/800875766.db2.gz GLCSQQPYQBLNAA-KZNAEPCWSA-N 2 2 342.487 2.263 20 30 EEEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001181946065 800969535 /nfs/dbraw/zinc/96/95/35/800969535.db2.gz AZLMPQLYNAAWIB-MBOZVWFJSA-N 2 2 344.503 2.486 20 30 EEEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675100 801015229 /nfs/dbraw/zinc/01/52/29/801015229.db2.gz LGXIZZARARFSAI-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675100 801015235 /nfs/dbraw/zinc/01/52/35/801015235.db2.gz LGXIZZARARFSAI-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085675100 801015241 /nfs/dbraw/zinc/01/52/41/801015241.db2.gz LGXIZZARARFSAI-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085675100 801015248 /nfs/dbraw/zinc/01/52/48/801015248.db2.gz LGXIZZARARFSAI-MOPGFXCFSA-N 2 2 340.471 2.075 20 30 EEEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001183773938 801730412 /nfs/dbraw/zinc/73/04/12/801730412.db2.gz VFUMETYAXALAAC-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001184437333 802017713 /nfs/dbraw/zinc/01/77/13/802017713.db2.gz UQTVZCJKTUSHGX-IAGOWNOFSA-N 2 2 344.503 2.412 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004582779 802417304 /nfs/dbraw/zinc/41/73/04/802417304.db2.gz YGESSKMMYLQFOA-MAUKXSAKSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004582779 802417309 /nfs/dbraw/zinc/41/73/09/802417309.db2.gz YGESSKMMYLQFOA-MAUKXSAKSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004582779 802417315 /nfs/dbraw/zinc/41/73/15/802417315.db2.gz YGESSKMMYLQFOA-MAUKXSAKSA-N 2 2 330.476 2.477 20 30 EEEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004582779 802417319 /nfs/dbraw/zinc/41/73/19/802417319.db2.gz YGESSKMMYLQFOA-MAUKXSAKSA-N 2 2 330.476 2.477 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033199403 803066840 /nfs/dbraw/zinc/06/68/40/803066840.db2.gz SLBOXOCMHYPYHU-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033199403 803066847 /nfs/dbraw/zinc/06/68/47/803066847.db2.gz SLBOXOCMHYPYHU-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033199403 803066853 /nfs/dbraw/zinc/06/68/53/803066853.db2.gz SLBOXOCMHYPYHU-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033199403 803066859 /nfs/dbraw/zinc/06/68/59/803066859.db2.gz SLBOXOCMHYPYHU-RTBURBONSA-N 2 2 340.471 2.075 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033219191 803329361 /nfs/dbraw/zinc/32/93/61/803329361.db2.gz XNKVNKUCPPHQQX-JKSUJKDBSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033219191 803329369 /nfs/dbraw/zinc/32/93/69/803329369.db2.gz XNKVNKUCPPHQQX-JKSUJKDBSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033219191 803329379 /nfs/dbraw/zinc/32/93/79/803329379.db2.gz XNKVNKUCPPHQQX-JKSUJKDBSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033219191 803329387 /nfs/dbraw/zinc/32/93/87/803329387.db2.gz XNKVNKUCPPHQQX-JKSUJKDBSA-N 2 2 327.900 2.392 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086619710 810638939 /nfs/dbraw/zinc/63/89/39/810638939.db2.gz DFPGPPRJGLETSH-RBUKOAKNSA-N 2 2 338.455 2.123 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086619710 810638942 /nfs/dbraw/zinc/63/89/42/810638942.db2.gz DFPGPPRJGLETSH-RBUKOAKNSA-N 2 2 338.455 2.123 20 30 EEEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001114306874 810800501 /nfs/dbraw/zinc/80/05/01/810800501.db2.gz VMKMLYCYJIQSGE-PYQAKABTSA-N 2 2 342.487 2.163 20 30 EEEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001114306874 810800505 /nfs/dbraw/zinc/80/05/05/810800505.db2.gz VMKMLYCYJIQSGE-PYQAKABTSA-N 2 2 342.487 2.163 20 30 EEEDLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001437537775 1089982651 /nfs/dbraw/zinc/98/26/51/1089982651.db2.gz NGTLIFPTJHSDAG-UHFFFAOYSA-N 2 2 339.443 2.092 20 30 EEEDLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001437537775 1089982664 /nfs/dbraw/zinc/98/26/64/1089982664.db2.gz NGTLIFPTJHSDAG-UHFFFAOYSA-N 2 2 339.443 2.092 20 30 EEEDLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329812417 539784308 /nfs/dbraw/zinc/78/43/08/539784308.db2.gz DCCGTAZXGUZMPK-HUUCEWRRSA-N 2 2 333.480 2.369 20 30 EEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264106033 246068432 /nfs/dbraw/zinc/06/84/32/246068432.db2.gz NQOAPYNMKVFOGE-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264106033 246068439 /nfs/dbraw/zinc/06/84/39/246068439.db2.gz NQOAPYNMKVFOGE-LJQANCHMSA-N 2 2 340.471 2.077 20 30 EEEDLP N#Cc1ccc([C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C(N)=O)cc1 ZINC000115595005 152030345 /nfs/dbraw/zinc/03/03/45/152030345.db2.gz XBOSAPRDJUGONK-FQEVSTJZSA-N 2 2 348.450 2.339 20 30 EEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000090003478 159191407 /nfs/dbraw/zinc/19/14/07/159191407.db2.gz HNXAPQRNCWFMMG-CYBMUJFWSA-N 2 2 343.456 2.246 20 30 EEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000090003478 159191409 /nfs/dbraw/zinc/19/14/09/159191409.db2.gz HNXAPQRNCWFMMG-CYBMUJFWSA-N 2 2 343.456 2.246 20 30 EEEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C#N ZINC000533761304 270022701 /nfs/dbraw/zinc/02/27/01/270022701.db2.gz NTLDQQNWWVUGFE-QAPCUYQASA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C#N ZINC000533761304 270022702 /nfs/dbraw/zinc/02/27/02/270022702.db2.gz NTLDQQNWWVUGFE-QAPCUYQASA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C#N ZINC000533761304 270022703 /nfs/dbraw/zinc/02/27/03/270022703.db2.gz NTLDQQNWWVUGFE-QAPCUYQASA-N 2 2 327.428 2.261 20 30 EEEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000533761304 270022704 /nfs/dbraw/zinc/02/27/04/270022704.db2.gz NTLDQQNWWVUGFE-QAPCUYQASA-N 2 2 327.428 2.261 20 30 EEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684602 269008577 /nfs/dbraw/zinc/00/85/77/269008577.db2.gz WAHSFSHHHLHWDC-LPHOPBHVSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684602 269008580 /nfs/dbraw/zinc/00/85/80/269008580.db2.gz WAHSFSHHHLHWDC-LPHOPBHVSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684602 269008583 /nfs/dbraw/zinc/00/85/83/269008583.db2.gz WAHSFSHHHLHWDC-LPHOPBHVSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000272684602 269008585 /nfs/dbraw/zinc/00/85/85/269008585.db2.gz WAHSFSHHHLHWDC-LPHOPBHVSA-N 2 2 335.455 2.485 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000581615937 324290747 /nfs/dbraw/zinc/29/07/47/324290747.db2.gz XSXALFHDGBIVJR-HNNXBMFYSA-N 2 2 334.383 2.331 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000581615937 324290751 /nfs/dbraw/zinc/29/07/51/324290751.db2.gz XSXALFHDGBIVJR-HNNXBMFYSA-N 2 2 334.383 2.331 20 30 EEEDLP N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000060526890 462556204 /nfs/dbraw/zinc/55/62/04/462556204.db2.gz ZMMDPEPOHNVCIM-UHFFFAOYSA-N 2 2 344.422 2.461 20 30 EEEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000114455791 462648905 /nfs/dbraw/zinc/64/89/05/462648905.db2.gz PNLAGQFBRFCSIN-UHFFFAOYSA-N 2 2 345.462 2.250 20 30 EEEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000114455791 462648910 /nfs/dbraw/zinc/64/89/10/462648910.db2.gz PNLAGQFBRFCSIN-UHFFFAOYSA-N 2 2 345.462 2.250 20 30 EEEDLP N#CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133467489 462934258 /nfs/dbraw/zinc/93/42/58/462934258.db2.gz LHMNLRKABJFXER-GOSISDBHSA-N 2 2 327.476 2.219 20 30 EEEDLP N#CCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133467489 462934266 /nfs/dbraw/zinc/93/42/66/462934266.db2.gz LHMNLRKABJFXER-GOSISDBHSA-N 2 2 327.476 2.219 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080973696 463376674 /nfs/dbraw/zinc/37/66/74/463376674.db2.gz LVQUGBMGTPTWLC-DOTOQJQBSA-N 2 2 335.411 2.266 20 30 EEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080973696 463376676 /nfs/dbraw/zinc/37/66/76/463376676.db2.gz LVQUGBMGTPTWLC-DOTOQJQBSA-N 2 2 335.411 2.266 20 30 EEEDLP C=CC[NH+]1CCC(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000171714878 463912508 /nfs/dbraw/zinc/91/25/08/463912508.db2.gz MQPRDPXTUMPEFR-UHFFFAOYSA-N 2 2 342.487 2.373 20 30 EEEDLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3C[NH+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894971 465465879 /nfs/dbraw/zinc/46/58/79/465465879.db2.gz KIPGXEZGXVDXGX-DAYGRLMNSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3C[NH+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894971 465465886 /nfs/dbraw/zinc/46/58/86/465465886.db2.gz KIPGXEZGXVDXGX-DAYGRLMNSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894971 465465892 /nfs/dbraw/zinc/46/58/92/465465892.db2.gz KIPGXEZGXVDXGX-DAYGRLMNSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2)C[C@H](C)O1 ZINC000329894971 465465898 /nfs/dbraw/zinc/46/58/98/465465898.db2.gz KIPGXEZGXVDXGX-DAYGRLMNSA-N 2 2 347.459 2.214 20 30 EEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265520332 464589898 /nfs/dbraw/zinc/58/98/98/464589898.db2.gz SMLNGHGKMXPDOM-CQSZACIVSA-N 2 2 329.448 2.320 20 30 EEEDLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000190730923 464710591 /nfs/dbraw/zinc/71/05/91/464710591.db2.gz HIMOMPXIESBJGB-UHFFFAOYSA-N 2 2 337.471 2.199 20 30 EEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361054945 465733202 /nfs/dbraw/zinc/73/32/02/465733202.db2.gz DKMSFZWLAZKHMZ-KRWDZBQOSA-N 2 2 345.491 2.383 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000366667132 465864005 /nfs/dbraw/zinc/86/40/05/465864005.db2.gz VQKUBGWWVLLHDC-INIZCTEOSA-N 2 2 345.491 2.409 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000365627869 466886474 /nfs/dbraw/zinc/88/64/74/466886474.db2.gz KLRDTANIFAVVPN-MRXNPFEDSA-N 2 2 337.427 2.500 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000365627869 466886479 /nfs/dbraw/zinc/88/64/79/466886479.db2.gz KLRDTANIFAVVPN-MRXNPFEDSA-N 2 2 337.427 2.500 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000575377538 468140518 /nfs/dbraw/zinc/14/05/18/468140518.db2.gz VFHQNBLKVYZQMU-UHOSZYNNSA-N 2 2 332.488 2.473 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000575377538 468140521 /nfs/dbraw/zinc/14/05/21/468140521.db2.gz VFHQNBLKVYZQMU-UHOSZYNNSA-N 2 2 332.488 2.473 20 30 EEEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566120725 468144127 /nfs/dbraw/zinc/14/41/27/468144127.db2.gz PHUDZIKYFNDTRK-PIKOESSRSA-N 2 2 332.488 2.234 20 30 EEEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566120725 468144130 /nfs/dbraw/zinc/14/41/30/468144130.db2.gz PHUDZIKYFNDTRK-PIKOESSRSA-N 2 2 332.488 2.234 20 30 EEEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000612489206 469479253 /nfs/dbraw/zinc/47/92/53/469479253.db2.gz NXHPTOQIODEMFH-UCLAIMLFSA-N 2 2 340.471 2.327 20 30 EEEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489206 469479255 /nfs/dbraw/zinc/47/92/55/469479255.db2.gz NXHPTOQIODEMFH-UCLAIMLFSA-N 2 2 340.471 2.327 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000160052850 529151496 /nfs/dbraw/zinc/15/14/96/529151496.db2.gz JPODWLBEEIMSSB-LJQANCHMSA-N 2 2 331.891 2.403 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000160052850 529151497 /nfs/dbraw/zinc/15/14/97/529151497.db2.gz JPODWLBEEIMSSB-LJQANCHMSA-N 2 2 331.891 2.403 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000765791054 577507170 /nfs/dbraw/zinc/50/71/70/577507170.db2.gz FATOCMAFDWUHCG-RDJZCZTQSA-N 2 2 331.485 2.051 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000765791054 577507171 /nfs/dbraw/zinc/50/71/71/577507171.db2.gz FATOCMAFDWUHCG-RDJZCZTQSA-N 2 2 331.485 2.051 20 30 EEEDLP CCN(CC)c1ccc(C=[NH+]NC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(O)c1 ZINC000753937154 577796823 /nfs/dbraw/zinc/79/68/23/577796823.db2.gz CLDOZVUDPYYVGQ-IYBDPMFKSA-N 2 2 329.448 2.432 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000748815191 577967267 /nfs/dbraw/zinc/96/72/67/577967267.db2.gz KXWPQOCTKQHKJL-KRWDZBQOSA-N 2 2 333.863 2.158 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000969319081 674834976 /nfs/dbraw/zinc/83/49/76/674834976.db2.gz LPWZHFIVHGFBIZ-QGZVFWFLSA-N 2 2 345.406 2.210 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001021638400 676294053 /nfs/dbraw/zinc/29/40/53/676294053.db2.gz DSRGNSMAPGURHC-QUCCMNQESA-N 2 2 348.450 2.432 20 30 EEEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022691886 678237528 /nfs/dbraw/zinc/23/75/28/678237528.db2.gz BHWIQYKRUAQHOB-IXDOHACOSA-N 2 2 349.438 2.138 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001028605280 681363835 /nfs/dbraw/zinc/36/38/35/681363835.db2.gz QDFVVGSCIOVZFQ-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001028605280 681363839 /nfs/dbraw/zinc/36/38/39/681363839.db2.gz QDFVVGSCIOVZFQ-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001028605280 681363844 /nfs/dbraw/zinc/36/38/44/681363844.db2.gz QDFVVGSCIOVZFQ-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001028605280 681363848 /nfs/dbraw/zinc/36/38/48/681363848.db2.gz QDFVVGSCIOVZFQ-RCCFBDPRSA-N 2 2 349.438 2.023 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641538 681491777 /nfs/dbraw/zinc/49/17/77/681491777.db2.gz HKOLFSNWNFOEML-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641538 681491781 /nfs/dbraw/zinc/49/17/81/681491781.db2.gz HKOLFSNWNFOEML-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641538 681491782 /nfs/dbraw/zinc/49/17/82/681491782.db2.gz HKOLFSNWNFOEML-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641538 681491786 /nfs/dbraw/zinc/49/17/86/681491786.db2.gz HKOLFSNWNFOEML-HZPDHXFCSA-N 2 2 330.476 2.227 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571445 681676260 /nfs/dbraw/zinc/67/62/60/681676260.db2.gz MZLXKMVAAIAJDQ-SMOSDQRPSA-N 2 2 342.487 2.270 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571445 681676264 /nfs/dbraw/zinc/67/62/64/681676264.db2.gz MZLXKMVAAIAJDQ-SMOSDQRPSA-N 2 2 342.487 2.270 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867401 685642813 /nfs/dbraw/zinc/64/28/13/685642813.db2.gz FLXVATDKVGJQSS-CVEARBPZSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974867401 685642815 /nfs/dbraw/zinc/64/28/15/685642815.db2.gz FLXVATDKVGJQSS-CVEARBPZSA-N 2 2 339.911 2.440 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000977423877 692615979 /nfs/dbraw/zinc/61/59/79/692615979.db2.gz VTOWXVXCZWNILE-QGZVFWFLSA-N 2 2 339.443 2.284 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000977423877 692615980 /nfs/dbraw/zinc/61/59/80/692615980.db2.gz VTOWXVXCZWNILE-QGZVFWFLSA-N 2 2 339.443 2.284 20 30 EEEDLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001266948344 1177872908 /nfs/dbraw/zinc/87/29/08/1177872908.db2.gz OGYXOOKJQUHWSD-CYBMUJFWSA-N 2 2 333.395 2.343 20 30 EEEDLP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001481899828 1182913331 /nfs/dbraw/zinc/91/33/31/1182913331.db2.gz HIYYQPVVDLLYCR-CQSZACIVSA-N 2 2 336.867 2.217 20 30 EEEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097469 1188712439 /nfs/dbraw/zinc/71/24/39/1188712439.db2.gz KDSNENAPJOAOBZ-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097469 1188712443 /nfs/dbraw/zinc/71/24/43/1188712443.db2.gz KDSNENAPJOAOBZ-PKOBYXMFSA-N 2 2 334.423 2.042 20 30 EEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005609070 1196545844 /nfs/dbraw/zinc/54/58/44/1196545844.db2.gz AHIDIFUKWXMXQW-INIZCTEOSA-N 2 2 330.476 2.335 20 30 EEEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306806 1224591700 /nfs/dbraw/zinc/59/17/00/1224591700.db2.gz RHRGBHBHMTYKTM-KDURUIRLSA-N 2 2 325.456 2.060 20 30 EEEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306806 1224591705 /nfs/dbraw/zinc/59/17/05/1224591705.db2.gz RHRGBHBHMTYKTM-KDURUIRLSA-N 2 2 325.456 2.060 