smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)C[N+]23CCN(CC2)CC3)c(C)n1CCc1ccccc1 ZINC000007613012 717105472 /nfs/dbraw/zinc/10/54/72/717105472.db2.gz ZXSWZCKRYBGVRQ-UHFFFAOYSA-N 1 0 352.502 2.676 10 30 FFEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)NC[C@@H]1CCCO1 ZINC000249701932 717164839 /nfs/dbraw/zinc/16/48/39/717164839.db2.gz IMGZBWVFDFQNJW-HJPURHCSSA-O 1 0 374.461 2.549 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 ZINC000106034312 728509455 /nfs/dbraw/zinc/50/94/55/728509455.db2.gz GOCGJVAHIHSQMU-MRXNPFEDSA-N 1 0 353.507 2.837 10 30 FFEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000119407364 728593539 /nfs/dbraw/zinc/59/35/39/728593539.db2.gz UKUQVVWSQRKRDU-JKSUJKDBSA-N 1 0 352.475 2.663 10 30 FFEERO Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000330115448 970403309 /nfs/dbraw/zinc/40/33/09/970403309.db2.gz FQBGVYWCCFKVBQ-HKUYNNGSSA-N 1 0 372.513 2.517 10 30 FFEERO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000056898755 205232623 /nfs/dbraw/zinc/23/26/23/205232623.db2.gz URRAHSMDPCMOTH-LNLFQRSKSA-N 1 0 373.378 2.887 10 30 in-man FFEERO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174583 250247853 /nfs/dbraw/zinc/24/78/53/250247853.db2.gz XCZJEVUJBXMYNY-KGLIPLIRSA-N 1 0 372.860 2.542 10 30 FFEERO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)cc1 ZINC000329852064 258148715 /nfs/dbraw/zinc/14/87/15/258148715.db2.gz UJGIIEURMXAWGG-IBGZPJMESA-N 1 0 368.481 2.882 10 30 FFEERO N#Cc1c(NC(=O)CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)sc2c1CCCCC2 ZINC000333197999 258255435 /nfs/dbraw/zinc/25/54/35/258255435.db2.gz WTAXPYNLSBQOOB-ZNMIVQPWSA-N 1 0 373.522 2.920 10 30 FFEERO COC(=O)[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000103481625 508314746 /nfs/dbraw/zinc/31/47/46/508314746.db2.gz FGWJOVMZYZDYJW-HNNXBMFYSA-N 1 0 353.422 2.623 10 30 FFEERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C[C@@H]1CC ZINC000133498458 508407847 /nfs/dbraw/zinc/40/78/47/508407847.db2.gz ACRJYBBJBXBHSI-IRXDYDNUSA-N 1 0 374.485 2.942 10 30 FFEERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1OCCCC#N ZINC000128467885 508596747 /nfs/dbraw/zinc/59/67/47/508596747.db2.gz QGGHITUVNUUOOC-SFHVURJKSA-N 1 0 369.469 2.881 10 30 FFEERO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117495623 508602974 /nfs/dbraw/zinc/60/29/74/508602974.db2.gz KAZYMZHTYZGCQV-SFHVURJKSA-N 1 0 361.486 2.504 10 30 FFEERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123802062 508740319 /nfs/dbraw/zinc/74/03/19/508740319.db2.gz LTPZJJDYARHLOR-JXFKEZNVSA-N 1 0 360.465 2.601 10 30 FFEERO Cn1nccc1C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182729552 509397250 /nfs/dbraw/zinc/39/72/50/509397250.db2.gz BEDITZODDXOPFL-HXUWFJFHSA-N 1 0 363.465 2.667 10 30 FFEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000176436491 509509523 /nfs/dbraw/zinc/50/95/23/509509523.db2.gz DFEBSKIEINQPIG-QAPCUYQASA-N 1 0 360.527 2.819 10 30 FFEERO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000245536472 509989467 /nfs/dbraw/zinc/98/94/67/509989467.db2.gz