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132390 1204213118 /nfs/dbraw/zinc/21/31/18/1204213118.db2.gz FAFBHRUVOIGVLZ-CVEARBPZSA-N 2 2 349.438 2.491 20 30 EEEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132390 1204213122 /nfs/dbraw/zinc/21/31/22/1204213122.db2.gz FAFBHRUVOIGVLZ-CVEARBPZSA-N 2 2 349.438 2.491 20 30 EEEDLP Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932575858 1207629506 /nfs/dbraw/zinc/62/95/06/1207629506.db2.gz IOXZNHMUPZDIRZ-GOSISDBHSA-N 2 2 340.471 2.107 20 30 EEEDLP Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932575858 1207629508 /nfs/dbraw/zinc/62/95/08/1207629508.db2.gz IOXZNHMUPZDIRZ-GOSISDBHSA-N 2 2 340.471 2.107 20 30 EEEDLP C=CCCCC(=O)NCC[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC001111320349 1210382374 /nfs/dbraw/zinc/38/23/74/1210382374.db2.gz IGKTXMRBGIZNKX-UHFFFAOYSA-N 2 2 345.491 2.442 20 30 EEEDLP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303768929 1213903416 /nfs/dbraw/zinc/90/34/16/1213903416.db2.gz AQOWCDFKRZZMGE-MSOLQXFVSA-N 2 2 339.572 2.378 20 30 EEEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960277516 1216466771 /nfs/dbraw/zinc/46/67/71/1216466771.db2.gz DNUBCKXVUYCLBD-SZVBFZGTSA-N 2 2 336.439 2.003 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961455084 1217195050 /nfs/dbraw/zinc/19/50/50/1217195050.db2.gz KHRPNAACSWZGCX-SFHVURJKSA-N 2 2 330.476 2.410 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961455084 1217195053 /nfs/dbraw/zinc/19/50/53/1217195053.db2.gz KHRPNAACSWZGCX-SFHVURJKSA-N 2 2 330.476 2.410 20 30 EEEDLP C=CC[NH+]1CCCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000968861228 1221629629 /nfs/dbraw/zinc/62/96/29/1221629629.db2.gz KEUOVWPNEHISKH-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC000968861228 1221629633 /nfs/dbraw/zinc/62/96/33/1221629633.db2.gz KEUOVWPNEHISKH-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC000968861228 1221629638 /nfs/dbraw/zinc/62/96/38/1221629638.db2.gz KEUOVWPNEHISKH-YJBOKZPZSA-N 2 2 345.491 2.337 20 30 EEEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968926060 1221677794 /nfs/dbraw/zinc/67/77/94/1221677794.db2.gz UAYUVJQJFFSNLT-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968926060 1221677795 /nfs/dbraw/zinc/67/77/95/1221677795.db2.gz UAYUVJQJFFSNLT-SJORKVTESA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539035 1222915752 /nfs/dbraw/zinc/91/57/52/1222915752.db2.gz JZEBCGFYEKVBIA-OAHLLOKOSA-N 2 2 332.448 2.041 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001008539035 1222915757 /nfs/dbraw/zinc/91/57/57/1222915757.db2.gz JZEBCGFYEKVBIA-OAHLLOKOSA-N 2 2 332.448 2.041 20 30 EEEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001016695787 1226789882 /nfs/dbraw/zinc/78/98/82/1226789882.db2.gz SSYBOEJLTDFZPW-IRXDYDNUSA-N 2 2 342.487 2.382 20 30 EEEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001016933285 1226980163 /nfs/dbraw/zinc/98/01/63/1226980163.db2.gz IGBGDHMMNVYLOP-INIZCTEOSA-N 2 2 348.878 2.484 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039175074 1230401321 /nfs/dbraw/zinc/40/13/21/1230401321.db2.gz LUYXNLRBFCKCAU-INIZCTEOSA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039175074 1230401324 /nfs/dbraw/zinc/40/13/24/1230401324.db2.gz LUYXNLRBFCKCAU-INIZCTEOSA-N 2 2 336.867 2.196 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377310 1230562790 /nfs/dbraw/zinc/56/27/90/1230562790.db2.gz RAUJYWWZAWXMMB-ZACQAIPSSA-N 2 2 328.460 2.095 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377310 1230562794 /nfs/dbraw/zinc/56/27/94/1230562794.db2.gz RAUJYWWZAWXMMB-ZACQAIPSSA-N 2 2 328.460 2.095 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001039379854 1230564759 /nfs/dbraw/zinc/56/47/59/1230564759.db2.gz ASPSXITYONLXDX-SJORKVTESA-N 2 2 328.460 2.013 20 30 EEEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001039379854 1230564762 /nfs/dbraw/zinc/56/47/62/1230564762.db2.gz ASPSXITYONLXDX-SJORKVTESA-N 2 2 328.460 2.013 20 30 EEEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039383158 1230568004 /nfs/dbraw/zinc/56/80/04/1230568004.db2.gz YHCZMEDGWSWQPY-CVEARBPZSA-N 2 2 331.485 2.122 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039383158 1230568009 /nfs/dbraw/zinc/56/80/09/1230568009.db2.gz YHCZMEDGWSWQPY-CVEARBPZSA-N 2 2 331.485 2.122 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001040264021 1231140441 /nfs/dbraw/zinc/14/04/41/1231140441.db2.gz KSXXCDDZTRGYDW-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001040264021 1231140442 /nfs/dbraw/zinc/14/04/42/1231140442.db2.gz KSXXCDDZTRGYDW-XLIONFOSSA-N 2 2 342.487 2.336 20 30 EEEDLP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001040846106 1231386465 /nfs/dbraw/zinc/38/64/65/1231386465.db2.gz MIMMVCZYDMUBJR-INIZCTEOSA-N 2 2 340.471 2.167 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972644 1234257373 /nfs/dbraw/zinc/25/73/73/1234257373.db2.gz GIPFRRBVXXZRMA-YLJYHZDGSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972644 1234257375 /nfs/dbraw/zinc/25/73/75/1234257375.db2.gz GIPFRRBVXXZRMA-YLJYHZDGSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972644 1234257378 /nfs/dbraw/zinc/25/73/78/1234257378.db2.gz GIPFRRBVXXZRMA-YLJYHZDGSA-N 2 2 342.487 2.316 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972644 1234257380 /nfs/dbraw/zinc/25/73/80/1234257380.db2.gz GIPFRRBVXXZRMA-YLJYHZDGSA-N 2 2 342.487 2.316 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046743003 1235137564 /nfs/dbraw/zinc/13/75/64/1235137564.db2.gz VTTLANGXSHGGPM-SFHVURJKSA-N 2 2 325.416 2.038 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046743003 1235137566 /nfs/dbraw/zinc/13/75/66/1235137566.db2.gz VTTLANGXSHGGPM-SFHVURJKSA-N 2 2 325.416 2.038 20 30 EEEDLP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047257284 1235761007 /nfs/dbraw/zinc/76/10/07/1235761007.db2.gz JGCOMJLRQRQFKE-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047257284 1235761013 /nfs/dbraw/zinc/76/10/13/1235761013.db2.gz JGCOMJLRQRQFKE-AEFFLSMTSA-N 2 2 342.487 2.172 20 30 EEEDLP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001047261069 1235768689 /nfs/dbraw/zinc/76/86/89/1235768689.db2.gz CCATXWBBBLMHEL-KRWDZBQOSA-N 2 2 330.476 2.479 20 30 EEEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001047265766 1235778429 /nfs/dbraw/zinc/77/84/29/1235778429.db2.gz WCMFMOBUGAEHFE-KRWDZBQOSA-N 2 2 330.476 2.397 20 30 EEEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049628314 1241695448 /nfs/dbraw/zinc/69/54/48/1241695448.db2.gz XCBNZWKKPIYBOZ-RTBURBONSA-N 2 2 334.423 2.184 20 30 EEEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049628314 1241695458 /nfs/dbraw/zinc/69/54/58/1241695458.db2.gz XCBNZWKKPIYBOZ-RTBURBONSA-N 2 2 334.423 2.184 20 30 EEEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367773 1245723440 /nfs/dbraw/zinc/72/34/40/1245723440.db2.gz KLTIENDDPRLCLK-VIPLHTEESA-N 2 2 342.487 2.270 20 30 EEEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367773 1245723448 /nfs/dbraw/zinc/72/34/48/1245723448.db2.gz KLTIENDDPRLCLK-VIPLHTEESA-N 2 2 342.487 2.270 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053035818 1245733045 /nfs/dbraw/zinc/73/30/45/1245733045.db2.gz FOYKFRNBJKCTAY-RTBURBONSA-N 2 2 342.487 2.247 20 30 EEEDLP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053035818 1245733054 /nfs/dbraw/zinc/73/30/54/1245733054.db2.gz FOYKFRNBJKCTAY-RTBURBONSA-N 2 2 342.487 2.247 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088564 1245868686 /nfs/dbraw/zinc/86/86/86/1245868686.db2.gz XNENHALOBHXWAF-HKUYNNGSSA-N 2 2 342.487 2.459 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053088564 1245868691 /nfs/dbraw/zinc/86/86/91/1245868691.db2.gz XNENHALOBHXWAF-HKUYNNGSSA-N 2 2 342.487 2.459 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088564 1245868694 /nfs/dbraw/zinc/86/86/94/1245868694.db2.gz XNENHALOBHXWAF-HKUYNNGSSA-N 2 2 342.487 2.459 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053088564 1245868698 /nfs/dbraw/zinc/86/86/98/1245868698.db2.gz XNENHALOBHXWAF-HKUYNNGSSA-N 2 2 342.487 2.459 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487990 1245893933 /nfs/dbraw/zinc/89/39/33/1245893933.db2.gz FSXLZYGYLVNVFW-MJGOQNOKSA-N 2 2 330.476 2.410 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487990 1245893941 /nfs/dbraw/zinc/89/39/41/1245893941.db2.gz FSXLZYGYLVNVFW-MJGOQNOKSA-N 2 2 330.476 2.410 20 30 EEEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001101550289 1245954627 /nfs/dbraw/zinc/95/46/27/1245954627.db2.gz AMNXJRHNICNDJL-UHFFFAOYSA-N 2 2 343.471 2.120 20 30 EEEDLP CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054045707 1247220424 /nfs/dbraw/zinc/22/04/24/1247220424.db2.gz WIXJRWRQYITPOJ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054045707 1247220434 /nfs/dbraw/zinc/22/04/34/1247220434.db2.gz WIXJRWRQYITPOJ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP CC#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001054045707 1247220446 /nfs/dbraw/zinc/22/04/46/1247220446.db2.gz WIXJRWRQYITPOJ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP CC#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001054045707 1247220454 /nfs/dbraw/zinc/22/04/54/1247220454.db2.gz WIXJRWRQYITPOJ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054169922 1247592245 /nfs/dbraw/zinc/59/22/45/1247592245.db2.gz APGUOLGWIWLSNI-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054169922 1247592248 /nfs/dbraw/zinc/59/22/48/1247592248.db2.gz APGUOLGWIWLSNI-IBGZPJMESA-N 2 2 330.476 2.243 20 30 EEEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072982789 1255546648 /nfs/dbraw/zinc/54/66/48/1255546648.db2.gz AKCJANIOWBGEQX-HNNXBMFYSA-N 2 2 348.878 2.041 20 30 EEEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072982789 1255546653 /nfs/dbraw/zinc/54/66/53/1255546653.db2.gz AKCJANIOWBGEQX-HNNXBMFYSA-N 2 2 348.878 2.041 20 30 EEEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185595629 1278712218 /nfs/dbraw/zinc/71/22/18/1278712218.db2.gz VLGPBTSXXCUXIY-DZGCQCFKSA-N 2 2 338.883 2.179 20 30 EEEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194314603 1282972024 /nfs/dbraw/zinc/97/20/24/1282972024.db2.gz LJXHQJSNJLYEQA-QZTJIDSGSA-N 2 2 330.476 2.183 20 30 EEEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194314603 1282972028 /nfs/dbraw/zinc/97/20/28/1282972028.db2.gz LJXHQJSNJLYEQA-QZTJIDSGSA-N 2 2 330.476 2.183 20 30 EEEDLP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001198274330 1285085935 /nfs/dbraw/zinc/08/59/35/1285085935.db2.gz FQDJVZLABDYQOX-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001198274330 1285085941 /nfs/dbraw/zinc/08/59/41/1285085941.db2.gz FQDJVZLABDYQOX-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001198274330 1285085950 /nfs/dbraw/zinc/08/59/50/1285085950.db2.gz FQDJVZLABDYQOX-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001198274330 1285085956 /nfs/dbraw/zinc/08/59/56/1285085956.db2.gz FQDJVZLABDYQOX-UHFFFAOYSA-N 2 2 346.450 2.072 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001110678942 1292660997 /nfs/dbraw/zinc/66/09/97/1292660997.db2.gz JVUUIOXIERMZCJ-YRXWBPOGSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110678942 1292661004 /nfs/dbraw/zinc/66/10/04/1292661004.db2.gz JVUUIOXIERMZCJ-YRXWBPOGSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110678942 1292661013 /nfs/dbraw/zinc/66/10/13/1292661013.db2.gz JVUUIOXIERMZCJ-YRXWBPOGSA-N 2 2 331.504 2.242 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110678942 1292661025 /nfs/dbraw/zinc/66/10/25/1292661025.db2.gz JVUUIOXIERMZCJ-YRXWBPOGSA-N 2 2 331.504 2.242 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000444 1295098222 /nfs/dbraw/zinc/09/82/22/1295098222.db2.gz XDDNHVIDZXTEDP-UONOGXRCSA-N 2 2 336.867 2.483 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000444 1295098228 /nfs/dbraw/zinc/09/82/28/1295098228.db2.gz XDDNHVIDZXTEDP-UONOGXRCSA-N 2 2 336.867 2.483 20 30 EEEDLP C#CCC[N@H+]1CCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001073101546 1296525565 /nfs/dbraw/zinc/52/55/65/1296525565.db2.gz QMVXKOMZMQVODW-UHFFFAOYSA-N 2 2 334.423 2.044 20 30 EEEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001073101546 1296525577 /nfs/dbraw/zinc/52/55/77/1296525577.db2.gz QMVXKOMZMQVODW-UHFFFAOYSA-N 2 2 334.423 2.044 20 30 EEEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001221807715 1299103952 /nfs/dbraw/zinc/10/39/52/1299103952.db2.gz YZIYBNNSLVIDMX-BFYDXBDKSA-N 2 2 328.460 2.329 20 30 EEEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001221807715 1299103959 /nfs/dbraw/zinc/10/39/59/1299103959.db2.gz YZIYBNNSLVIDMX-BFYDXBDKSA-N 2 2 328.460 2.329 20 30 EEEDLP N#Cc1ccnc(-c2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)cc2)c1 ZINC001222497404 1299633660 /nfs/dbraw/zinc/63/36/60/1299633660.db2.gz HXODJLDCHTZEPD-FPOVZHCZSA-N 2 2 347.466 2.146 20 30 EEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163106 1302360809 /nfs/dbraw/zinc/36/08/09/1302360809.db2.gz XIKFBMDCDPORTO-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163106 1302360811 /nfs/dbraw/zinc/36/08/11/1302360811.db2.gz XIKFBMDCDPORTO-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163106 1302360825 /nfs/dbraw/zinc/36/08/25/1302360825.db2.gz XIKFBMDCDPORTO-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163106 1302360833 /nfs/dbraw/zinc/36/08/33/1302360833.db2.gz XIKFBMDCDPORTO-VNQPRFMTSA-N 2 2 330.476 2.083 20 30 EEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001233082350 1304356177 /nfs/dbraw/zinc/35/61/77/1304356177.db2.gz JMOLALPPLXKMGO-UHFFFAOYSA-N 2 2 340.471 2.028 20 30 EEEDLP CN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1C#N ZINC001233095769 1304359721 /nfs/dbraw/zinc/35/97/21/1304359721.db2.gz AASVOPPZPDBXPS-UHFFFAOYSA-N 2 2 339.418 2.481 20 30 EEEDLP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632058 1305305617 /nfs/dbraw/zinc/30/56/17/1305305617.db2.gz DYCKGGHHFQNMJD-QZTJIDSGSA-N 2 2 348.491 2.206 20 30 EEEDLP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632058 1305305621 /nfs/dbraw/zinc/30/56/21/1305305621.db2.gz DYCKGGHHFQNMJD-QZTJIDSGSA-N 2 2 348.491 2.206 20 30 EEEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725074 1305673875 /nfs/dbraw/zinc/67/38/75/1305673875.db2.gz IVNRBZKRKCRWIE-OAHLLOKOSA-N 2 2 328.460 2.262 20 30 EEEDLP C[NH+](C)C1(CNc2ccc(C3(C#N)CCC3)cn2)CC[NH+](C)CC1 ZINC001156182561 1317911187 /nfs/dbraw/zinc/91/11/87/1317911187.db2.gz YEVKXRSSSIDVRJ-UHFFFAOYSA-N 2 2 327.476 2.465 20 30 EEEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256966620 1318906164 /nfs/dbraw/zinc/90/61/64/1318906164.db2.gz LRXNTGKBIFREIJ-ACBHZAAOSA-N 2 2 335.492 2.130 20 30 EEEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256966620 1318906167 /nfs/dbraw/zinc/90/61/67/1318906167.db2.gz LRXNTGKBIFREIJ-ACBHZAAOSA-N 2 2 335.492 2.130 20 30 EEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256966620 1318906168 /nfs/dbraw/zinc/90/61/68/1318906168.db2.gz LRXNTGKBIFREIJ-ACBHZAAOSA-N 2 2 335.492 2.130 20 30 EEEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256966620 1318906170 /nfs/dbraw/zinc/90/61/70/1318906170.db2.gz LRXNTGKBIFREIJ-ACBHZAAOSA-N 2 2 335.492 2.130 20 30 EEEDLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CC#Cc2ccccc2)c[nH+]1 ZINC001160820656 1320279591 /nfs/dbraw/zinc/27/95/91/1320279591.db2.gz QLRNDIZQXQFUOJ-UHFFFAOYSA-N 2 2 338.455 2.074 20 30 EEEDLP C=CCC[NH2+]CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001206868801 1323646915 /nfs/dbraw/zinc/64/69/15/1323646915.db2.gz DZXIKICJRZLUEM-UHFFFAOYSA-N 2 2 339.443 2.285 20 30 EEEDLP Cn1cc(CN2CC3(C2)C[NH+](Cc2c[nH]c4cc[nH+]cc24)C3)cc1C#N ZINC001279319957 1323873793 /nfs/dbraw/zinc/87/37/93/1323873793.db2.gz BVYVTHKMTPDXSD-UHFFFAOYSA-N 2 2 346.438 2.091 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207582949 1324039577 /nfs/dbraw/zinc/03/95/77/1324039577.db2.gz GRMWMFLSXGAYAV-KURKYZTESA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207582949 1324039582 /nfs/dbraw/zinc/03/95/82/1324039582.db2.gz GRMWMFLSXGAYAV-KURKYZTESA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001207582949 1324039588 /nfs/dbraw/zinc/03/95/88/1324039588.db2.gz GRMWMFLSXGAYAV-KURKYZTESA-N 2 2 333.520 2.347 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001207582949 1324039595 /nfs/dbraw/zinc/03/95/95/1324039595.db2.gz GRMWMFLSXGAYAV-KURKYZTESA-N 2 2 333.520 2.347 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451130 1324503969 /nfs/dbraw/zinc/50/39/69/1324503969.db2.gz ROQGXJBXGXATLT-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451130 1324503974 /nfs/dbraw/zinc/50/39/74/1324503974.db2.gz ROQGXJBXGXATLT-HOTGVXAUSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001210438116 1325284730 /nfs/dbraw/zinc/28/47/30/1325284730.db2.gz OCVAWGVRPTWRJD-MRXNPFEDSA-N 2 2 339.443 2.428 20 30 EEEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200653242 1338503175 /nfs/dbraw/zinc/50/31/75/1338503175.db2.gz HDOFVMVFMSYTKJ-GOSISDBHSA-N 2 2 348.491 2.296 20 30 EEEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200653242 1338503179 /nfs/dbraw/zinc/50/31/79/1338503179.db2.gz HDOFVMVFMSYTKJ-GOSISDBHSA-N 2 2 348.491 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001506618984 1342285485 /nfs/dbraw/zinc/28/54/85/1342285485.db2.gz HPEGHBLIXQBAGS-AWEZNQCLSA-N 2 2 327.900 2.440 20 30 EEEDLP 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ZINC000782338797 1371282278 /nfs/dbraw/zinc/28/22/78/1371282278.db2.gz ZRQLWRFADYAZBF-UHFFFAOYSA-N 2 2 343.427 2.473 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001140543745 1372599096 /nfs/dbraw/zinc/59/90/96/1372599096.db2.gz SCIPZFWHMPIUTB-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001140543745 1372599102 /nfs/dbraw/zinc/59/91/02/1372599102.db2.gz SCIPZFWHMPIUTB-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001140543745 1372599105 /nfs/dbraw/zinc/59/91/05/1372599105.db2.gz SCIPZFWHMPIUTB-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001140543745 1372599109 /nfs/dbraw/zinc/59/91/09/1372599109.db2.gz SCIPZFWHMPIUTB-MOPGFXCFSA-N 2 2 333.439 2.302 20 30 EEEDLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)s1 ZINC001401142282 1396977288 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/nfs/dbraw/zinc/49/89/45/761498945.db2.gz ZKPUTJNETRHGCL-FHLIZLRMSA-N 2 2 336.439 2.415 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089419109 768944908 /nfs/dbraw/zinc/94/49/08/768944908.db2.gz CGHHCFDBOTYEGS-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089419109 768944914 /nfs/dbraw/zinc/94/49/14/768944914.db2.gz CGHHCFDBOTYEGS-IRXDYDNUSA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420459 768952331 /nfs/dbraw/zinc/95/23/31/768952331.db2.gz MRFMQCRJCJXFFJ-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420459 768952341 /nfs/dbraw/zinc/95/23/41/768952341.db2.gz MRFMQCRJCJXFFJ-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424705 769015504 /nfs/dbraw/zinc/01/55/04/769015504.db2.gz XPAPHTJDIRSCTC-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424705 769015515 /nfs/dbraw/zinc/01/55/15/769015515.db2.gz XPAPHTJDIRSCTC-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089659312 774033664 /nfs/dbraw/zinc/03/36/64/774033664.db2.gz XHYCWQHUZLMDRW-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089659312 774033667 /nfs/dbraw/zinc/03/36/67/774033667.db2.gz XHYCWQHUZLMDRW-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001108097623 783148514 /nfs/dbraw/zinc/14/85/14/783148514.db2.gz MRTCTVQFSJXCCA-IBGZPJMESA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001108097623 783148518 /nfs/dbraw/zinc/14/85/18/783148518.db2.gz MRTCTVQFSJXCCA-IBGZPJMESA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001108097623 783148524 /nfs/dbraw/zinc/14/85/24/783148524.db2.gz MRTCTVQFSJXCCA-IBGZPJMESA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001108097623 783148529 /nfs/dbraw/zinc/14/85/29/783148529.db2.gz MRTCTVQFSJXCCA-IBGZPJMESA-N 2 2 337.508 2.034 20 30 EEEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693877 774419102 /nfs/dbraw/zinc/41/91/02/774419102.db2.gz QNWQWRFFPLNZOB-HZPDHXFCSA-N 2 2 342.487 2.460 20 30 EEEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693877 774419112 /nfs/dbraw/zinc/41/91/12/774419112.db2.gz QNWQWRFFPLNZOB-HZPDHXFCSA-N 2 2 342.487 2.460 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089694977 774443107 /nfs/dbraw/zinc/44/31/07/774443107.db2.gz ZZRJMCBZDRVLGD-JKSUJKDBSA-N 2 2 342.487 2.460 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 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AKBQESOXTOPWCC-QWHCGFSZSA-N 2 2 343.456 2.103 20 30 EEEDLP C#CC[N@H+]1CCCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000981920427 778534323 /nfs/dbraw/zinc/53/43/23/778534323.db2.gz IVNMSDLXODUHPY-UHFFFAOYSA-N 2 2 334.423 2.044 20 30 EEEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000981920427 778534325 /nfs/dbraw/zinc/53/43/25/778534325.db2.gz IVNMSDLXODUHPY-UHFFFAOYSA-N 2 2 334.423 2.044 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001088336520 783553363 /nfs/dbraw/zinc/55/33/63/783553363.db2.gz GMAVBLBMNLVVFK-IAGOWNOFSA-N 2 2 330.476 2.382 20 30 EEEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135852170 784603906 /nfs/dbraw/zinc/60/39/06/784603906.db2.gz BVLRISQGXQSHCS-GJZGRUSLSA-N 2 2 327.432 2.330 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001136030853 785011843 /nfs/dbraw/zinc/01/18/43/785011843.db2.gz CVMRZGHGYNARNO-ZIAGYGMSSA-N 2 2 339.443 2.205 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998124448 792023328 /nfs/dbraw/zinc/02/33/28/792023328.db2.gz FZLAHMGFYUODTE-RCCFBDPRSA-N 2 2 342.487 2.250 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998124448 792023337 /nfs/dbraw/zinc/02/33/37/792023337.db2.gz FZLAHMGFYUODTE-RCCFBDPRSA-N 2 2 342.487 2.250 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998265367 792385339 /nfs/dbraw/zinc/38/53/39/792385339.db2.gz HJWRHNZMBZPXFE-KBPBESRZSA-N 2 2 344.381 2.287 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998265367 792385344 /nfs/dbraw/zinc/38/53/44/792385344.db2.gz HJWRHNZMBZPXFE-KBPBESRZSA-N 2 2 344.381 2.287 20 30 EEEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992238595 793367974 /nfs/dbraw/zinc/36/79/74/793367974.db2.gz GCGUTQWQGKGFNQ-FXRXJOCMSA-N 2 2 328.460 2.213 20 30 EEEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992238595 793367986 /nfs/dbraw/zinc/36/79/86/793367986.db2.gz GCGUTQWQGKGFNQ-FXRXJOCMSA-N 2 2 328.460 2.213 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001079878076 795311782 /nfs/dbraw/zinc/31/17/82/795311782.db2.gz FEEAJMCKZXECDX-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001079878076 795311787 /nfs/dbraw/zinc/31/17/87/795311787.db2.gz FEEAJMCKZXECDX-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@H]1C ZINC001079878076 795311791 /nfs/dbraw/zinc/31/17/91/795311791.db2.gz FEEAJMCKZXECDX-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@H]1C ZINC001079878076 795311799 /nfs/dbraw/zinc/31/17/99/795311799.db2.gz FEEAJMCKZXECDX-RLLQIKCJSA-N 2 2 339.483 2.029 20 30 EEEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081213787 796673391 /nfs/dbraw/zinc/67/33/91/796673391.db2.gz ONWLYWPWHSUMGF-DLBZAZTESA-N 2 2 338.455 2.458 20 30 EEEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078766516 796957477 /nfs/dbraw/zinc/95/74/77/796957477.db2.gz FFMDVTVPKWLDIC-ROUUACIJSA-N 2 2 334.423 2.136 20 30 EEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994206457 797387264 /nfs/dbraw/zinc/38/72/64/797387264.db2.gz CLEZCDFNAQYWIM-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994206457 797387271 /nfs/dbraw/zinc/38/72/71/797387271.db2.gz CLEZCDFNAQYWIM-ZBFHGGJFSA-N 2 2 325.416 2.036 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869909 797572860 /nfs/dbraw/zinc/57/28/60/797572860.db2.gz RBYGECYAQUAEPR-HZPDHXFCSA-N 2 2 339.443 2.141 20 30 EEEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001085345511 800385870 /nfs/dbraw/zinc/38/58/70/800385870.db2.gz BSLWSFWHVUFDLY-QZTJIDSGSA-N 2 2 337.427 2.041 20 30 EEEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181951486 800972478 /nfs/dbraw/zinc/97/24/78/800972478.db2.gz AYLIWNGIEHFBCJ-GPMSIDNRSA-N 2 2 330.476 2.096 20 30 EEEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001151352017 801713639 /nfs/dbraw/zinc/71/36/39/801713639.db2.gz PEMPSQGVFHKIIH-MRXNPFEDSA-N 2 2 348.491 2.152 20 30 EEEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001151352017 801713642 /nfs/dbraw/zinc/71/36/42/801713642.db2.gz PEMPSQGVFHKIIH-MRXNPFEDSA-N 2 2 348.491 2.152 20 30 EEEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001184437337 802018059 /nfs/dbraw/zinc/01/80/59/802018059.db2.gz UQTVZCJKTUSHGX-SJORKVTESA-N 2 2 344.503 2.412 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473736 802164816 /nfs/dbraw/zinc/16/48/16/802164816.db2.gz LHEKSRGDYQFJOM-MSOLQXFVSA-N 2 2 342.487 2.335 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473736 802164821 /nfs/dbraw/zinc/16/48/21/802164821.db2.gz LHEKSRGDYQFJOM-MSOLQXFVSA-N 2 2 342.487 2.335 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577514 802402449 /nfs/dbraw/zinc/40/24/49/802402449.db2.gz GWUIFWLLERUZMS-APWZRJJASA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577514 802402453 /nfs/dbraw/zinc/40/24/53/802402453.db2.gz GWUIFWLLERUZMS-APWZRJJASA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577514 802402455 /nfs/dbraw/zinc/40/24/55/802402455.db2.gz GWUIFWLLERUZMS-APWZRJJASA-N 2 2 342.487 2.315 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577514 802402458 /nfs/dbraw/zinc/40/24/58/802402458.db2.gz GWUIFWLLERUZMS-APWZRJJASA-N 2 2 342.487 2.315 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001108334353 803310147 /nfs/dbraw/zinc/31/01/47/803310147.db2.gz IXYGXDUNRINNAT-HKUYNNGSSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001108334353 803310150 /nfs/dbraw/zinc/31/01/50/803310150.db2.gz IXYGXDUNRINNAT-HKUYNNGSSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001108334353 803310152 /nfs/dbraw/zinc/31/01/52/803310152.db2.gz IXYGXDUNRINNAT-HKUYNNGSSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001108334353 803310154 /nfs/dbraw/zinc/31/01/54/803310154.db2.gz IXYGXDUNRINNAT-HKUYNNGSSA-N 2 2 337.508 2.034 20 30 EEEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001108687505 804354679 /nfs/dbraw/zinc/35/46/79/804354679.db2.gz FTSOTQODJHLSNZ-JQHSSLGASA-N 2 2 336.439 2.249 20 30 EEEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001440881575 1094140080 /nfs/dbraw/zinc/14/00/80/1094140080.db2.gz HXROBASFWUFBRS-ZIAGYGMSSA-N 2 2 338.883 2.350 20 30 EEEDLP N#Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000174308210 231174529 /nfs/dbraw/zinc/17/45/29/231174529.db2.gz DTLRGSGVYUOGGX-UHFFFAOYSA-N 2 2 341.411 2.152 20 30 EEEDLP C#CCn1ccc(C[N@@H+](CC)Cc2cn(-c3cc[nH+]cc3)nc2C)n1 ZINC000491463745 246038341 /nfs/dbraw/zinc/03/83/41/246038341.db2.gz OKNAZFSRNGFWDG-UHFFFAOYSA-N 2 2 334.427 2.428 20 30 EEEDLP C#CCn1ccc(C[N@H+](CC)Cc2cn(-c3cc[nH+]cc3)nc2C)n1 ZINC000491463745 246038347 /nfs/dbraw/zinc/03/83/47/246038347.db2.gz OKNAZFSRNGFWDG-UHFFFAOYSA-N 2 2 334.427 2.428 20 30 EEEDLP Cc1ccnc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c1C#N ZINC000273410416 256293917 /nfs/dbraw/zinc/29/39/17/256293917.db2.gz XKKFWPRNUINJKG-UHFFFAOYSA-N 2 2 327.476 2.257 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346474966 161375578 /nfs/dbraw/zinc/37/55/78/161375578.db2.gz BUNINVJGZCSEQU-PBHICJAKSA-N 2 2 336.395 2.434 20 30 EEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346474966 161375579 /nfs/dbraw/zinc/37/55/79/161375579.db2.gz BUNINVJGZCSEQU-PBHICJAKSA-N 2 2 336.395 2.434 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000360838513 164388642 /nfs/dbraw/zinc/38/86/42/164388642.db2.gz CQIRCGSTLRDJNV-RBUKOAKNSA-N 2 2 340.471 2.255 20 30 EEEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000360838513 164388644 /nfs/dbraw/zinc/38/86/44/164388644.db2.gz CQIRCGSTLRDJNV-RBUKOAKNSA-N 2 2 340.471 2.255 20 30 EEEDLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000278907441 269250625 /nfs/dbraw/zinc/25/06/25/269250625.db2.gz VOBPJBIXTBHLFI-UXHICEINSA-N 2 2 343.471 2.306 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000328606567 465068439 /nfs/dbraw/zinc/06/84/39/465068439.db2.gz KMXWEECRDZHTAX-SFHVURJKSA-N 2 2 337.508 2.443 20 30 EEEDLP CC[NH+]=C(NCCc1ccccn1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262006695 463924393 /nfs/dbraw/zinc/92/43/93/463924393.db2.gz VSUFSYFQYBNSIY-WMZOPIPTSA-N 2 2 340.475 2.369 20 30 EEEDLP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cn1cc[nH+]c1 ZINC000278765995 463982828 /nfs/dbraw/zinc/98/28/28/463982828.db2.gz XVYZOKFXEWPHAB-INIZCTEOSA-N 2 2 349.442 2.481 20 30 EEEDLP C[C@H](NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136848 464287033 /nfs/dbraw/zinc/28/70/33/464287033.db2.gz ZZXMNQOIRGKGTM-JQWIXIFHSA-N 2 2 345.274 2.289 20 30 EEEDLP C[C@H](NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1Cl ZINC000264136848 464287039 /nfs/dbraw/zinc/28/70/39/464287039.db2.gz ZZXMNQOIRGKGTM-JQWIXIFHSA-N 2 2 345.274 2.289 20 30 EEEDLP N#Cc1ccnc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000337620036 465474201 /nfs/dbraw/zinc/47/42/01/465474201.db2.gz FAFPINSEQRBXQA-UHFFFAOYSA-N 2 2 344.422 2.461 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378354475 467276677 /nfs/dbraw/zinc/27/66/77/467276677.db2.gz JWORHDIMSJRWPR-PKOBYXMFSA-N 2 2 342.487 2.189 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000378354475 467276678 /nfs/dbraw/zinc/27/66/78/467276678.db2.gz JWORHDIMSJRWPR-PKOBYXMFSA-N 2 2 342.487 2.189 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000577275145 468181777 /nfs/dbraw/zinc/18/17/77/468181777.db2.gz LUTJDPSKEIVUKE-QRVBRYPASA-N 2 2 330.472 2.371 20 30 EEEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000577275145 468181783 /nfs/dbraw/zinc/18/17/83/468181783.db2.gz LUTJDPSKEIVUKE-QRVBRYPASA-N 2 2 330.472 2.371 20 30 EEEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000595302853 468806815 /nfs/dbraw/zinc/80/68/15/468806815.db2.gz MIKQJXHSWREDES-KRWDZBQOSA-N 2 2 331.460 2.103 20 30 EEEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000595302853 468806821 /nfs/dbraw/zinc/80/68/21/468806821.db2.gz MIKQJXHSWREDES-KRWDZBQOSA-N 2 2 331.460 2.103 20 30 EEEDLP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)C[C@H](O)CC(C)(C)C#N)CCCN1C ZINC000598615827 468934292 /nfs/dbraw/zinc/93/42/92/468934292.db2.gz GQBRXIOTUYREFV-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)CCCN1C ZINC000598615827 468934295 /nfs/dbraw/zinc/93/42/95/468934295.db2.gz GQBRXIOTUYREFV-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[N@H+](C)C[C@H](O)CC(C)(C)C#N)CCC[NH+]1C ZINC000598615827 468934299 /nfs/dbraw/zinc/93/42/99/468934299.db2.gz GQBRXIOTUYREFV-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)CCC[NH+]1C