LHMGUEHMYZHFMC-CVEARBPZSA-N 1 0 369.387 2.575 10 30 FFEERO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172543696 510783458 /nfs/dbraw/zinc/78/34/58/510783458.db2.gz MHBSNTVPVRBBKX-QGZVFWFLSA-N 1 0 370.497 2.500 10 30 FFEERO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247556001 510865507 /nfs/dbraw/zinc/86/55/07/510865507.db2.gz UADBYYYUSACDEP-IAGOWNOFSA-N 1 0 351.454 2.545 10 30 FFEERO C[C@H](NC(=O)[C@H](C)N1CCN(C)[C@@H](c2nccn2C)C1)c1ccccc1 ZINC000329966699 510888693 /nfs/dbraw/zinc/88/86/93/510888693.db2.gz VRJKREZXRSBWJV-XYJFISCASA-N 1 0 355.486 2.815 10 30 FFEERO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccccn1 ZINC000330340759 510969916 /nfs/dbraw/zinc/96/99/16/510969916.db2.gz YJPHEXKKOUWCNK-TXPKVOOTSA-N 1 0 370.501 2.805 10 30 FFEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2sccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000328635118 511901237 /nfs/dbraw/zinc/90/12/37/511901237.db2.gz UMKSBMWFNUXLFX-DOTOQJQBSA-N 1 0 371.510 2.898 10 30 FFEERO C[N@@H+](CC(=O)Nc1nncs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328634980 511901533 /nfs/dbraw/zinc/90/15/33/511901533.db2.gz NAAOZTMWJMEPFQ-VIFPVBQESA-N 1 0 374.392 2.536 10 30 FFEERO CN1CCO[C@@H]2CCN(C(=O)NCc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC000329130958 511990141 /nfs/dbraw/zinc/99/01/41/511990141.db2.gz ORIMQGJQYXJQHO-WOJBJXKFSA-N 1 0 366.465 2.568 10 30 FFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329716839 512090469 /nfs/dbraw/zinc/09/04/69/512090469.db2.gz WYPUGMVQNRIFHF-JYYAWHABSA-N 1 0 350.507 2.993 10 30 FFEERO C[C@@H]1CC(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000329805980 512099383 /nfs/dbraw/zinc/09/93/83/512099383.db2.gz NNYSYWQVTLHRTL-IAGOWNOFSA-N 1 0 367.534 2.681 10 30 FFEERO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000329852768 512104228 /nfs/dbraw/zinc/10/42/28/512104228.db2.gz RRSCVJJGKPFXTG-INIZCTEOSA-N 1 0 356.470 2.622 10 30 FFEERO C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C1CCCC1)c1cccc(Cl)c1 ZINC000262269871 729662766 /nfs/dbraw/zinc/66/27/66/729662766.db2.gz GMPCEFYFZBQLDQ-CYBMUJFWSA-N 1 0 350.894 2.967 10 30 FFEERO C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C1CCCC1)c1ccc(Cl)cc1 ZINC000262325375 729663751 /nfs/dbraw/zinc/66/37/51/729663751.db2.gz SYQIHVSOIWMBPZ-CYBMUJFWSA-N 1 0 350.894 2.967 10 30 FFEERO C[NH+](C)Cc1cc(O[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)ccn1 ZINC000886027999 733741272 /nfs/dbraw/zinc/74/12/72/733741272.db2.gz MEOFHAVGBCGNSE-OAHLLOKOSA-N 1 0 357.845 2.721 10 30 FFEERO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330180137 959232954 /nfs/dbraw/zinc/23/29/54/959232954.db2.gz NDNKODMSHHPKDB-SFHLNBCPSA-N 1 0 357.498 2.802 10 30 FFEERO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000329247547 967577908 /nfs/dbraw/zinc/57/79/08/967577908.db2.gz RWBHFWAGPONAGN-XBMUEBEBSA-N 1 0 368.481 2.942 10 30 FFEERO CC(C)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329283717 967615780 /nfs/dbraw/zinc/61/57/80/967615780.db2.gz OCSAELCJDOZNDI-MRXNPFEDSA-N 1 0 361.534 2.683 10 30 FFEERO CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000329401548 967679594 /nfs/dbraw/zinc/67/95/94/967679594.db2.gz BKNQCFJEJDLITC-MRXNPFEDSA-N 1 0 374.533 2.581 10 30 FFEERO Cc1nc(CN2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)no1 ZINC000135198786 981261673 /nfs/dbraw/zinc/26/16/73/981261673.db2.gz DCFOBCOHIHFLRE-UHFFFAOYSA-N 1 0 353.470 2.887 10 30 FFEERO Cc1nn(C)c2ncc(C(=O)ONC(=[NH2+])c3ccc(C)cc3)c(Cl)c12 ZINC000004286742 204130691 /nfs/dbraw/zinc/13/06/91/204130691.db2.gz CHILMKLUAKMMJM-UHFFFAOYSA-N 1 0 357.801 2.716 10 30 FFEERO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)no1 ZINC000103150217 250135710 /nfs/dbraw/zinc/13/57/10/250135710.db2.gz XHOJEOKWSAYICK-CYBMUJFWSA-N 1 0 359.455 2.595 10 30 FFEERO N#Cc1ccc(C[N@@H+]2CCCN(c3nccn4c3nnc4C3CC3)CC2)cc1 ZINC000302225078 258096570 /nfs/dbraw/zinc/09/65/70/258096570.db2.gz VBLGOMUVXFXFJK-UHFFFAOYSA-N 1 0 373.464 2.586 10 30 FFEERO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n2c3ccccc3nc2c1C#N ZINC000328955290 258125132 /nfs/dbraw/zinc/12/51/32/258125132.db2.gz NFRUUUUFMDQRNZ-RTBURBONSA-N 1 0 361.449 2.577 10 30 FFEERO N#Cc1c2c(sc1NC(=O)CC[N@H+]1C[C@@H]3CC[C@@H](O)C[C@@H]3C1)CCC2 ZINC000333094945 258249451 /nfs/dbraw/zinc/24/94/51/258249451.db2.gz CZAZCDXZNVDXNP-BFHYXJOUSA-N 1 0 359.495 2.530 10 30 FFEERO N#Cc1c(NC(=O)CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)sc2c1CCCCC2 ZINC000333197996 258255584 /nfs/dbraw/zinc/25/55/84/258255584.db2.gz WTAXPYNLSBQOOB-RRFJBIMHSA-N 1 0 373.522 2.920 10 30 FFEERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000049381913 507617420 /nfs/dbraw/zinc/61/74/20/507617420.db2.gz SNQGVHSRDHJCRN-QGZVFWFLSA-N 1 0 370.840 2.569 10 30 FFEERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000113443266 508267920 /nfs/dbraw/zinc/26/79/20/508267920.db2.gz GDQAFSUXCIMEIM-SFHVURJKSA-N 1 0 353.470 2.733 10 30 FFEERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(C#N)cc1 ZINC000103073049 508295274 /nfs/dbraw/zinc/29/52/74/508295274.db2.gz MRIGQFJEJLVUNZ-GOSISDBHSA-N 1 0 353.491 2.939 10 30 FFEERO Cc1csc(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000156700193 508464676 /nfs/dbraw/zinc/46/46/76/508464676.db2.gz LQJPXQJRPSLIIE-QGZVFWFLSA-N 1 0 357.479 2.943 10 30 FFEERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000116784985 508561288 /nfs/dbraw/zinc/56/12/88/508561288.db2.gz YTENQHPTFDHMEU-HXUWFJFHSA-N 1 0 365.433 2.753 10 30 FFEERO CCO[C@@H]1C[C@@](O)(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000189420295 509567398 /nfs/dbraw/zinc/56/73/98/509567398.db2.gz SBESJRDIYQYDOL-IFMALSPDSA-N 1 0 371.525 2.678 10 30 FFEERO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000193504564 509942509 /nfs/dbraw/zinc/94/25/09/509942509.db2.gz XEGVHZJEZZSSCC-UHFFFAOYSA-N 1 0 368.481 2.513 10 30 FFEERO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000245693647 510090556 /nfs/dbraw/zinc/09/05/56/510090556.db2.gz BXJUQEPJNGJBEJ-WMZOPIPTSA-N 1 0 351.454 2.868 10 30 FFEERO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000187201019 