ZINC000598615827 468934303 /nfs/dbraw/zinc/93/43/03/468934303.db2.gz GQBRXIOTUYREFV-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)CCC[N@@H+]1C ZINC000598615827 468934306 /nfs/dbraw/zinc/93/43/06/468934306.db2.gz GQBRXIOTUYREFV-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cn1cncc1[C@H]1[C@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)CCC[N@H+]1C ZINC000598615827 468934311 /nfs/dbraw/zinc/93/43/11/468934311.db2.gz GQBRXIOTUYREFV-LZLYRXPVSA-N 2 2 347.507 2.036 20 30 EEEDLP Cc1nnsc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602706320 469024254 /nfs/dbraw/zinc/02/42/54/469024254.db2.gz NXJMACXPIFVHEL-UHFFFAOYSA-N 2 2 327.457 2.472 20 30 EEEDLP C[C@@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602862112 469126342 /nfs/dbraw/zinc/12/63/42/469126342.db2.gz LBIMBODHRNIDIM-WMLDXEAASA-N 2 2 348.878 2.485 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988876 469132529 /nfs/dbraw/zinc/13/25/29/469132529.db2.gz SKFBSZYGXQSXCC-IAGOWNOFSA-N 2 2 340.427 2.095 20 30 EEEDLP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000610988876 469132536 /nfs/dbraw/zinc/13/25/36/469132536.db2.gz SKFBSZYGXQSXCC-IAGOWNOFSA-N 2 2 340.427 2.095 20 30 EEEDLP Cc1noc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000074285544 534415522 /nfs/dbraw/zinc/41/55/22/534415522.db2.gz ORVLTIYDQLDVDD-UHFFFAOYSA-N 2 2 329.404 2.201 20 30 EEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000106275186 526589887 /nfs/dbraw/zinc/58/98/87/526589887.db2.gz XHVHYIGTQIOBIE-UHFFFAOYSA-N 2 2 331.464 2.223 20 30 EEEDLP C#CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000763948501 577728449 /nfs/dbraw/zinc/72/84/49/577728449.db2.gz AELIEPQGXZDNLS-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000763948501 577728450 /nfs/dbraw/zinc/72/84/50/577728450.db2.gz AELIEPQGXZDNLS-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000763948501 577728451 /nfs/dbraw/zinc/72/84/51/577728451.db2.gz AELIEPQGXZDNLS-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000763948501 577728452 /nfs/dbraw/zinc/72/84/52/577728452.db2.gz AELIEPQGXZDNLS-UHFFFAOYSA-N 2 2 339.483 2.127 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000754750130 577812008 /nfs/dbraw/zinc/81/20/08/577812008.db2.gz VCOAVUOSASPNPE-HNNXBMFYSA-N 2 2 341.480 2.329 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000969716894 675173355 /nfs/dbraw/zinc/17/33/55/675173355.db2.gz KUCWPVUIXUYJDI-KBXCAEBGSA-N 2 2 345.491 2.193 20 30 EEEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000969716894 675173356 /nfs/dbraw/zinc/17/33/56/675173356.db2.gz KUCWPVUIXUYJDI-KBXCAEBGSA-N 2 2 345.491 2.193 20 30 EEEDLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969977043 675359011 /nfs/dbraw/zinc/35/90/11/675359011.db2.gz WUSOHNZUWMMIIK-GUYCJALGSA-N 2 2 346.500 2.041 20 30 EEEDLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969977043 675359014 /nfs/dbraw/zinc/35/90/14/675359014.db2.gz WUSOHNZUWMMIIK-GUYCJALGSA-N 2 2 346.500 2.041 20 30 EEEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001021638399 676293948 /nfs/dbraw/zinc/29/39/48/676293948.db2.gz DSRGNSMAPGURHC-ICSRJNTNSA-N 2 2 348.450 2.432 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039459654 676897127 /nfs/dbraw/zinc/89/71/27/676897127.db2.gz HEQIFABNGBPKCI-XHSDSOJGSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039459654 676897128 /nfs/dbraw/zinc/89/71/28/676897128.db2.gz HEQIFABNGBPKCI-XHSDSOJGSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039459654 676897130 /nfs/dbraw/zinc/89/71/30/676897130.db2.gz HEQIFABNGBPKCI-XHSDSOJGSA-N 2 2 325.884 2.146 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039459654 676897132 /nfs/dbraw/zinc/89/71/32/676897132.db2.gz HEQIFABNGBPKCI-XHSDSOJGSA-N 2 2 325.884 2.146 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025242560 682309889 /nfs/dbraw/zinc/30/98/89/682309889.db2.gz JJPKHDXDOOXMCS-ZWKOTPCHSA-N 2 2 342.487 2.405 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025242560 682309895 /nfs/dbraw/zinc/30/98/95/682309895.db2.gz JJPKHDXDOOXMCS-ZWKOTPCHSA-N 2 2 342.487 2.405 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422596 682730826 /nfs/dbraw/zinc/73/08/26/682730826.db2.gz LDIZWZJZDXGJKO-FUHWJXTLSA-N 2 2 338.455 2.496 20 30 EEEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025422596 682730828 /nfs/dbraw/zinc/73/08/28/682730828.db2.gz LDIZWZJZDXGJKO-FUHWJXTLSA-N 2 2 338.455 2.496 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597439 685113210 /nfs/dbraw/zinc/11/32/10/685113210.db2.gz DVIJJFCEBQODFU-ZNMIVQPWSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597439 685113215 /nfs/dbraw/zinc/11/32/15/685113215.db2.gz DVIJJFCEBQODFU-ZNMIVQPWSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597439 685113220 /nfs/dbraw/zinc/11/32/20/685113220.db2.gz DVIJJFCEBQODFU-ZNMIVQPWSA-N 2 2 327.900 2.296 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974597439 685113224 /nfs/dbraw/zinc/11/32/24/685113224.db2.gz DVIJJFCEBQODFU-ZNMIVQPWSA-N 2 2 327.900 2.296 20 30 EEEDLP C=CCC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974615414 685115835 /nfs/dbraw/zinc/11/58/35/685115835.db2.gz HDCKUJBLEUGTIO-INIZCTEOSA-N 2 2 330.476 2.165 20 30 EEEDLP C=CCC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974615414 685115839 /nfs/dbraw/zinc/11/58/39/685115839.db2.gz HDCKUJBLEUGTIO-INIZCTEOSA-N 2 2 330.476 2.165 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000986297360 688468626 /nfs/dbraw/zinc/46/86/26/688468626.db2.gz VJCPHUWZYRVQMT-ZFWWWQNUSA-N 2 2 336.867 2.093 20 30 EEEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458453 691909940 /nfs/dbraw/zinc/90/99/40/691909940.db2.gz JAAFCPGJXMOUFT-HXUWFJFHSA-N 2 2 327.472 2.021 20 30 EEEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458453 691909943 /nfs/dbraw/zinc/90/99/43/691909943.db2.gz JAAFCPGJXMOUFT-HXUWFJFHSA-N 2 2 327.472 2.021 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943256696 1192144893 /nfs/dbraw/zinc/14/48/93/1192144893.db2.gz TVDBFRZASZUYPL-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943256696 1192144895 /nfs/dbraw/zinc/14/48/95/1192144895.db2.gz TVDBFRZASZUYPL-MSOLQXFVSA-N 2 2 349.519 2.034 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107025031 1192712385 /nfs/dbraw/zinc/71/23/85/1192712385.db2.gz IXQPNDFXCCICNP-NVXWUHKLSA-N 2 2 347.528 2.366 20 30 EEEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107025031 1192712387 /nfs/dbraw/zinc/71/23/87/1192712387.db2.gz IXQPNDFXCCICNP-NVXWUHKLSA-N 2 2 347.528 2.366 20 30 EEEDLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001266948345 1177872706 /nfs/dbraw/zinc/87/27/06/1177872706.db2.gz OGYXOOKJQUHWSD-ZDUSSCGKSA-N 2 2 333.395 2.343 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001088353141 1186653701 /nfs/dbraw/zinc/65/37/01/1186653701.db2.gz RHAHVGMOAUGZFJ-ROUUACIJSA-N 2 2 337.508 2.034 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001088353141 1186653704 /nfs/dbraw/zinc/65/37/04/1186653704.db2.gz RHAHVGMOAUGZFJ-ROUUACIJSA-N 2 2 337.508 2.034 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105568219 1188182130 /nfs/dbraw/zinc/18/21/30/1188182130.db2.gz IVZXDBMXFUKRMY-SJLPKXTDSA-N 2 2 342.487 2.363 20 30 EEEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105568219 1188182132 /nfs/dbraw/zinc/18/21/32/1188182132.db2.gz IVZXDBMXFUKRMY-SJLPKXTDSA-N 2 2 342.487 2.363 20 30 EEEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576426 1188190738 /nfs/dbraw/zinc/19/07/38/1188190738.db2.gz CGVUWSNTCHRDKN-SFHVURJKSA-N 2 2 342.487 2.425 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001014768620 1224317939 /nfs/dbraw/zinc/31/79/39/1224317939.db2.gz FAMOUJIIRJAGNQ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC001014768620 1224317944 /nfs/dbraw/zinc/31/79/44/1224317944.db2.gz FAMOUJIIRJAGNQ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)C1 ZINC001014768620 1224317955 /nfs/dbraw/zinc/31/79/55/1224317955.db2.gz FAMOUJIIRJAGNQ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)C1 ZINC001014768620 1224317960 /nfs/dbraw/zinc/31/79/60/1224317960.db2.gz FAMOUJIIRJAGNQ-PMACEKPBSA-N 2 2 339.483 2.037 20 30 EEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005604449 1196537079 /nfs/dbraw/zinc/53/70/79/1196537079.db2.gz AETBKKIOOVSSET-MRXNPFEDSA-N 2 2 330.476 2.335 20 30 EEEDLP C[C@H](CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001134498994 1199627361 /nfs/dbraw/zinc/62/73/61/1199627361.db2.gz UGJAXFFOGSKGBZ-OAHLLOKOSA-N 2 2 344.846 2.245 20 30 EEEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134740993 1199784099 /nfs/dbraw/zinc/78/40/99/1199784099.db2.gz VESQGPLTGZIBJC-UONOGXRCSA-N 2 2 330.432 2.252 20 30 EEEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001275231588 1205286583 /nfs/dbraw/zinc/28/65/83/1205286583.db2.gz FDGMAPDWPMPRAC-AWEZNQCLSA-N 2 2 333.395 2.114 20 30 EEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000947921055 1208776894 /nfs/dbraw/zinc/77/68/94/1208776894.db2.gz KJDDBKOZKVJDOE-CABCVRRESA-N 2 2 325.416 2.036 20 30 EEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000947921055 1208776895 /nfs/dbraw/zinc/77/68/95/1208776895.db2.gz KJDDBKOZKVJDOE-CABCVRRESA-N 2 2 325.416 2.036 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561030 1209222776 /nfs/dbraw/zinc/22/27/76/1209222776.db2.gz ICKCIQAWUBCXNR-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561030 1209222778 /nfs/dbraw/zinc/22/27/78/1209222778.db2.gz ICKCIQAWUBCXNR-SJORKVTESA-N 2 2 330.476 2.335 20 30 EEEDLP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001006439027 1209465927 /nfs/dbraw/zinc/46/59/27/1209465927.db2.gz NGWYCIOCGOPBCM-UHFFFAOYSA-N 2 2 345.512 2.052 20 30 EEEDLP CC#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001006439027 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EEEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993523462 796780231 /nfs/dbraw/zinc/78/02/31/796780231.db2.gz RJMDLZVHMWSVPU-GOEBONIOSA-N 2 2 334.464 2.285 20 30 EEEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001078688531 796868921 /nfs/dbraw/zinc/86/89/21/796868921.db2.gz RIMXOLIUFRDVNB-QZTJIDSGSA-N 2 2 334.423 2.136 20 30 EEEDLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994408728 797948601 /nfs/dbraw/zinc/94/86/01/797948601.db2.gz OXJNKFHRQRIDRT-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994408728 797948604 /nfs/dbraw/zinc/94/86/04/797948604.db2.gz OXJNKFHRQRIDRT-QFBILLFUSA-N 2 2 340.471 2.123 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084598940 798299424 /nfs/dbraw/zinc/29/94/24/798299424.db2.gz MAEYBFLGEPIGEN-IXDOHACOSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598940 798299426 /nfs/dbraw/zinc/29/94/26/798299426.db2.gz MAEYBFLGEPIGEN-IXDOHACOSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598940 798299428 /nfs/dbraw/zinc/29/94/28/798299428.db2.gz MAEYBFLGEPIGEN-IXDOHACOSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598940 798299432 /nfs/dbraw/zinc/29/94/32/798299432.db2.gz MAEYBFLGEPIGEN-IXDOHACOSA-N 2 2 339.911 2.394 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003205818 799365975 /nfs/dbraw/zinc/36/59/75/799365975.db2.gz DFPCYVBGFCXCMT-OAHLLOKOSA-N 2 2 330.476 2.370 20 30 EEEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003205818 799365984 /nfs/dbraw/zinc/36/59/84/799365984.db2.gz DFPCYVBGFCXCMT-OAHLLOKOSA-N 2 2 330.476 2.370 20 30 EEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085391856 800447162 /nfs/dbraw/zinc/44/71/62/800447162.db2.gz YLDZINWWNYAWBI-HZPDHXFCSA-N 2 2 325.416 2.084 20 30 EEEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](CC)[NH+](CC)CC)c2C1 ZINC001128488444 800584077 /nfs/dbraw/zinc/58/40/77/800584077.db2.gz BLUKNIGRPZNOPG-QGZVFWFLSA-N 2 2 347.507 2.011 20 30 EEEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](CC)[NH+](CC)CC)c2C1 ZINC001128488444 800584081 /nfs/dbraw/zinc/58/40/81/800584081.db2.gz BLUKNIGRPZNOPG-QGZVFWFLSA-N 2 2 347.507 2.011 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085214 801519703 /nfs/dbraw/zinc/51/97/03/801519703.db2.gz QCBWNSLOJCBFFE-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085214 801519708 /nfs/dbraw/zinc/51/97/08/801519708.db2.gz QCBWNSLOJCBFFE-FGTMMUONSA-N 2 2 342.487 2.263 20 30 EEEDLP N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004487226 802191709 /nfs/dbraw/zinc/19/17/09/802191709.db2.gz ALDWXBCVQMKOFR-SFHVURJKSA-N 2 2 337.427 2.174 20 30 EEEDLP N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004487226 802191716 /nfs/dbraw/zinc/19/17/16/802191716.db2.gz ALDWXBCVQMKOFR-SFHVURJKSA-N 2 2 337.427 2.174 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004597046 802452265 /nfs/dbraw/zinc/45/22/65/802452265.db2.gz QNQYNWXBSCBUBF-INIZCTEOSA-N 2 2 328.460 2.024 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004597046 802452269 /nfs/dbraw/zinc/45/22/69/802452269.db2.gz QNQYNWXBSCBUBF-INIZCTEOSA-N 2 2 328.460 2.024 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033199378 803065017 /nfs/dbraw/zinc/06/50/17/803065017.db2.gz RTIFBPYJMZIYBH-VQTJNVASSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033199378 803065021 /nfs/dbraw/zinc/06/50/21/803065021.db2.gz RTIFBPYJMZIYBH-VQTJNVASSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199378 803065026 /nfs/dbraw/zinc/06/50/26/803065026.db2.gz RTIFBPYJMZIYBH-VQTJNVASSA-N 2 2 339.483 2.055 20 30 EEEDLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033199378 803065032 /nfs/dbraw/zinc/06/50/32/803065032.db2.gz RTIFBPYJMZIYBH-VQTJNVASSA-N 2 2 339.483 2.055 20 30 EEEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422611 803537221 /nfs/dbraw/zinc/53/72/21/803537221.db2.gz XLYYOSRBVYDCKF-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001108422611 803537222 /nfs/dbraw/zinc/53/72/22/803537222.db2.gz XLYYOSRBVYDCKF-QUCCMNQESA-N 2 2 345.487 2.073 20 30 EEEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109418111 805432646 /nfs/dbraw/zinc/43/26/46/805432646.db2.gz XTRJLCMQXYRMKV-WCVJEAGWSA-N 2 2 325.884 2.335 20 30 EEEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109418111 805432651 /nfs/dbraw/zinc/43/26/51/805432651.db2.gz XTRJLCMQXYRMKV-WCVJEAGWSA-N 2 2 325.884 2.335 20 30 EEEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109418111 805432655 /nfs/dbraw/zinc/43/26/55/805432655.db2.gz XTRJLCMQXYRMKV-WCVJEAGWSA-N 2 2 325.884 2.335 20 30 EEEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109418111 805432659 /nfs/dbraw/zinc/43/26/59/805432659.db2.gz XTRJLCMQXYRMKV-WCVJEAGWSA-N 2 2 325.884 2.335 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCC ZINC001109415017 805436250 /nfs/dbraw/zinc/43/62/50/805436250.db2.gz YZQXHPRLLBVQPC-XWSJACJDSA-N 2 2 331.504 2.386 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC ZINC001109415017 805436254 /nfs/dbraw/zinc/43/62/54/805436254.db2.gz YZQXHPRLLBVQPC-XWSJACJDSA-N 2 2 331.504 2.386 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCC ZINC001109415017 805436258 /nfs/dbraw/zinc/43/62/58/805436258.db2.gz YZQXHPRLLBVQPC-XWSJACJDSA-N 2 2 331.504 2.386 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCC ZINC001109415017 805436262 /nfs/dbraw/zinc/43/62/62/805436262.db2.gz YZQXHPRLLBVQPC-XWSJACJDSA-N 2 2 331.504 2.386 20 30 EEEDLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001443769326 1098261156 /nfs/dbraw/zinc/26/11/56/1098261156.db2.gz YFCODLXLVGBHSV-GOSISDBHSA-N 2 2 342.487 2.227 20 30 EEEDLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001443769326 