510119978 /nfs/dbraw/zinc/11/99/78/510119978.db2.gz IOQUQQIJAADKJJ-UHFFFAOYSA-N 1 0 372.476 2.910 10 30 FFEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000174776626 510306144 /nfs/dbraw/zinc/30/61/44/510306144.db2.gz VGIYJOPUOMRESO-PMACEKPBSA-N 1 0 357.498 2.935 10 30 FFEERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246248584 510387906 /nfs/dbraw/zinc/38/79/06/510387906.db2.gz KWSSAZIOGXICHK-HUUCEWRRSA-N 1 0 374.510 2.620 10 30 FFEERO COc1ccc(NC(=[NH2+])NC[C@H]2Cc3ccccc3N(C)C2)cc1OC ZINC000262805709 510419915 /nfs/dbraw/zinc/41/99/15/510419915.db2.gz NFXMZDVODDXLGV-CQSZACIVSA-N 1 0 354.454 2.739 10 30 FFEERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cccn1Cc1ccccc1C#N)CC2 ZINC000187836447 510463198 /nfs/dbraw/zinc/46/31/98/510463198.db2.gz QUBRZWCOQJOOMN-GOSISDBHSA-N 1 0 360.465 2.667 10 30 FFEERO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cccn3Cc3ccccc3C#N)C2)cn1 ZINC000188059685 510571234 /nfs/dbraw/zinc/57/12/34/510571234.db2.gz RKURAIWXLFMVAD-HXUWFJFHSA-N 1 0 374.492 2.900 10 30 FFEERO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)c1 ZINC000175367997 510613799 /nfs/dbraw/zinc/61/37/99/510613799.db2.gz ITESGKRUVAINJG-AEFFLSMTSA-N 1 0 361.486 2.950 10 30 FFEERO C[C@H]1CN([C@H](CNC(=O)NCCCCC#N)c2cccs2)CCO1 ZINC000246805716 510684296 /nfs/dbraw/zinc/68/42/96/510684296.db2.gz KAUBRIHPBNGDKG-LSDHHAIUSA-N 1 0 350.488 2.503 10 30 FFEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000246807054 510684677 /nfs/dbraw/zinc/68/46/77/510684677.db2.gz DFEBSKIEINQPIG-CRAIPNDOSA-N 1 0 360.527 2.819 10 30 FFEERO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329105015 511984663 /nfs/dbraw/zinc/98/46/63/511984663.db2.gz GWWJQDNWGPMXID-NVXWUHKLSA-N 1 0 359.470 2.821 10 30 FFEERO C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329546351 512068019 /nfs/dbraw/zinc/06/80/19/512068019.db2.gz BVIIYKMOIPNKSN-JCHJZTRSSA-N 1 0 370.497 2.862 10 30 FFEERO CN1C(=O)CO[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccccc1 ZINC000329554782 512068416 /nfs/dbraw/zinc/06/84/16/512068416.db2.gz GVPFZJMTNFTLOE-BVKALTAXSA-N 1 0 371.481 2.557 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000329577369 512071691 /nfs/dbraw/zinc/07/16/91/512071691.db2.gz VZKFKZKOEVYTNI-ZBFHGGJFSA-N 1 0 359.470 2.775 10 30 FFEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000036098561 518302487 /nfs/dbraw/zinc/30/24/87/518302487.db2.gz NLICGWJAVHFDPU-FQEVSTJZSA-N 1 0 357.425 2.847 10 30 FFEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)N1CCO[C@@H](C)C1 ZINC000249710986 717165100 /nfs/dbraw/zinc/16/51/00/717165100.db2.gz VRHIVAGCUYWEQL-LFVRLGFBSA-N 1 0 374.461 2.501 10 30 FFEERO C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261960940 729655580 /nfs/dbraw/zinc/65/55/80/729655580.db2.gz KCQQIPVPSSGIEP-DZGCQCFKSA-N 1 0 361.515 2.797 10 30 FFEERO C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C1CCCC1)c1ccc(F)cc1F ZINC000262298667 729663228 /nfs/dbraw/zinc/66/32/28/729663228.db2.gz NBNZHIWKFMOKPU-GFCCVEGCSA-N 1 0 352.429 2.592 10 