1098261160 /nfs/dbraw/zinc/26/11/60/1098261160.db2.gz YFCODLXLVGBHSV-GOSISDBHSA-N 2 2 342.487 2.227 20 30 EEEDLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001443769326 1098261170 /nfs/dbraw/zinc/26/11/70/1098261170.db2.gz YFCODLXLVGBHSV-GOSISDBHSA-N 2 2 342.487 2.227 20 30 EEEDLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)CC(C)(C)C ZINC001443769326 1098261174 /nfs/dbraw/zinc/26/11/74/1098261174.db2.gz YFCODLXLVGBHSV-GOSISDBHSA-N 2 2 342.487 2.227 20 30 EEEDLP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC001499364886 1112252705 /nfs/dbraw/zinc/25/27/05/1112252705.db2.gz HTMRCRUUDBMVSH-HNNXBMFYSA-N 2 2 337.427 2.144 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001523991361 1119948029 /nfs/dbraw/zinc/94/80/29/1119948029.db2.gz KVERJAITZIVCAR-KRWDZBQOSA-N 2 2 344.507 2.295 20 30 EEEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001523991361 1119948031 /nfs/dbraw/zinc/94/80/31/1119948031.db2.gz KVERJAITZIVCAR-KRWDZBQOSA-N 2 2 344.507 2.295 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000051236030 214084994 /nfs/dbraw/zinc/08/49/94/214084994.db2.gz GZHXIMPUKKBTIU-UHFFFAOYSA-N 2 2 341.459 2.238 20 30 EEEDLP CN(CCC#N)c1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093412908 529869984 /nfs/dbraw/zinc/86/99/84/529869984.db2.gz SRODRLSHQIOWPH-UHFFFAOYSA-N 2 2 344.503 2.315 20 30 EEEDLP CN(CCC#N)c1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093412908 529869986 /nfs/dbraw/zinc/86/99/86/529869986.db2.gz SRODRLSHQIOWPH-UHFFFAOYSA-N 2 2 344.503 2.315 20 30 EEEDLP C[C@H](CN1CCCC1=O)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181555079 234228822 /nfs/dbraw/zinc/22/88/22/234228822.db2.gz QJIWDXKGMBHCNM-MRXNPFEDSA-N 2 2 340.471 2.123 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000362032062 283139333 /nfs/dbraw/zinc/13/93/33/283139333.db2.gz IDACWVKXOUNVOU-LJQANCHMSA-N 2 2 335.455 2.393 20 30 EEEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842902 221195906 /nfs/dbraw/zinc/19/59/06/221195906.db2.gz GLCYFKSDHQCOPY-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842902 221195909 /nfs/dbraw/zinc/19/59/09/221195909.db2.gz GLCYFKSDHQCOPY-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842902 221195910 /nfs/dbraw/zinc/19/59/10/221195910.db2.gz GLCYFKSDHQCOPY-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842902 221195913 /nfs/dbraw/zinc/19/59/13/221195913.db2.gz GLCYFKSDHQCOPY-ZDUSSCGKSA-N 2 2 334.851 2.424 20 30 EEEDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1C#N ZINC000565230895 319164874 /nfs/dbraw/zinc/16/48/74/319164874.db2.gz WTJZSBBTQFRYPU-SFHVURJKSA-N 2 2 329.444 2.254 20 30 EEEDLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1C#N ZINC000565230895 319164876 /nfs/dbraw/zinc/16/48/76/319164876.db2.gz WTJZSBBTQFRYPU-SFHVURJKSA-N 2 2 329.444 2.254 20 30 EEEDLP Cn1c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2[nH+]c1C1CC1 ZINC000578888319 468276073 /nfs/dbraw/zinc/27/60/73/468276073.db2.gz YWQMJHDACDPBPW-AWEZNQCLSA-N 2 2 325.416 2.088 20 30 EEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134113746 463004900 /nfs/dbraw/zinc/00/49/00/463004900.db2.gz HECANZFRWPTOQX-OAHLLOKOSA-N 2 2 336.443 2.297 20 30 EEEDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000050954611 463012465 /nfs/dbraw/zinc/01/24/65/463012465.db2.gz WCTROMHJGJUHED-UHFFFAOYSA-N 2 2 343.431 2.437 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000107368909 463566738 /nfs/dbraw/zinc/56/67/38/463566738.db2.gz PUOLZBZANYWOJK-GOSISDBHSA-N 2 2 337.471 2.023 20 30 EEEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000107368909 463566743 /nfs/dbraw/zinc/56/67/43/463566743.db2.gz PUOLZBZANYWOJK-GOSISDBHSA-N 2 2 337.471 2.023 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974662 463568302 /nfs/dbraw/zinc/56/83/02/463568302.db2.gz JGNYSIONZFVPLX-SQNIBIBYSA-N 2 2 334.508 2.333 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974662 463568304 /nfs/dbraw/zinc/56/83/04/463568304.db2.gz JGNYSIONZFVPLX-SQNIBIBYSA-N 2 2 334.508 2.333 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974662 463568308 /nfs/dbraw/zinc/56/83/08/463568308.db2.gz JGNYSIONZFVPLX-SQNIBIBYSA-N 2 2 334.508 2.333 20 30 EEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974662 463568312 /nfs/dbraw/zinc/56/83/12/463568312.db2.gz JGNYSIONZFVPLX-SQNIBIBYSA-N 2 2 334.508 2.333 20 30 EEEDLP C#CCOc1ccccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000289554778 464084262 /nfs/dbraw/zinc/08/42/62/464084262.db2.gz YBHBQRAMWKAVJJ-UHFFFAOYSA-N 2 2 329.488 2.156 20 30 EEEDLP C#CCOc1ccccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000289554778 464084265 /nfs/dbraw/zinc/08/42/65/464084265.db2.gz YBHBQRAMWKAVJJ-UHFFFAOYSA-N 2 2 329.488 2.156 20 30 EEEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCN(C)CC1 ZINC000264066128 464278494 /nfs/dbraw/zinc/27/84/94/464278494.db2.gz FACHXNASGMUOGA-LJQANCHMSA-N 2 2 343.519 2.174 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)CC1 ZINC000281782262 464584262 /nfs/dbraw/zinc/58/42/62/464584262.db2.gz LPTGOBWRPIIDCV-QGZVFWFLSA-N 2 2 328.460 2.302 20 30 EEEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCCCC1 ZINC000329709279 465412068 /nfs/dbraw/zinc/41/20/68/465412068.db2.gz LNDDEWCBRYITFT-CQSZACIVSA-N 2 2 333.480 2.425 20 30 EEEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCCCC1 ZINC000329709279 465412075 /nfs/dbraw/zinc/41/20/75/465412075.db2.gz LNDDEWCBRYITFT-CQSZACIVSA-N 2 2 333.480 2.425 20 30 EEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1n1cc[nH+]c1 ZINC000329971294 465492046 /nfs/dbraw/zinc/49/20/46/465492046.db2.gz XPWAYFSMNMVSHJ-QBPKDAKJSA-N 2 2 331.464 2.307 20 30 EEEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1n1cc[nH+]c1 ZINC000329971294 465492051 /nfs/dbraw/zinc/49/20/51/465492051.db2.gz XPWAYFSMNMVSHJ-QBPKDAKJSA-N 2 2 331.464 2.307 20 30 EEEDLP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330312462 465609017 /nfs/dbraw/zinc/60/90/17/465609017.db2.gz OIYCASGGWAFLSM-HNNXBMFYSA-N 2 2 332.448 2.190 20 30 EEEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000424139633 466988468 /nfs/dbraw/zinc/98/84/68/466988468.db2.gz DMUPKYSILULPPC-KRWDZBQOSA-N 2 2 339.443 2.153 20 30 EEEDLP C[C@H]1CN(Cc2cccc(F)c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000428301336 467219907 /nfs/dbraw/zinc/21/99/07/467219907.db2.gz PCVCBFUPBYXESH-HNNXBMFYSA-N 2 2 330.451 2.298 20 30 EEEDLP C[C@H]1CN(Cc2cccc(F)c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000428301336 467219911 /nfs/dbraw/zinc/21/99/11/467219911.db2.gz PCVCBFUPBYXESH-HNNXBMFYSA-N 2 2 330.451 2.298 20 30 EEEDLP C=C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000489484076 468142102 /nfs/dbraw/zinc/14/21/02/468142102.db2.gz RLTOSZLTDQPCJK-QGZVFWFLSA-N 2 2 328.460 2.161 20 30 EEEDLP C=C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000489484076 468142107 /nfs/dbraw/zinc/14/21/07/468142107.db2.gz RLTOSZLTDQPCJK-QGZVFWFLSA-N 2 2 328.460 2.161 20 30 EEEDLP Cc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])CCCC#N)ccc2n1C1CC1 ZINC000566194623 468147418 /nfs/dbraw/zinc/14/74/18/468147418.db2.gz CESQONPYLAVZFL-HNNXBMFYSA-N 2 2 325.416 2.317 20 30 EEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(CO)o3)CC2)c1 ZINC000593692558 469097823 /nfs/dbraw/zinc/09/78/23/469097823.db2.gz FOTGZTLWIYLFJC-UHFFFAOYSA-N 2 2 325.412 2.398 20 30 EEEDLP COC(=O)CC1CC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593695265 469097844 /nfs/dbraw/zinc/09/78/44/469097844.db2.gz IZEFVAOGIXDAQL-UHFFFAOYSA-N 2 2 341.455 2.454 20 30 EEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069392 469249687 /nfs/dbraw/zinc/24/96/87/469249687.db2.gz BKQSOTIRXYICEK-UHFFFAOYSA-N 2 2 347.438 2.187 20 30 EEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069392 469249694 /nfs/dbraw/zinc/24/96/94/469249694.db2.gz BKQSOTIRXYICEK-UHFFFAOYSA-N 2 2 347.438 2.187 20 30 EEEDLP CN(C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1(C#N)CCCCC1 ZINC000609157452 469898517 /nfs/dbraw/zinc/89/85/17/469898517.db2.gz REJUHXVGPQCARX-INIZCTEOSA-N 2 2 329.448 2.205 20 30 EEEDLP CN(C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1(C#N)CCCCC1 ZINC000609157452 469898518 /nfs/dbraw/zinc/89/85/18/469898518.db2.gz REJUHXVGPQCARX-INIZCTEOSA-N 2 2 329.448 2.205 20 30 EEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c(C#N)nnc4ccccc43)C2)CC1 ZINC000610130638 469983143 /nfs/dbraw/zinc/98/31/43/469983143.db2.gz BEBOENYYZQHJRL-AWEZNQCLSA-N 2 2 336.443 2.082 20 30 EEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c(C#N)nnc4ccccc43)C2)CC1 ZINC000610130638 469983147 /nfs/dbraw/zinc/98/31/47/469983147.db2.gz BEBOENYYZQHJRL-AWEZNQCLSA-N 2 2 336.443 2.082 20 30 EEEDLP C=CC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661378585 471734073 /nfs/dbraw/zinc/73/40/73/471734073.db2.gz JNDYMEMDAGSQMA-SFHVURJKSA-N 2 2 342.487 2.408 20 30 EEEDLP C=CC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661378585 471734079 /nfs/dbraw/zinc/73/40/79/471734079.db2.gz JNDYMEMDAGSQMA-SFHVURJKSA-N 2 2 342.487 2.408 20 30 EEEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000775632441 577441309 /nfs/dbraw/zinc/44/13/09/577441309.db2.gz NDVOCAZKZOFSCQ-UHFFFAOYSA-N 2 2 333.407 2.205 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000768516504 577557554 /nfs/dbraw/zinc/55/75/54/577557554.db2.gz VHBTYOFGEZFEFV-XLIONFOSSA-N 2 2 326.488 2.475 20 30 EEEDLP C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000768516504 577557555 /nfs/dbraw/zinc/55/75/55/577557555.db2.gz VHBTYOFGEZFEFV-XLIONFOSSA-N 2 2 326.488 2.475 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)CC1 ZINC000763453572 577721476 /nfs/dbraw/zinc/72/14/76/577721476.db2.gz OQBNRHBRFQXABO-OAQYLSRUSA-N 2 2 339.483 2.019 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@H]2C(C)C)CC1 ZINC000763453572 577721477 /nfs/dbraw/zinc/72/14/77/577721477.db2.gz OQBNRHBRFQXABO-OAQYLSRUSA-N 2 2 339.483 2.019 20 30 EEEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024366996 679883895 /nfs/dbraw/zinc/88/38/95/679883895.db2.gz WSQGWVODUNESDG-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC#Cc1ccccc1 ZINC001024366996 679883896 /nfs/dbraw/zinc/88/38/96/679883896.db2.gz WSQGWVODUNESDG-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024366996 679883897 /nfs/dbraw/zinc/88/38/97/679883897.db2.gz WSQGWVODUNESDG-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024366996 679883898 /nfs/dbraw/zinc/88/38/98/679883898.db2.gz WSQGWVODUNESDG-UXHICEINSA-N 2 2 339.483 2.103 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001028605279 681363738 /nfs/dbraw/zinc/36/37/38/681363738.db2.gz QDFVVGSCIOVZFQ-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001028605279 681363743 /nfs/dbraw/zinc/36/37/43/681363743.db2.gz QDFVVGSCIOVZFQ-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001028605279 681363749 /nfs/dbraw/zinc/36/37/49/681363749.db2.gz QDFVVGSCIOVZFQ-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001028605279 681363753 /nfs/dbraw/zinc/36/37/53/681363753.db2.gz QDFVVGSCIOVZFQ-KZNAEPCWSA-N 2 2 349.438 2.023 20 30 EEEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740046 681401359 /nfs/dbraw/zinc/40/13/59/681401359.db2.gz MVGZACFPZTYAKS-INIZCTEOSA-N 2 2 325.416 2.038 20 30 EEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001024740046 681401362 /nfs/dbraw/zinc/40/13/62/681401362.db2.gz MVGZACFPZTYAKS-INIZCTEOSA-N 2 2 325.416 2.038 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236197 682280040 /nfs/dbraw/zinc/28/00/40/682280040.db2.gz DRBZNRRRNBTFGV-ROUUACIJSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236197 682280042 /nfs/dbraw/zinc/28/00/42/682280042.db2.gz DRBZNRRRNBTFGV-ROUUACIJSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236197 682280043 /nfs/dbraw/zinc/28/00/43/682280043.db2.gz DRBZNRRRNBTFGV-ROUUACIJSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236197 682280045 /nfs/dbraw/zinc/28/00/45/682280045.db2.gz DRBZNRRRNBTFGV-ROUUACIJSA-N 2 2 328.460 2.211 20 30 EEEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255465 682345035 /nfs/dbraw/zinc/34/50/35/682345035.db2.gz QICJQNOJOYXKFM-ROUUACIJSA-N 2 2 328.460 2.142 20 30 EEEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255465 682345040 /nfs/dbraw/zinc/34/50/40/682345040.db2.gz QICJQNOJOYXKFM-ROUUACIJSA-N 2 2 328.460 2.142 20 30 EEEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293030 682402816 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/nfs/dbraw/zinc/68/48/66/1192684866.db2.gz INTBDPXCZMJEBU-KANFNMMFSA-N 2 2 342.487 2.098 20 30 EEEDLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC001481002525 1179459858 /nfs/dbraw/zinc/45/98/58/1179459858.db2.gz LLMMVZMAAUVHCU-MRXNPFEDSA-N 2 2 339.443 2.344 20 30 EEEDLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC001481002525 1179459866 /nfs/dbraw/zinc/45/98/66/1179459866.db2.gz LLMMVZMAAUVHCU-MRXNPFEDSA-N 2 2 339.443 2.344 20 30 EEEDLP C=C1CC(C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)C1 ZINC001270591840 1185189632 /nfs/dbraw/zinc/18/96/32/1185189632.db2.gz KZCNBPQZYCYLLX-MOPGFXCFSA-N 2 2 328.460 2.401 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001088368854 1186684670 /nfs/dbraw/zinc/68/46/70/1186684670.db2.gz UOIUACBIJYZVMM-PKOBYXMFSA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001088368854 1186684674 /nfs/dbraw/zinc/68/46/74/1186684674.db2.gz 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ZINC001276098101 1205779251 /nfs/dbraw/zinc/77/92/51/1205779251.db2.gz XDECSPAPXSEQGL-OAQYLSRUSA-N 2 2 339.483 2.044 20 30 EEEDLP C#Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1 ZINC001276098101 1205779252 /nfs/dbraw/zinc/77/92/52/1205779252.db2.gz XDECSPAPXSEQGL-OAQYLSRUSA-N 2 2 339.483 2.044 20 30 EEEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556473 1209220599 /nfs/dbraw/zinc/22/05/99/1209220599.db2.gz ODMYORDIEZEFMD-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556473 1209220602 /nfs/dbraw/zinc/22/06/02/1209220602.db2.gz ODMYORDIEZEFMD-DLBZAZTESA-N 2 2 330.476 2.335 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000948985063 1209489699 /nfs/dbraw/zinc/48/96/99/1209489699.db2.gz BSAFFACEMCILNN-VQTJNVASSA-N 2 2 339.483 2.210 20 30 EEEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000948985063 1209489701 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C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099121754 1298906851 /nfs/dbraw/zinc/90/68/51/1298906851.db2.gz OCQZVBDVUVZSPQ-MRXNPFEDSA-N 2 2 330.476 2.167 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099121754 1298906855 /nfs/dbraw/zinc/90/68/55/1298906855.db2.gz OCQZVBDVUVZSPQ-MRXNPFEDSA-N 2 2 330.476 2.167 20 30 EEEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276838401 1299859788 /nfs/dbraw/zinc/85/97/88/1299859788.db2.gz VJJZOKAAKANOQY-UHFFFAOYSA-N 2 2 338.459 2.488 20 30 EEEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276838401 1299859804 /nfs/dbraw/zinc/85/98/04/1299859804.db2.gz VJJZOKAAKANOQY-UHFFFAOYSA-N 2 2 338.459 2.488 20 30 EEEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784705 1303883239 /nfs/dbraw/zinc/88/32/39/1303883239.db2.gz YLFCVGKNBFYZDT-NSHGMRRFSA-N 2 2 342.487 2.464 20 30 EEEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784705 1303883244 /nfs/dbraw/zinc/88/32/44/1303883244.db2.gz YLFCVGKNBFYZDT-NSHGMRRFSA-N 2 2 342.487 2.464 20 30 EEEDLP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001115605096 