30 FFEERO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1CCC[C@@H]1C#N ZINC000262438084 729666001 /nfs/dbraw/zinc/66/60/01/729666001.db2.gz UFTUEGBEERIDAE-TZMCWYRMSA-N 1 0 358.833 2.747 10 30 FFEERO C[C@H]1CN([C@H](CNC(=[NH2+])N2CCCCCC2)c2cccs2)CCO1 ZINC000262488074 729667233 /nfs/dbraw/zinc/66/72/33/729667233.db2.gz IWAZTUBXSIIEGH-JKSUJKDBSA-N 1 0 350.532 2.701 10 30 FFEERO C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262798625 729671378 /nfs/dbraw/zinc/67/13/78/729671378.db2.gz QFIAQRPHOFRHMU-ZDUSSCGKSA-N 1 0 361.490 2.846 10 30 FFEERO COc1cc(C[NH2+][C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)ccc1C#N ZINC000886060580 733744295 /nfs/dbraw/zinc/74/42/95/733744295.db2.gz NNOYUFHDSWAGKQ-GOEBONIOSA-N 1 0 355.360 2.598 10 30 FFEERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000106179322 250248395 /nfs/dbraw/zinc/24/83/95/250248395.db2.gz JWSMUYHXUUVKEY-WMLDXEAASA-N 1 0 366.469 2.506 10 30 FFEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000163204422 251176725 /nfs/dbraw/zinc/17/67/25/251176725.db2.gz OHQPHBKSVKSTFA-KGLIPLIRSA-N 1 0 371.462 2.640 10 30 FFEERO Cc1cnn(CC2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000329195988 258132118 /nfs/dbraw/zinc/13/21/18/258132118.db2.gz VORWOFIPUISKMV-FQEVSTJZSA-N 1 0 363.465 2.581 10 30 FFEERO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000029257130 507771285 /nfs/dbraw/zinc/77/12/85/507771285.db2.gz PTUISNFPZQAWLK-FQEVSTJZSA-N 1 0 367.497 2.765 10 30 FFEERO NC(=[NH2+])Nc1c(Br)cc(Br)cc1Br ZINC000052091840 507797212 /nfs/dbraw/zinc/79/72/12/507797212.db2.gz WHMZPEMAXKOXKP-UHFFFAOYSA-N 1 0 371.858 2.879 10 30 FFEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000113267260 508256088 /nfs/dbraw/zinc/25/60/88/508256088.db2.gz ROQXZASUVAHBSE-DLBZAZTESA-N 1 0 350.466 2.906 10 30 FFEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000116247859 508491141 /nfs/dbraw/zinc/49/11/41/508491141.db2.gz IRODHWZFZDWGGG-UWJYYQICSA-N 1 0 362.477 2.913 10 30 FFEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)C(C)C ZINC000153258194 508565166 /nfs/dbraw/zinc/56/51/66/508565166.db2.gz RSXBTYGDDIEZPP-IRXDYDNUSA-N 1 0 374.533 2.673 10 30 FFEERO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000128514256 508603897 /nfs/dbraw/zinc/60/38/97/508603897.db2.gz UXCOWRRIGMIDDY-YOEHRIQHSA-N 1 0 356.422 2.666 10 30 FFEERO CCOC(=O)c1ccc[n+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000160079074 508935208 /nfs/dbraw/zinc/93/52/08/508935208.db2.gz IYJYTBQFAABMRX-INIZCTEOSA-N 1 0 363.796 2.921 10 30 FFEERO CNC(=O)[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000178952318 509200236 /nfs/dbraw/zinc/20/02/36/509200236.db2.gz RDIDDLJDPMVLOH-HXUWFJFHSA-N 1 0 351.450 2.997 10 30 FFEERO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248003095 509214011 /nfs/dbraw/zinc/21/40/11/509214011.db2.gz KPDLJVZPGDIMCR-FUHWJXTLSA-N 1 0 356.470 2.550 10 30 FFEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000191910758 509243131 /nfs/dbraw/zinc/24/31/31/509243131.db2.gz VAPPMJSIQWTSDT-KSZLIROESA-N 1 0 359.470 2.875 10 30 FFEERO N#Cc1c(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)sc2c1CCCCC2 ZINC000172801715 509243306 /nfs/dbraw/zinc/24/33/06/509243306.db2.gz AAOWPGMLDGYNIM-OAHLLOKOSA-N 1 0 372.538 2.997 10 30 FFEERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]12 ZINC000248628951 509399925 /nfs/dbraw/zinc/39/99/25/509399925.db2.gz VWOKFLXVJVKQFT-MKXGPGLRSA-N 1 0 371.481 2.827 10 30 FFEERO Cn1cnnc1C1CC[NH+](Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000189719724 509719672 /nfs/dbraw/zinc/71/96/72/509719672.db2.gz SKVJMFNNHRXHNN-UHFFFAOYSA-N 1 0 360.465 2.916 10 30 FFEERO N#CCSCCC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000173886123 509833721 /nfs/dbraw/zinc/83/37/21/509833721.db2.gz DARLSELPLFDEHW-UHFFFAOYSA-N 1 0 355.511 2.637 10 30 FFEERO CC[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@@H+]1CCOC ZINC000174737411 510281052 /nfs/dbraw/zinc/28/10/52/510281052.db2.gz UQJRLRBJUREETP-OAHLLOKOSA-N 1 0 360.408 2.932 10 30 FFEERO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188103277 510596223 /nfs/dbraw/zinc/59/62/23/510596223.db2.gz AAPILXWLPIPORS-WMZOPIPTSA-N 1 0 355.463 2.656 10 30 FFEERO Cc1ccc(N(CCC#N)C(=O)CN2CCC[N@@H+](C3CC3)CC2)cc1C ZINC000172347279 510682326 /nfs/dbraw/zinc/68/23/26/510682326.db2.gz HGAATHXDRBVOLA-UHFFFAOYSA-N 1 0 354.498 2.720 10 30 FFEERO CCOC(=O)c1ccc[n+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000182241350 510830087 /nfs/dbraw/zinc/83/00/87/510830087.db2.gz IAXFFIRHZKGPRL-INIZCTEOSA-N 1 0 363.796 2.921 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000247469876 510861949 /nfs/dbraw/zinc/86/19/49/510861949.db2.gz ROQXZASUVAHBSE-SJORKVTESA-N 1 0 350.466 2.906 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000247544502 510865070 /nfs/dbraw/zinc/86/50/70/510865070.db2.gz YSBFFIIDPFDHEW-CABCVRRESA-N 1 0 372.538 2.996 10 30 FFEERO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247555993 510865521 /nfs/dbraw/zinc/86/55/21/510865521.db2.gz UADBYYYUSACDEP-DLBZAZTESA-N 1 0 351.454 2.545 10 30 FFEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CCC2 ZINC000328718868 511920613 /nfs/dbraw/zinc/92/06/13/511920613.db2.gz QAFLDGBHVGJPED-KSZLIROESA-N 1 0 359.518 2.930 10 30 FFEERO Cc1csc([C@@H]2CN(C(=O)NC[C@@H]3CCCn4ccnc43)CCO2)n1 ZINC000328755190 511927141 /nfs/dbraw/zinc/92/71/41/511927141.db2.gz SVLZXQFJRNZBQD-KBPBESRZSA-N 1 0 361.471 2.513 10 30 FFEERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328761777 511927498 /nfs/dbraw/zinc/92/74/98/511927498.db2.gz YOKCGIPFSURJJL-CVEARBPZSA-N 1 0 350.507 2.900 10 30 FFEERO CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019090 511967590 /nfs/dbraw/zinc/96/75/90/511967590.db2.gz RUFYPZRWNLRKBE-GJZGRUSLSA-N 1 0 359.478 2.504 10 30 FFEERO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCn2ccnc2C1 ZINC000329025274 511969820 /nfs/dbraw/zinc/96/98/20/511969820.db2.gz VEHQMSPADOJEJY-QGZVFWFLSA-N 1 0 367.497 2.708 10 30 FFEERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329501305 512057997 /nfs/dbraw/zinc/05/79/97/512057997.db2.gz