1305490701 /nfs/dbraw/zinc/49/07/01/1305490701.db2.gz VTUQTAFOGCWYEB-INIZCTEOSA-N 2 2 330.476 2.430 20 30 EEEDLP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725294 1305673903 /nfs/dbraw/zinc/67/39/03/1305673903.db2.gz TVLHLJVQFCEUSA-HNNXBMFYSA-N 2 2 328.460 2.262 20 30 EEEDLP N#Cc1ccc(F)c(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c1 ZINC001247860976 1310753129 /nfs/dbraw/zinc/75/31/29/1310753129.db2.gz NUIXEFFTHZIDLJ-CQSZACIVSA-N 2 2 327.363 2.294 20 30 EEEDLP CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115351 1316778814 /nfs/dbraw/zinc/77/88/14/1316778814.db2.gz UGTLSMRCTCQRHH-CYBMUJFWSA-N 2 2 345.472 2.302 20 30 EEEDLP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115351 1316778817 /nfs/dbraw/zinc/77/88/17/1316778817.db2.gz UGTLSMRCTCQRHH-CYBMUJFWSA-N 2 2 345.472 2.302 20 30 EEEDLP C=C1C[NH2+][C@](C)(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC001249231670 1317029855 /nfs/dbraw/zinc/02/98/55/1317029855.db2.gz LEFKXQMNHWTPLB-IBGZPJMESA-N 2 2 340.427 2.334 20 30 EEEDLP C=C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583276 1317888233 /nfs/dbraw/zinc/88/82/33/1317888233.db2.gz ZQEMXKGWKGBQLI-IAGOWNOFSA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001253583276 1317888239 /nfs/dbraw/zinc/88/82/39/1317888239.db2.gz ZQEMXKGWKGBQLI-IAGOWNOFSA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001253583276 1317888244 /nfs/dbraw/zinc/88/82/44/1317888244.db2.gz ZQEMXKGWKGBQLI-IAGOWNOFSA-N 2 2 337.414 2.162 20 30 EEEDLP C=C[C@@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001253583276 1317888253 /nfs/dbraw/zinc/88/82/53/1317888253.db2.gz ZQEMXKGWKGBQLI-IAGOWNOFSA-N 2 2 337.414 2.162 20 30 EEEDLP N#C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001254664512 1318160906 /nfs/dbraw/zinc/16/09/06/1318160906.db2.gz WCWQKRPHFZENMV-IKGGRYGDSA-N 2 2 326.444 2.491 20 30 EEEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001158148399 1319045354 /nfs/dbraw/zinc/04/53/54/1319045354.db2.gz OUWPRSIVJHTMFP-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001158148399 1319045360 /nfs/dbraw/zinc/04/53/60/1319045360.db2.gz OUWPRSIVJHTMFP-IAGOWNOFSA-N 2 2 330.476 2.335 20 30 EEEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468342 1319254427 /nfs/dbraw/zinc/25/44/27/1319254427.db2.gz TVNDIQSJPPXYNT-HZPDHXFCSA-N 2 2 328.460 2.166 20 30 EEEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468342 1319254432 /nfs/dbraw/zinc/25/44/32/1319254432.db2.gz TVNDIQSJPPXYNT-HZPDHXFCSA-N 2 2 328.460 2.166 20 30 EEEDLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C[C@H](C)[NH2+]1 ZINC001161229679 1320426757 /nfs/dbraw/zinc/42/67/57/1320426757.db2.gz QDJJCYSKJOKXTH-BXWFABGCSA-N 2 2 340.471 2.122 20 30 EEEDLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C[C@H](C)[NH2+]1 ZINC001161229679 1320426761 /nfs/dbraw/zinc/42/67/61/1320426761.db2.gz QDJJCYSKJOKXTH-BXWFABGCSA-N 2 2 340.471 2.122 20 30 EEEDLP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001162790582 1320959493 /nfs/dbraw/zinc/95/94/93/1320959493.db2.gz LOUKZSRSLXFGDK-UHFFFAOYSA-N 2 2 338.455 2.027 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164495854 1321396405 /nfs/dbraw/zinc/39/64/05/1321396405.db2.gz AKPHRLSPDRDUAQ-WMZOPIPTSA-N 2 2 337.508 2.080 20 30 EEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164495854 1321396409 /nfs/dbraw/zinc/39/64/09/1321396409.db2.gz AKPHRLSPDRDUAQ-WMZOPIPTSA-N 2 2 337.508 2.080 20 30 EEEDLP Cc1[nH+]c2c(n1-c1c(C#N)cnc3cnc(Cl)cc31)CC[NH2+]CC2 ZINC001165351794 1321506861 /nfs/dbraw/zinc/50/68/61/1321506861.db2.gz KCESIIKGAZNCLO-UHFFFAOYSA-N 2 2 338.802 2.337 20 30 EEEDLP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001316606763 1324582233 /nfs/dbraw/zinc/58/22/33/1324582233.db2.gz PLERFXRSJJYOIS-RTBURBONSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001316606763 1324582242 /nfs/dbraw/zinc/58/22/42/1324582242.db2.gz PLERFXRSJJYOIS-RTBURBONSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001316606763 1324582248 /nfs/dbraw/zinc/58/22/48/1324582248.db2.gz PLERFXRSJJYOIS-RTBURBONSA-N 2 2 327.472 2.235 20 30 EEEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001316606763 1324582253 /nfs/dbraw/zinc/58/22/53/1324582253.db2.gz PLERFXRSJJYOIS-RTBURBONSA-N 2 2 327.472 2.235 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738229 1324645841 /nfs/dbraw/zinc/64/58/41/1324645841.db2.gz LFVVNRBOZVFPCQ-ZWKOTPCHSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738229 1324645846 /nfs/dbraw/zinc/64/58/46/1324645846.db2.gz LFVVNRBOZVFPCQ-ZWKOTPCHSA-N 2 2 337.508 2.034 20 30 EEEDLP C=C(Br)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210477353 1325300268 /nfs/dbraw/zinc/30/02/68/1325300268.db2.gz RUMFWEMIDSYHDY-TZMCWYRMSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210477353 1325300276 /nfs/dbraw/zinc/30/02/76/1325300276.db2.gz RUMFWEMIDSYHDY-TZMCWYRMSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210477353 1325300288 /nfs/dbraw/zinc/30/02/88/1325300288.db2.gz RUMFWEMIDSYHDY-TZMCWYRMSA-N 2 2 346.313 2.063 20 30 EEEDLP C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210477353 1325300295 /nfs/dbraw/zinc/30/02/95/1325300295.db2.gz RUMFWEMIDSYHDY-TZMCWYRMSA-N 2 2 346.313 2.063 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339108253 1336960630 /nfs/dbraw/zinc/96/06/30/1336960630.db2.gz CTHMWJMHQLETCL-IAGOWNOFSA-N 2 2 344.507 2.295 20 30 EEEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339108253 1336960631 /nfs/dbraw/zinc/96/06/31/1336960631.db2.gz CTHMWJMHQLETCL-IAGOWNOFSA-N 2 2 344.507 2.295 20 30 EEEDLP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001135133265 1368054700 /nfs/dbraw/zinc/05/47/00/1368054700.db2.gz XSSZTEQSHQBNJD-ROUUACIJSA-N 2 2 338.455 2.198 20 30 EEEDLP N#Cc1ccc(C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCC2)cc1 ZINC001378362911 1379889817 /nfs/dbraw/zinc/88/98/17/1379889817.db2.gz HIQUHZPPTWKYOP-UHFFFAOYSA-N 2 2 337.427 2.043 20 30 EEEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001752894740 1406523472 /nfs/dbraw/zinc/52/34/72/1406523472.db2.gz MJVOKEUATMHLAI-HNNXBMFYSA-N 2 2 344.846 2.073 20 30 EEEDLP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399723668 1395443323 /nfs/dbraw/zinc/44/33/23/1395443323.db2.gz SXUXRTPINYPJPA-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC001399723668 1395443326 /nfs/dbraw/zinc/44/33/26/1395443326.db2.gz SXUXRTPINYPJPA-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC001399723668 1395443329 /nfs/dbraw/zinc/44/33/29/1395443329.db2.gz SXUXRTPINYPJPA-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC001399723668 1395443332 /nfs/dbraw/zinc/44/33/32/1395443332.db2.gz SXUXRTPINYPJPA-GOSISDBHSA-N 2 2 346.450 2.120 20 30 EEEDLP CC(C)(C)[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001755834809 1407883740 /nfs/dbraw/zinc/88/37/40/1407883740.db2.gz LUIHKVICSWJKIU-KRWDZBQOSA-N 2 2 338.455 2.124 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412355 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DWKIRVOPRJULKP-ZCNNSNEGSA-N 2 2 339.483 2.077 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1c1ccccc1 ZINC001086593146 809037178 /nfs/dbraw/zinc/03/71/78/809037178.db2.gz DWKIRVOPRJULKP-ZCNNSNEGSA-N 2 2 339.483 2.077 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1c1ccccc1 ZINC001086593146 809037182 /nfs/dbraw/zinc/03/71/82/809037182.db2.gz DWKIRVOPRJULKP-ZCNNSNEGSA-N 2 2 339.483 2.077 20 30 EEEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497837195 1103170095 /nfs/dbraw/zinc/17/00/95/1103170095.db2.gz GNUQFGFFAQDNRF-SNVBAGLBSA-N 2 2 337.221 2.179 20 30 EEEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000174314368 231175743 /nfs/dbraw/zinc/17/57/43/231175743.db2.gz ZHECHSGLXLWDQF-UHFFFAOYSA-N 2 2 341.411 2.152 20 30 EEEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779437 530064379 /nfs/dbraw/zinc/06/43/79/530064379.db2.gz YWMZMSKWHAPRCP-HKUYNNGSSA-N 2 2 340.471 2.349 20 30 EEEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779437 530064380 /nfs/dbraw/zinc/06/43/80/530064380.db2.gz YWMZMSKWHAPRCP-HKUYNNGSSA-N 2 2 340.471 2.349 20 30 EEEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779437 530064381 /nfs/dbraw/zinc/06/43/81/530064381.db2.gz YWMZMSKWHAPRCP-HKUYNNGSSA-N 2 2 340.471 2.349 20 30 EEEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)CC[C@@H]21 ZINC000158779437 530064382 /nfs/dbraw/zinc/06/43/82/530064382.db2.gz YWMZMSKWHAPRCP-HKUYNNGSSA-N 2 2 340.471 2.349 20 30 EEEDLP Cc1oc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C#N)c1C ZINC000118868401 221199359 /nfs/dbraw/zinc/19/93/59/221199359.db2.gz MHYSUFAGUUAQAS-UHFFFAOYSA-N 2 2 332.448 2.370 20 30 EEEDLP CCCNC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181548341 323349780 /nfs/dbraw/zinc/34/97/80/323349780.db2.gz RADGGTGPUABULL-UHFFFAOYSA-N 2 2 328.460 2.029 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000535659857 468316295 /nfs/dbraw/zinc/31/62/95/468316295.db2.gz ZTYUORGGSNDPHH-OAHLLOKOSA-N 2 2 334.383 2.331 20 30 EEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000535659857 468316301 /nfs/dbraw/zinc/31/63/01/468316301.db2.gz ZTYUORGGSNDPHH-OAHLLOKOSA-N 2 2 334.383 2.331 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)OCc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000491242758 468332695 /nfs/dbraw/zinc/33/26/95/468332695.db2.gz SDLSPXFRRZJSKP-UHFFFAOYSA-N 2 2 337.423 2.320 20 30 EEEDLP C#C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000491263543 468336875 /nfs/dbraw/zinc/33/68/75/468336875.db2.gz ASMDZCXYGGOHFF-KRWDZBQOSA-N 2 2 348.535 2.284 20 30 EEEDLP CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000069739055 463313316 /nfs/dbraw/zinc/31/33/16/463313316.db2.gz CWRNDGCEGDOQHF-MRXNPFEDSA-N 2 2 343.431 2.071 20 30 EEEDLP CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000069739055 463313317 /nfs/dbraw/zinc/31/33/17/463313317.db2.gz CWRNDGCEGDOQHF-MRXNPFEDSA-N 2 2 343.431 2.071 20 30 EEEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264068782 464279262 /nfs/dbraw/zinc/27/92/62/464279262.db2.gz CNQFWSBTXHGNBQ-OAHLLOKOSA-N 2 2 332.473 2.464 20 30 EEEDLP CN(C)c1cc[nH+]c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000301684069 466008799 /nfs/dbraw/zinc/00/87/99/466008799.db2.gz KQIXDTVYHOCKJN-UHFFFAOYSA-N 2 2 336.443 2.127 20 30 EEEDLP CN(C)c1cc[nH+]c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000301684069 466008802 /nfs/dbraw/zinc/00/88/02/466008802.db2.gz KQIXDTVYHOCKJN-UHFFFAOYSA-N 2 2 336.443 2.127 20 30 EEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000581922537 468500631 /nfs/dbraw/zinc/50/06/31/468500631.db2.gz VAKIGMMVPQWHTM-QGZVFWFLSA-N 2 2 335.492 2.272 20 30 EEEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000581922537 468500637 /nfs/dbraw/zinc/50/06/37/468500637.db2.gz VAKIGMMVPQWHTM-QGZVFWFLSA-N 2 2 335.492 2.272 20 30 EEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127366 468234885 /nfs/dbraw/zinc/23/48/85/468234885.db2.gz DOWZZGLWWQKCAA-KXBFYZLASA-N 2 2 343.475 2.401 20 30 EEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000559641576 468750452 /nfs/dbraw/zinc/75/04/52/468750452.db2.gz ZBRNEJVHYKRNME-INIZCTEOSA-N 2 2 329.444 2.122 20 30 EEEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000559641576 468750455 /nfs/dbraw/zinc/75/04/55/468750455.db2.gz ZBRNEJVHYKRNME-INIZCTEOSA-N 2 2 329.444 2.122 20 30 EEEDLP C=CCC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664131081 471649003 /nfs/dbraw/zinc/64/90/03/471649003.db2.gz VZUFUFLEZWPEAU-INIZCTEOSA-N 2 2 334.508 2.343 20 30 EEEDLP C=CCC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664131081 471649005 /nfs/dbraw/zinc/64/90/05/471649005.db2.gz VZUFUFLEZWPEAU-INIZCTEOSA-N 2 2 334.508 2.343 20 30 EEEDLP C=CCCn1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nn1 ZINC000656770470 471837124 /nfs/dbraw/zinc/83/71/24/471837124.db2.gz CLOVQMVOVWRWTR-KRWDZBQOSA-N 2 2 341.463 2.002 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000665700056 472142441 /nfs/dbraw/zinc/14/24/41/472142441.db2.gz OARJISYQMCLQPS-HZPDHXFCSA-N 2 2 345.491 2.136 20 30 EEEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000665700056 472142447 /nfs/dbraw/zinc/14/24/47/472142447.db2.gz OARJISYQMCLQPS-HZPDHXFCSA-N 2 2 345.491 2.136 20 30 EEEDLP CC#CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000155325120 526307801 /nfs/dbraw/zinc/30/78/01/526307801.db2.gz ATASWAGPWDAZPD-IBGZPJMESA-N 2 2 326.488 2.329 20 30 EEEDLP CC#CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000155325120 526307804 /nfs/dbraw/zinc/30/78/04/526307804.db2.gz ATASWAGPWDAZPD-IBGZPJMESA-N 2 2 326.488 2.329 20 30 EEEDLP CC(C)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000181966931 529081815 /nfs/dbraw/zinc/08/18/15/529081815.db2.gz WWMZQUCDDOXHEX-IBGZPJMESA-N 2 2 340.471 2.122 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[NH+](CC)CC)cs2)CC1 ZINC000742360733 577871762 /nfs/dbraw/zinc/87/17/62/577871762.db2.gz NBZGNTDBHNFHQO-UHFFFAOYSA-N 2 2 334.489 2.269 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000746502026 577929086 /nfs/dbraw/zinc/92/90/86/577929086.db2.gz NWKSRCCDJXOZFH-HXUWFJFHSA-N 2 2 343.446 2.034 20 30 EEEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000969689894 675168058 /nfs/dbraw/zinc/16/80/58/675168058.db2.gz LVOSBGMDRADMSH-JFIYKMOQSA-N 2 2 342.487 2.167 20 30 EEEDLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC000970128589 675540518 /nfs/dbraw/zinc/54/05/18/675540518.db2.gz HMHWWSNFRRPRJH-CRAIPNDOSA-N 2 2 337.427 2.097 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319246 675787974 /nfs/dbraw/zinc/78/79/74/675787974.db2.gz SEACAOGCMVBXCJ-LSDHHAIUSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319246 675787976 /nfs/dbraw/zinc/78/79/76/675787976.db2.gz SEACAOGCMVBXCJ-LSDHHAIUSA-N 2 2 327.900 2.297 20 30 EEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000971552031 676621982 /nfs/dbraw/zinc/62/19/82/676621982.db2.gz NBFDPPCWSDHHHA-KZNAEPCWSA-N 2 2 342.487 2.263 20 30 EEEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000971552031 676621983 /nfs/dbraw/zinc/62/19/83/676621983.db2.gz NBFDPPCWSDHHHA-KZNAEPCWSA-N 2 2 342.487 2.263 20 30 EEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000088214240 679743053 /nfs/dbraw/zinc/74/30/53/679743053.db2.gz XELUWBRXVONHEP-HUUCEWRRSA-N 2 2 334.512 2.366 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(CC)CC ZINC001024486648 679967886 /nfs/dbraw/zinc/96/78/86/679967886.db2.gz DWKJDDJKDJUAQC-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(CC)CC ZINC001024486648 679967891 /nfs/dbraw/zinc/96/78/91/679967891.db2.gz DWKJDDJKDJUAQC-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(CC)CC ZINC001024486648 679967889 /nfs/dbraw/zinc/96/78/89/679967889.db2.gz DWKJDDJKDJUAQC-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(CC)CC ZINC001024486648 679967893 /nfs/dbraw/zinc/96/78/93/679967893.db2.gz DWKJDDJKDJUAQC-OALUTQOASA-N 2 2 333.520 2.491 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)sc1C ZINC001038368514 684563296 /nfs/dbraw/zinc/56/32/96/684563296.db2.gz QJGCFCDJFNOFDA-MSOLQXFVSA-N 2 2 345.512 2.153 20 30 EEEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)sc1C ZINC001038368514 684563298 /nfs/dbraw/zinc/56/32/98/684563298.db2.gz QJGCFCDJFNOFDA-MSOLQXFVSA-N 2 2 345.512 2.153 20 30 EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(C)sc1C ZINC001038368514 684563300 /nfs/dbraw/zinc/56/33/00/684563300.db2.gz QJGCFCDJFNOFDA-MSOLQXFVSA-N 2 2 345.512 2.153 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(C)sc1C ZINC001038368514 684563302 /nfs/dbraw/zinc/56/33/02/684563302.db2.gz QJGCFCDJFNOFDA-MSOLQXFVSA-N 2 2 345.512 2.153 20 30 EEEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974604460 685106867 /nfs/dbraw/zinc/10/68/67/685106867.db2.gz RDAFRNXNLWVQTN-BRWVUGGUSA-N 2 2 342.487 2.167 20 30 EEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974604460 685106869 /nfs/dbraw/zinc/10/68/69/685106869.db2.gz RDAFRNXNLWVQTN-BRWVUGGUSA-N 2 2 342.487 2.167 20 30 EEEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943645550 1192435745 /nfs/dbraw/zinc/43/57/45/1192435745.db2.gz FGUNHIQOTYKYBB-AEFFLSMTSA-N 2 2 338.455 2.035 20 30 EEEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943645550 1192435748 /nfs/dbraw/zinc/43/57/48/1192435748.db2.gz FGUNHIQOTYKYBB-AEFFLSMTSA-N 2 2 338.455 2.035 20 30 EEEDLP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001481520959 1181637803 /nfs/dbraw/zinc/63/78/03/1181637803.db2.gz KMZYNFUTEUWGKV-UHFFFAOYSA-N 2 2 338.883 2.276 20 30 EEEDLP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001481520959 1181637805 /nfs/dbraw/zinc/63/78/05/1181637805.db2.gz KMZYNFUTEUWGKV-UHFFFAOYSA-N 2 2 338.883 2.276 20 30 EEEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005609073 1196546087 /nfs/dbraw/zinc/54/60/87/1196546087.db2.gz AHIDIFUKWXMXQW-MRXNPFEDSA-N 2 2 330.476 2.335 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001108157201 1196717736 /nfs/dbraw/zinc/71/77/36/1196717736.db2.gz QUKFGLILNNBRQK-QUCCMNQESA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001108157201 1196717738 /nfs/dbraw/zinc/71/77/38/1196717738.db2.gz QUKFGLILNNBRQK-QUCCMNQESA-N 2 2 349.519 2.177 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001108157201 1196717740 /nfs/dbraw/zinc/71/77/40/1196717740.db2.gz QUKFGLILNNBRQK-QUCCMNQESA-N 2 2 349.519 2.177 20 30 EEEDLP 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C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@@H]21 ZINC001036841686 795423579 /nfs/dbraw/zinc/42/35/79/795423579.db2.gz BPPSKXVSALLHHZ-WMZOPIPTSA-N 2 2 338.455 2.294 20 30 EEEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC[C@@H]21 ZINC001036841686 795423584 /nfs/dbraw/zinc/42/35/84/795423584.db2.gz BPPSKXVSALLHHZ-WMZOPIPTSA-N 2 2 338.455 2.294 20 30 EEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC000921703404 795496140 /nfs/dbraw/zinc/49/61/40/795496140.db2.gz VNWQEQKOHWZAGF-OAHLLOKOSA-N 2 2 332.444 2.367 20 30 EEEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491966 795707041 /nfs/dbraw/zinc/70/70/41/795707041.db2.gz ZYJGZAFVNWYSGR-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106677651 796088894 /nfs/dbraw/zinc/08/88/94/796088894.db2.gz BAOPHJFEONRINB-QBPKDAKJSA-N 2 2 330.476 2.174 20 30 EEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001172303340 796949708 /nfs/dbraw/zinc/94/97/08/796949708.db2.gz XAGJVXAXJNUPBF-RRQGHBQHSA-N 2 2 344.459 2.025 20 30 EEEDLP N#Cc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C23CCC3)cc1 ZINC001078761872 796986304 /nfs/dbraw/zinc/98/63/04/796986304.db2.gz RRZBZHGRCRVHLY-IAGOWNOFSA-N 2 2 349.438 2.041 20 30 EEEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001084673196 798361836 /nfs/dbraw/zinc/36/18/36/798361836.db2.gz KJRNHACRSBXYNS-YFHUEUNASA-N 2 2 328.460 2.023 20 30 EEEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001084673196 798361843 /nfs/dbraw/zinc/36/18/43/798361843.db2.gz KJRNHACRSBXYNS-YFHUEUNASA-N 2 2 328.460 2.023 20 30 EEEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001177356767 798907730 /nfs/dbraw/zinc/90/77/30/798907730.db2.gz ILZUBRLLUROZRL-SFHVURJKSA-N 2 2 342.487 2.077 20 30 EEEDLP N#CC1(NC(=O)CCc2[nH]cc[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC001178000437 799206709 /nfs/dbraw/zinc/20/67/09/799206709.db2.gz OLJPVMHIOXSPDP-UHFFFAOYSA-N 2 2 337.427 2.017 20 30 EEEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001179836095 800123784 /nfs/dbraw/zinc/12/37/84/800123784.db2.gz CHZVSBKMIXLUNE-RDJZCZTQSA-N 2 2 339.443 2.426 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001085204665 800238546 /nfs/dbraw/zinc/23/85/46/800238546.db2.gz CJCDMZHCBDHUEL-RKVPGOIHSA-N 2 2 345.491 2.383 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001085204665 800238547 /nfs/dbraw/zinc/23/85/47/800238547.db2.gz CJCDMZHCBDHUEL-RKVPGOIHSA-N 2 2 345.491 2.383 20 30 EEEDLP N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498660 802231853 /nfs/dbraw/zinc/23/18/53/802231853.db2.gz OHMVFRQHYKAPPD-RTBURBONSA-N 2 2 344.503 2.087 20 30 EEEDLP N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004498660 802231856 /nfs/dbraw/zinc/23/18/56/802231856.db2.gz OHMVFRQHYKAPPD-RTBURBONSA-N 2 2 344.503 2.087 20 30 EEEDLP C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001098437475 802956310 /nfs/dbraw/zinc/95/63/10/802956310.db2.gz YUEXJKLTWULNKL-UHFFFAOYSA-N 2 2 345.487 2.482 20 30 EEEDLP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001098437475 802956314 /nfs/dbraw/zinc/95/63/14/802956314.db2.gz YUEXJKLTWULNKL-UHFFFAOYSA-N 2 2 345.487 2.482 20 30 EEEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001108337272 803318756 /nfs/dbraw/zinc/31/87/56/803318756.db2.gz WVLJKRZUQSPEKT-IBGZPJMESA-N 2 2 339.524 2.282 20 30 EEEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001108337272 803318764 /nfs/dbraw/zinc/31/87/64/803318764.db2.gz WVLJKRZUQSPEKT-IBGZPJMESA-N 2 2 339.524 2.282 20 30 EEEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001113027515 807890266 /nfs/dbraw/zinc/89/02/66/807890266.db2.gz NJUPFUFZOMQFEY-QGZVFWFLSA-N 2 2 330.476 2.336 20 30 EEEDLP C[NH+]1CCN(C(=[NH2+])NC2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170361904 809907400 /nfs/dbraw/zinc/90/74/00/809907400.db2.gz JEYJRCUASGGKJM-UHFFFAOYSA-N 2 2 325.460 2.162 20 30 EEEDLP C[NH+]1CCC(CO)([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170375711 809929752 /nfs/dbraw/zinc/92/97/52/809929752.db2.gz DNXRSFQNJZJDHS-UHFFFAOYSA-N 2 2 327.472 2.437 20 30 EEEDLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001441022511 1094307261 /nfs/dbraw/zinc/30/72/61/1094307261.db2.gz IJOXHPMDQNNVEY-CQSZACIVSA-N 2 2 345.472 2.233 20 30 EEEDLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001441022511 1094307272 /nfs/dbraw/zinc/30/72/72/1094307272.db2.gz IJOXHPMDQNNVEY-CQSZACIVSA-N 2 2 345.472 2.233 20 30 EEEDLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC001496626221 1101230265 /nfs/dbraw/zinc/23/02/65/1101230265.db2.gz BNMOLWMRVAZHMC-GOSISDBHSA-N 2 2 339.443 2.063 20 30 EEEDLP Cn1c[nH+]cc1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000459435749 245119179 /nfs/dbraw/zinc/11/91/79/245119179.db2.gz IZEPVSCSYGYPGH-GOSISDBHSA-N 2 2 343.862 2.498 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664380 533162463 /nfs/dbraw/zinc/16/24/63/533162463.db2.gz RZKCSMBISRDCFI-FUHWJXTLSA-N 2 2 329.444 2.132 20 30 EEEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664380 533162470 /nfs/dbraw/zinc/16/24/70/533162470.db2.gz RZKCSMBISRDCFI-FUHWJXTLSA-N 2 2 329.444 2.132 20 30 EEEDLP N#Cc1cccc(NC(=O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000343299207 161121680 /nfs/dbraw/zinc/12/16/80/161121680.db2.gz GFFIHVQEUUYLEH-UHFFFAOYSA-N 2 2 337.427 2.496 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292964925 267138231 /nfs/dbraw/zinc/13/82/31/267138231.db2.gz LSJXFLHLXXLVBA-BEFAXECRSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292964925 267138232 /nfs/dbraw/zinc/13/82/32/267138232.db2.gz LSJXFLHLXXLVBA-BEFAXECRSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292964925 267138233 /nfs/dbraw/zinc/13/82/33/267138233.db2.gz LSJXFLHLXXLVBA-BEFAXECRSA-N 2 2 326.444 2.303 20 30 EEEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292964925 267138234 /nfs/dbraw/zinc/13/82/34/267138234.db2.gz LSJXFLHLXXLVBA-BEFAXECRSA-N 2 2 326.444 2.303 20 30 EEEDLP CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1(C#N)CCCCC1 ZINC000328884159 465156185 /nfs/dbraw/zinc/15/61/85/465156185.db2.gz YKJOGTHCSGFLQM-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1(C#N)CCCCC1 ZINC000328884159 465156191 /nfs/dbraw/zinc/15/61/91/465156191.db2.gz YKJOGTHCSGFLQM-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1(C#N)CCCCC1 ZINC000328884159 465156194 /nfs/dbraw/zinc/15/61/94/465156194.db2.gz YKJOGTHCSGFLQM-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1(C#N)CCCCC1 ZINC000328884159 465156198 /nfs/dbraw/zinc/15/61/98/465156198.db2.gz YKJOGTHCSGFLQM-GOSISDBHSA-N 2 2 332.492 2.089 20 30 EEEDLP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000329063846 465220732 /nfs/dbraw/zinc/22/07/32/465220732.db2.gz KJRYDCHHWYTDQI-INIZCTEOSA-N 2 2 343.475 2.135 20 30 EEEDLP C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329269409 465285449 /nfs/dbraw/zinc/28/54/49/465285449.db2.gz FDXXIYLVINUINS-GJZGRUSLSA-N 2 2 331.464 2.266 20 30 EEEDLP C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329269409 465285455 /nfs/dbraw/zinc/28/54/55/465285455.db2.gz FDXXIYLVINUINS-GJZGRUSLSA-N 2 2 331.464 2.266 20 30 EEEDLP C=CCC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000120076678 462960505 /nfs/dbraw/zinc/96/05/05/462960505.db2.gz WTVZDERFMMWZIR-SFHVURJKSA-N 2 2 329.492 2.323 20 30 EEEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080972906 463376646 /nfs/dbraw/zinc/37/66/46/463376646.db2.gz FBWWBJHEZPDJQI-ZDUSSCGKSA-N 2 2 327.388 2.309 20 30 EEEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080972906 463376650 /nfs/dbraw/zinc/37/66/50/463376650.db2.gz FBWWBJHEZPDJQI-ZDUSSCGKSA-N 2 2 327.388 2.309 20 30 EEEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000057153199 463457856 /nfs/dbraw/zinc/45/78/56/463457856.db2.gz AXDOMIKUNFDJLR-UHFFFAOYSA-N 2 2 346.500 2.413 20 30 EEEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CCCCC1 ZINC000264119981 464284837 /nfs/dbraw/zinc/28/48/37/464284837.db2.gz QTPLZLQGAOKGFM-SFHVURJKSA-N 2 2 330.476 2.124 20 30 EEEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CCCCC1 ZINC000264119981 464284843 /nfs/dbraw/zinc/28/48/43/464284843.db2.gz QTPLZLQGAOKGFM-SFHVURJKSA-N 2 2 330.476 2.124 20 30 EEEDLP CC[C@H](C)NC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264130725 464286776 /nfs/dbraw/zinc/28/67/76/464286776.db2.gz XZETZDQTRQEMKE-SFHVURJKSA-N 2 2 345.535 2.287 20 30 EEEDLP COC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188676246 464339619 /nfs/dbraw/zinc/33/96/19/464339619.db2.gz FVPGTMMWXFHGDI-UHFFFAOYSA-N 2 2 327.428 2.065 20 30 EEEDLP C=C1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000264485823 464344959 /nfs/dbraw/zinc/34/49/59/464344959.db2.gz RHWNAEVEHDSNDV-HKUYNNGSSA-N 2 2 327.472 2.418 20 30 EEEDLP C=C1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264485823 464344967 /nfs/dbraw/zinc/34/49/67/464344967.db2.gz RHWNAEVEHDSNDV-HKUYNNGSSA-N 2 2 327.472 2.418 20 30 EEEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](C#N)CCC#N ZINC000285469634 464575577 /nfs/dbraw/zinc/57/55/77/464575577.db2.gz NOWPWEHSVBJSFZ-FQEVSTJZSA-N 2 2 339.487 2.180 20 30 EEEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](C#N)CCC#N ZINC000285469634 464575583 /nfs/dbraw/zinc/57/55/83/464575583.db2.gz NOWPWEHSVBJSFZ-FQEVSTJZSA-N 2 2 339.487 2.180 20 30 EEEDLP C#CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000274250036 464739262 /nfs/dbraw/zinc/73/92/62/464739262.db2.gz ZMBLDGYVJJBFLO-UHFFFAOYSA-N 2 2 343.496 2.272 20 30 EEEDLP C#CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000274250036 464739267 /nfs/dbraw/zinc/73/92/67/464739267.db2.gz ZMBLDGYVJJBFLO-UHFFFAOYSA-N 2 2 343.496 2.272 20 30 EEEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330182423 465560809 /nfs/dbraw/zinc/56/08/09/465560809.db2.gz OYTKRMVYYSISPN-OWCLPIDISA-N 2 2 347.507 2.458 20 30 EEEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330182423 465560812 /nfs/dbraw/zinc/56/08/12/465560812.db2.gz OYTKRMVYYSISPN-OWCLPIDISA-N 2 2 347.507 2.458 20 30 EEEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330182423 465560817 /nfs/dbraw/zinc/56/08/17/465560817.db2.gz OYTKRMVYYSISPN-OWCLPIDISA-N 2 2 347.507 2.458 20 30 EEEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330182423 465560827 /nfs/dbraw/zinc/56/08/27/465560827.db2.gz OYTKRMVYYSISPN-OWCLPIDISA-N 2 2 347.507 2.458 20 30 EEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)cc1 ZINC000591309711 468444256 /nfs/dbraw/zinc/44/42/56/468444256.db2.gz AOWNWYUBCHNZHL-UHFFFAOYSA-N 2 2 349.438 2.367 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000330569938 465709665 /nfs/dbraw/zinc/70/96/65/465709665.db2.gz MHAYRJNLQLROLF-XLMAVXFVSA-N 2 2 331.464 2.209 20 30 EEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000330569938 465709673 /nfs/dbraw/zinc/70/96/73/465709673.db2.gz MHAYRJNLQLROLF-XLMAVXFVSA-N 2 2 331.464 2.209 20 30 EEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370150615 466777611 /nfs/dbraw/zinc/77/76/11/466777611.db2.gz SDQOUDWHDOFEJT-VQIMIIECSA-N 2 2 342.487 2.025 20 30 EEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370150615 466777617 /nfs/dbraw/zinc/77/76/17/466777617.db2.gz SDQOUDWHDOFEJT-VQIMIIECSA-N 2 2 342.487 2.025 20 30 EEEDLP CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377016154 466998867 /nfs/dbraw/zinc/99/88/67/466998867.db2.gz RNEXBKOBIQQCRE-KRWDZBQOSA-N 2 2 349.523 2.126 20 30 EEEDLP CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377016154 466998870 /nfs/dbraw/zinc/99/88/70/466998870.db2.gz RNEXBKOBIQQCRE-KRWDZBQOSA-N 2 2 349.523 2.126 20 30 EEEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000489432214 468136433 /nfs/dbraw/zinc/13/64/33/468136433.db2.gz JDIPFCVBMBIGNI-MRXNPFEDSA-N 2 2 333.501 2.433 20 30 EEEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000489432214 468136435 /nfs/dbraw/zinc/13/64/35/468136435.db2.gz JDIPFCVBMBIGNI-MRXNPFEDSA-N 2 2 333.501 2.433 20 30 EEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000566129952 468144079 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EEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000730271117 577013835 /nfs/dbraw/zinc/01/38/35/577013835.db2.gz LCPCDBLWIRNLHL-IRXDYDNUSA-N 2 2 333.863 2.157 20 30 EEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000730271117 577013837 /nfs/dbraw/zinc/01/38/37/577013837.db2.gz LCPCDBLWIRNLHL-IRXDYDNUSA-N 2 2 333.863 2.157 20 30 EEEDLP C=C1CC[NH+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000731033019 577076583 /nfs/dbraw/zinc/07/65/83/577076583.db2.gz UIYIVVYKASYZCO-UHFFFAOYSA-N 2 2 342.487 2.419 20 30 EEEDLP Cc1ccn(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(=O)c1C#N ZINC000758251127 577620209 /nfs/dbraw/zinc/62/02/09/577620209.db2.gz XGWZROBWGLKZRA-UHFFFAOYSA-N 2 2 339.443 2.375 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000746499153 577928942 /nfs/dbraw/zinc/92/89/42/577928942.db2.gz GJEQWJVDNPYZAA-INIZCTEOSA-N 2 2 339.439 2.203 20 30 EEEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000746499153 577928943 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NIFWTUTYMHDSPZ-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974752016 685401405 /nfs/dbraw/zinc/40/14/05/685401405.db2.gz NIFWTUTYMHDSPZ-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974752016 685401409 /nfs/dbraw/zinc/40/14/09/685401409.db2.gz NIFWTUTYMHDSPZ-YOEHRIQHSA-N 2 2 330.476 2.226 20 30 EEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@H]1CCCS1 ZINC000262000304 682773528 /nfs/dbraw/zinc/77/35/28/682773528.db2.gz UDVVGMIBNYWGOE-OAHLLOKOSA-N 2 2 344.488 2.136 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000365633397 683524281 /nfs/dbraw/zinc/52/42/81/683524281.db2.gz VRNNVQJZSMOCHW-WMZOPIPTSA-N 2 2 349.438 2.277 20 30 EEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000365633397 683524286 /nfs/dbraw/zinc/52/42/86/683524286.db2.gz VRNNVQJZSMOCHW-WMZOPIPTSA-N 2 2 349.438 2.277 20 30 EEEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027653172 693801812 /nfs/dbraw/zinc/80/18/12/693801812.db2.gz WNHSOVMIVZIYHG-AWEZNQCLSA-N 2 2 336.867 2.437 20 30 EEEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027653172 693801817 /nfs/dbraw/zinc/80/18/17/693801817.db2.gz WNHSOVMIVZIYHG-AWEZNQCLSA-N 2 2 336.867 2.437 20 30 EEEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001026390673 684538311 /nfs/dbraw/zinc/53/83/11/684538311.db2.gz VJSUELDNLJAROR-QXAKKESOSA-N 2 2 336.439 2.499 20 30 EEEDLP [NH2+]=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCSCC1 ZINC000263178286 689436394 /nfs/dbraw/zinc/43/63/94/689436394.db2.gz TUOHGMXYGRWWFB-UHFFFAOYSA-N 2 2 335.864 2.389 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H]1C ZINC000987188241 689459799 /nfs/dbraw/zinc/45/97/99/689459799.db2.gz YPORORFSNXDFEU-NVXWUHKLSA-N 2 2 326.444 2.340 20 30 EEEDLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001266341179 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SHLFCASRUBRHSZ-KRWDZBQOSA-N 2 2 330.476 2.137 20 30 EEEDLP C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272673020 1191014403 /nfs/dbraw/zinc/01/44/03/1191014403.db2.gz KXGHAFGZTVYKHD-LJQANCHMSA-N 2 2 338.411 2.090 20 30 EEEDLP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272673020 1191014406 /nfs/dbraw/zinc/01/44/06/1191014406.db2.gz KXGHAFGZTVYKHD-LJQANCHMSA-N 2 2 338.411 2.090 20 30 EEEDLP C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272673017 1191014554 /nfs/dbraw/zinc/01/45/54/1191014554.db2.gz KXGHAFGZTVYKHD-IBGZPJMESA-N 2 2 338.411 2.090 20 30 EEEDLP C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272673017 1191014557 /nfs/dbraw/zinc/01/45/57/1191014557.db2.gz KXGHAFGZTVYKHD-IBGZPJMESA-N 2 2 338.411 2.090 20 30 EEEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685196 1195067800 /nfs/dbraw/zinc/06/78/00/1195067800.db2.gz OUDNINCMYSDCPO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685196 1195067805 /nfs/dbraw/zinc/06/78/05/1195067805.db2.gz OUDNINCMYSDCPO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001033685196 1195067807 /nfs/dbraw/zinc/06/78/07/1195067807.db2.gz OUDNINCMYSDCPO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001033685196 1195067812 /nfs/dbraw/zinc/06/78/12/1195067812.db2.gz OUDNINCMYSDCPO-INIZCTEOSA-N 2 2 333.501 2.215 20 30 EEEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034003559 1195645612 /nfs/dbraw/zinc/64/56/12/1195645612.db2.gz DVBIDZUVYKAWGU-KRWDZBQOSA-N 2 2 339.443 2.380 20 30 EEEDLP C=C(Br)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702544117 1196008981 /nfs/dbraw/zinc/00/89/81/1196008981.db2.gz HXKWYCCUQRKTCE-OAHLLOKOSA-N 2 2 325.250 2.122 20 30 EEEDLP C=C(Br)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702544117 1196008983 /nfs/dbraw/zinc/00/89/83/1196008983.db2.gz HXKWYCCUQRKTCE-OAHLLOKOSA-N 2 2 325.250 2.122 20 30 EEEDLP N#Cc1ccc(F)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702580225 1196019865 /nfs/dbraw/zinc/01/98/65/1196019865.db2.gz RPKWAUJRMGTZHX-FQEVSTJZSA-N 2 2 339.414 2.424 20 30 EEEDLP N#Cc1ccc(F)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702580225 1196019870 /nfs/dbraw/zinc/01/98/70/1196019870.db2.gz RPKWAUJRMGTZHX-FQEVSTJZSA-N 2 2 339.414 2.424 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005625862 1196570289 /nfs/dbraw/zinc/57/02/89/1196570289.db2.gz URKGGUBCWPTMMY-HNNXBMFYSA-N 2 2 330.476 2.322 20 30 EEEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005625862 1196570291 /nfs/dbraw/zinc/57/02/91/1196570291.db2.gz URKGGUBCWPTMMY-HNNXBMFYSA-N 2 2 330.476 2.322 20 30 EEEDLP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234707 1199413427 /nfs/dbraw/zinc/41/34/27/1199413427.db2.gz 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2.490 20 30 EEEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001755368295 1407370636 /nfs/dbraw/zinc/37/06/36/1407370636.db2.gz OUTUGSNZWJNHLP-OALUTQOASA-N 2 2 327.472 2.283 20 30 EEEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001755368295 1407370642 /nfs/dbraw/zinc/37/06/42/1407370642.db2.gz OUTUGSNZWJNHLP-OALUTQOASA-N 2 2 327.472 2.283 20 30 EEEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001104865675 765458014 /nfs/dbraw/zinc/45/80/14/765458014.db2.gz VDMSGJGLQYCYHV-SJLPKXTDSA-N 2 2 336.439 2.193 20 30 EEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089420856 768955523 /nfs/dbraw/zinc/95/55/23/768955523.db2.gz QAYXIOXUYQFPQW-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089420856 768955526 /nfs/dbraw/zinc/95/55/26/768955526.db2.gz QAYXIOXUYQFPQW-HZPDHXFCSA-N 2 2 330.476 2.238 20 30 EEEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089658929 774056197 /nfs/dbraw/zinc/05/61/97/774056197.db2.gz PSZYJFRWIRZSDD-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089658929 774056201 /nfs/dbraw/zinc/05/62/01/774056201.db2.gz PSZYJFRWIRZSDD-DLBZAZTESA-N 2 2 342.487 2.076 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980207730 774092233 /nfs/dbraw/zinc/09/22/33/774092233.db2.gz KIYSPIAVVUIWKM-BBWFWOEESA-N 2 2 330.476 2.146 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980207730 774092240 /nfs/dbraw/zinc/09/22/40/774092240.db2.gz KIYSPIAVVUIWKM-BBWFWOEESA-N 2 2 330.476 2.146 20 30 EEEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726175 774762557 /nfs/dbraw/zinc/76/25/57/774762557.db2.gz NSNIFSHBMQSOAE-OAHLLOKOSA-N 2 2 328.460 2.001 20 30 EEEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726175 774762561 /nfs/dbraw/zinc/76/25/61/774762561.db2.gz NSNIFSHBMQSOAE-OAHLLOKOSA-N 2 2 328.460 2.001 20 30 EEEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802996 775832855 /nfs/dbraw/zinc/83/28/55/775832855.db2.gz JMWPKPUTFBBORX-NXOAAHMSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802996 775832870 /nfs/dbraw/zinc/83/28/70/775832870.db2.gz JMWPKPUTFBBORX-NXOAAHMSSA-N 2 2 328.460 2.087 20 30 EEEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981169012 776661114 /nfs/dbraw/zinc/66/11/14/776661114.db2.gz XVWDOFNIPVJFOW-LSDHHAIUSA-N 2 2 337.851 2.402 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820353 776912102 /nfs/dbraw/zinc/91/21/02/776912102.db2.gz LWJZGUVOFQHORV-HPBDAGMYSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089820353 776912108 /nfs/dbraw/zinc/91/21/08/776912108.db2.gz LWJZGUVOFQHORV-HPBDAGMYSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820353 776912114 /nfs/dbraw/zinc/91/21/14/776912114.db2.gz LWJZGUVOFQHORV-HPBDAGMYSA-N 2 2 328.460 2.087 20 30 EEEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089820353 776912121 /nfs/dbraw/zinc/91/21/21/776912121.db2.gz LWJZGUVOFQHORV-HPBDAGMYSA-N 2 2 328.460 2.087 20 30 EEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236780421 779864251 /nfs/dbraw/zinc/86/42/51/779864251.db2.gz UONBLMDCNUKUKM-LPHOPBHVSA-N 2 2 331.460 2.424 20 30 EEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236780421 779864258 /nfs/dbraw/zinc/86/42/58/779864258.db2.gz UONBLMDCNUKUKM-LPHOPBHVSA-N 2 2 331.460 2.424 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087523469 781665688 /nfs/dbraw/zinc/66/56/88/781665688.db2.gz XBLNFFKMLKJNAA-OTWHNJEPSA-N 2 2 340.471 2.122 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1C#N ZINC001087523469 781665689 /nfs/dbraw/zinc/66/56/89/781665689.db2.gz XBLNFFKMLKJNAA-OTWHNJEPSA-N 2 2 340.471 2.122 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087523469 781665691 /nfs/dbraw/zinc/66/56/91/781665691.db2.gz XBLNFFKMLKJNAA-OTWHNJEPSA-N 2 2 340.471 2.122 20 30 EEEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087523469 781665693 /nfs/dbraw/zinc/66/56/93/781665693.db2.gz XBLNFFKMLKJNAA-OTWHNJEPSA-N 2 2 340.471 2.122 20 30 EEEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997747180 790968484 /nfs/dbraw/zinc/96/84/84/790968484.db2.gz FSWWJLBDGDEDLM-GOEBONIOSA-N 2 2 328.460 2.070 20 30 EEEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223231 784103344 /nfs/dbraw/zinc/10/33/44/784103344.db2.gz PIVTUMBKMXQFEK-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035223231 784103348 /nfs/dbraw/zinc/10/33/48/784103348.db2.gz PIVTUMBKMXQFEK-HNNXBMFYSA-N 2 2 328.460 2.330 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035721146 785016007 /nfs/dbraw/zinc/01/60/07/785016007.db2.gz QUEKORRGBITXRN-OAHLLOKOSA-N 2 2 325.884 2.004 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035839392 785265316 /nfs/dbraw/zinc/26/53/16/785265316.db2.gz SIEICHOBOXTQIS-HNNXBMFYSA-N 2 2 325.884 2.005 20 30 EEEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035839392 785265319 /nfs/dbraw/zinc/26/53/19/785265319.db2.gz SIEICHOBOXTQIS-HNNXBMFYSA-N 2 2 325.884 2.005 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC000995847481 785748748 /nfs/dbraw/zinc/74/87/48/785748748.db2.gz NZXLCVNRRODIBM-INIZCTEOSA-N 2 2 330.476 2.165 20 30 EEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC000995847486 785748906 /nfs/dbraw/zinc/74/89/06/785748906.db2.gz NZXLCVNRRODIBM-MRXNPFEDSA-N 2 2 330.476 2.165 20 30 EEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000996477811 786428735 /nfs/dbraw/zinc/42/87/35/786428735.db2.gz AJYNRIUCTGUQGE-KRWDZBQOSA-N 2 2 339.443 2.284 20 30 EEEDLP C=CC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593458 789559149 /nfs/dbraw/zinc/55/91/49/789559149.db2.gz ZQOAMQOYMLHXDV-IAGOWNOFSA-N 2 2 346.475 2.008 20 30 EEEDLP C=CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001099593458 789559156 /nfs/dbraw/zinc/55/91/56/789559156.db2.gz ZQOAMQOYMLHXDV-IAGOWNOFSA-N 2 2 346.475 2.008 20 30 EEEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954234 789803514 /nfs/dbraw/zinc/80/35/14/789803514.db2.gz KSVUUDWBDMNLRG-QFBILLFUSA-N 2 2 348.491 2.180 20 30 EEEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001107954234 789803520 /nfs/dbraw/zinc/80/35/20/789803520.db2.gz KSVUUDWBDMNLRG-QFBILLFUSA-N 2 2 348.491 2.180 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992119065 792780813 /nfs/dbraw/zinc/78/08/13/792780813.db2.gz PUALBRSNMKFZFE-UXLLHSPISA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992119065 792780823 /nfs/dbraw/zinc/78/08/23/792780823.db2.gz PUALBRSNMKFZFE-UXLLHSPISA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992119065 792780832 /nfs/dbraw/zinc/78/08/32/792780832.db2.gz PUALBRSNMKFZFE-UXLLHSPISA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992119065 792780842 /nfs/dbraw/zinc/78/08/42/792780842.db2.gz PUALBRSNMKFZFE-UXLLHSPISA-N 2 2 325.884 2.336 20 30 EEEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958178 794478427 /nfs/dbraw/zinc/47/84/27/794478427.db2.gz NDMLJMGXNOPAET-BZUAXINKSA-N 2 2 330.476 2.480 20 30 EEEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092958178 794478431 /nfs/dbraw/zinc/47/84/31/794478431.db2.gz NDMLJMGXNOPAET-BZUAXINKSA-N 2 2 330.476 2.480 20 30 EEEDLP N#Cc1cccc(C[N@H+]2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)c1 ZINC000992525079 794499709 /nfs/dbraw/zinc/49/97/09/794499709.db2.gz VVCYNMZIYQGMSO-UYAOXDASSA-N 2 2 349.438 2.068 20 30 EEEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992532411 794530549 /nfs/dbraw/zinc/53/05/49/794530549.db2.gz LYLBHIXFAJLQSW-ICSRJNTNSA-N 2 2 349.438 2.068 20 30 EEEDLP N#Cc1ccccc1C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992532411 794530554 /nfs/dbraw/zinc/53/05/54/794530554.db2.gz LYLBHIXFAJLQSW-ICSRJNTNSA-N 2 2 349.438 2.068 20 30 EEEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379993 795117888 /nfs/dbraw/zinc/11/78/88/795117888.db2.gz NZTUMDWHHIWBDP-SFHVURJKSA-N 2 2 328.460 2.231 20 30 EEEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379993 795117890 /nfs/dbraw/zinc/11/78/90/795117890.db2.gz NZTUMDWHHIWBDP-SFHVURJKSA-N 2 2 328.460 2.231 20 30 EEEDLP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381042 795119877 /nfs/dbraw/zinc/11/98/77/795119877.db2.gz DYZPXPKAIXKZLR-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381042 795119883 /nfs/dbraw/zinc/11/98/83/795119883.db2.gz DYZPXPKAIXKZLR-IBGZPJMESA-N 2 2 340.471 2.069 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001171919124 796799259 /nfs/dbraw/zinc/79/92/59/796799259.db2.gz WOLMMUPLDGGCLA-QZTJIDSGSA-N 2 2 339.524 2.328 20 30 EEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001171919124 796799263 /nfs/dbraw/zinc/79/92/63/796799263.db2.gz WOLMMUPLDGGCLA-QZTJIDSGSA-N 2 2 339.524 2.328 20 30 EEEDLP COCCC[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001172255102 796946015 /nfs/dbraw/zinc/94/60/15/796946015.db2.gz IARPVFOSGYQXET-UHFFFAOYSA-N 2 2 342.487 2.181 20 30 EEEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176143430 798346595 /nfs/dbraw/zinc/34/65/95/798346595.db2.gz DWLUSAQVTFPHCZ-MRXNPFEDSA-N 2 2 339.443 2.169 20 30 EEEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176144201 798346888 /nfs/dbraw/zinc/34/68/88/798346888.db2.gz NPJCPYRQLAOOJH-MRXNPFEDSA-N 2 2 339.443 2.169 20 30 EEEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001177372016 798887374 /nfs/dbraw/zinc/88/73/74/798887374.db2.gz NSBRTCBEIGXMTM-UHFFFAOYSA-N 2 2 344.503 2.375 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001178535139 799512344 /nfs/dbraw/zinc/51/23/44/799512344.db2.gz HIIOJXQSLJXGSP-SFHVURJKSA-N 2 2 345.491 2.080 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001178535139 799512349 /nfs/dbraw/zinc/51/23/49/799512349.db2.gz HIIOJXQSLJXGSP-SFHVURJKSA-N 2 2 345.491 2.080 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001180352829 800374088 /nfs/dbraw/zinc/37/40/88/800374088.db2.gz WPXHURDHLLHMQW-UHFFFAOYSA-N 2 2 347.528 2.396 20 30 EEEDLP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001180352829 800374094 /nfs/dbraw/zinc/37/40/94/800374094.db2.gz WPXHURDHLLHMQW-UHFFFAOYSA-N 2 2 347.528 2.396 20 30 EEEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184850600 802198952 /nfs/dbraw/zinc/19/89/52/802198952.db2.gz DVOPJLPVQCQOMO-IRXDYDNUSA-N 2 2 332.492 2.393 20 30 EEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704131 802852848 /nfs/dbraw/zinc/85/28/48/802852848.db2.gz QQWQPDYNADZHLA-IYBDPMFKSA-N 2 2 336.867 2.196 20 30 EEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704131 802852853 /nfs/dbraw/zinc/85/28/53/802852853.db2.gz QQWQPDYNADZHLA-IYBDPMFKSA-N 2 2 336.867 2.196 20 30 EEEDLP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001169136634 803629058 /nfs/dbraw/zinc/62/90/58/803629058.db2.gz MODSJOZMVITOEU-SQNIBIBYSA-N 2 2 329.444 2.325 20 30 EEEDLP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001169136634 803629059 /nfs/dbraw/zinc/62/90/59/803629059.db2.gz MODSJOZMVITOEU-SQNIBIBYSA-N 2 2 329.444 2.325 20 30 EEEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1 ZINC001109222537 805152693 /nfs/dbraw/zinc/15/26/93/805152693.db2.gz AKQXYWQKHNYNTB-SQNIBIBYSA-N 2 2 349.438 2.136 20 30 EEEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1 ZINC001109222537 805152700 /nfs/dbraw/zinc/15/27/00/805152700.db2.gz AKQXYWQKHNYNTB-SQNIBIBYSA-N 2 2 349.438 2.136 20 30 EEEDLP