VYGQUOZACJIHMV-JYYAWHABSA-N 1 0 350.507 2.993 10 30 FFEERO Cc1cc2c(cc1C)[N@+](CC(=O)NC(N)=O)(Cc1ccc(F)cc1)C=N2 ZINC000249705969 717165179 /nfs/dbraw/zinc/16/51/79/717165179.db2.gz NXUJGDMBFCROJX-DEOSSOPVSA-O 1 0 355.393 2.818 10 30 FFEERO CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CCC(C(F)(F)F)CC1 ZINC000127447303 728706352 /nfs/dbraw/zinc/70/63/52/728706352.db2.gz DOFLXTJMOFZVNR-YIZWMMSDSA-N 1 0 353.454 2.531 10 30 FFEERO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262348955 729664065 /nfs/dbraw/zinc/66/40/65/729664065.db2.gz DUHJCIFFEUXNMX-OUCADQQQSA-N 1 0 353.454 2.531 10 30 FFEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CCC[C@]2(CCCOC2)C1 ZINC000262786679 729671050 /nfs/dbraw/zinc/67/10/50/729671050.db2.gz MPXCACFMJPGBHT-HKUYNNGSSA-N 1 0 365.905 2.841 10 30 FFEERO [NH3+]CCNC(=S)Nc1c(Br)cccc1Br ZINC000029204331 206486775 /nfs/dbraw/zinc/48/67/75/206486775.db2.gz WXEUOYNJQUDBSF-UHFFFAOYSA-N 1 0 353.083 2.677 10 30 FFEERO CC[NH+]1CCN(c2ccc(CNc3cc(C)nc(C)c3C#N)cn2)CC1 ZINC000301789844 258067975 /nfs/dbraw/zinc/06/79/75/258067975.db2.gz QFOVAKVFNMHVGN-UHFFFAOYSA-N 1 0 350.470 2.719 10 30 FFEERO N#Cc1c2c(sc1NC(=O)CC[N@H+]1C[C@@H]3CC[C@H](O)C[C@@H]3C1)CCC2 ZINC000333094948 258249473 /nfs/dbraw/zinc/24/94/73/258249473.db2.gz CZAZCDXZNVDXNP-MJBXVCDLSA-N 1 0 359.495 2.530 10 30 FFEERO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1nc(OC)cc(OC)n1 ZINC000072428286 507788897 /nfs/dbraw/zinc/78/88/97/507788897.db2.gz SSPVXPHNGJZIKV-MRXNPFEDSA-N 1 0 358.442 2.734 10 30 FFEERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000052521807 507812028 /nfs/dbraw/zinc/81/20/28/507812028.db2.gz OLUWPONAVRJNGL-MRXNPFEDSA-N 1 0 353.388 2.840 10 30 FFEERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000104326950 508332137 /nfs/dbraw/zinc/33/21/37/508332137.db2.gz DCIZVKBXCOOSPG-CRAIPNDOSA-N 1 0 356.470 2.589 10 30 FFEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249989 508344160 /nfs/dbraw/zinc/34/41/60/508344160.db2.gz WBELGGYRBNGDHY-SJORKVTESA-N 1 0 374.533 2.673 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000106262277 508398487 /nfs/dbraw/zinc/39/84/87/508398487.db2.gz GZBILUUTSOUSMC-KRWDZBQOSA-N 1 0 356.514 2.950 10 30 FFEERO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1 ZINC000128418470 508589412 /nfs/dbraw/zinc/58/94/12/508589412.db2.gz UMCBCCPGVGJKTJ-RTBURBONSA-N 1 0 351.454 2.903 10 30 FFEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000157979840 508641059 /nfs/dbraw/zinc/64/10/59/508641059.db2.gz XOKAIEMNVILMIT-GOSISDBHSA-N 1 0 369.469 2.566 10 30 FFEERO CCc1nccn1[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000120300799 508967617 /nfs/dbraw/zinc/96/76/17/508967617.db2.gz MZGOTXNEYUMPKX-QGZVFWFLSA-N 1 0 352.438 2.754 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000161456536 509118357 /nfs/dbraw/zinc/11/83/57/509118357.db2.gz LUPCBDRCIFUQMK-LBPRGKRZSA-N 1 0 370.419 2.690 10 30 FFEERO C=CCc1cc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc(OC)c1O ZINC000121559044 509178516 /nfs/dbraw/zinc/17/85/16/509178516.db2.gz UEMZBSKADCJZGT-UHFFFAOYSA-N 1 0 370.497 2.571 10 30 FFEERO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)OCCO2 ZINC000176710185 509652513 /nfs/dbraw/zinc/65/25/13/509652513.db2.gz GDLXZDVSCFVARG-SWLSCSKDSA-N 1 0 369.446 2.847 10 30 FFEERO Cc1ccc(N2CCC[N@H+](CCCOc3ccc(C#N)cc3)CC2)nn1 ZINC000170939312 509858339 /nfs/dbraw/zinc/85/83/39/509858339.db2.gz JEHCUWQYKYNCAZ-UHFFFAOYSA-N 1 0 351.454 2.638 10 30 FFEERO CCc1nnc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C#N)c1CC ZINC000190450064 510137417 /nfs/dbraw/zinc/13/74/17/510137417.db2.gz USIIRRNLOJKQDQ-KRWDZBQOSA-N 1 0 364.497 2.826 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000171551886 510222108 /nfs/dbraw/zinc/22/21/08/510222108.db2.gz UKFGFBULMRPZRS-OAHLLOKOSA-N 1 0 359.470 2.859 10 30 FFEERO C=CCSCCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190702681 510294320 /nfs/dbraw/zinc/29/43/20/510294320.db2.gz YKWOXVQYHIOPSB-OAHLLOKOSA-N 1 0 368.572 2.834 10 30 FFEERO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000171727010 510333365 /nfs/dbraw/zinc/33/33/65/510333365.db2.gz UVVYEMAYLIJVRH-LJQANCHMSA-N 1 0 357.498 2.516 10 30 FFEERO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246341539 510436540 /nfs/dbraw/zinc/43/65/40/510436540.db2.gz FJIFHPILWWPMHW-YLJYHZDGSA-N 1 0 364.449 2.910 10 30 FFEERO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000172183293 510587115 /nfs/dbraw/zinc/58/71/15/510587115.db2.gz CYBFTIPGQCGTMM-KDOFPFPSSA-N 1 0 363.417 2.786 10 30 FFEERO CC[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000182030382 510719366 /nfs/dbraw/zinc/71/93/66/510719366.db2.gz OFBIBGVRLDOPAZ-QRQLOZEOSA-N 1 0 358.486 2.518 10 30 FFEERO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172543694 510783247 /nfs/dbraw/zinc/78/32/47/510783247.db2.gz MHBSNTVPVRBBKX-KRWDZBQOSA-N 1 0 370.497 2.500 10 30 FFEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000247309806 510856303 /nfs/dbraw/zinc/85/63/03/510856303.db2.gz LVTJIEAKUXJCJM-OXQOHEQNSA-N 1 0 370.497 2.840 10 30 FFEERO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cccnc1 ZINC000330282410 510957281 /nfs/dbraw/zinc/95/72/81/510957281.db2.gz AOTCMCDVGSNNKD-HHXXYDBFSA-N 1 0 370.501 2.805 10 30 FFEERO C[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCNC1=O ZINC000330287431 510958034 /nfs/dbraw/zinc/95/80/34/510958034.db2.gz BELWWWGNQZYZIU-XLIONFOSSA-N 1 0 359.470 2.856 10 30 FFEERO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000311050460 511774580 /nfs/dbraw/zinc/77/45/80/511774580.db2.gz USDIQQZAVPQNHL-INIZCTEOSA-N 1 0 357.479 2.666 10 30 FFEERO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000328631206 511900829 /nfs/dbraw/zinc/90/08/29/511900829.db2.gz KGEKTCZNSIBEFI-QGZVFWFLSA-N 1 0 369.494 2.813 10 30 FFEERO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000329251144 512013885 /nfs/dbraw/zinc/01/38/85/512013885.db2.gz XYFOPMFSEKOHJJ-OAHLLOKOSA-N 1 0 359.518 2.626 10 30 FFEERO CC(=O)N1C[C@H](CCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000329619237 512078438 /nfs/dbraw/zinc/07/84/38/512078438.db2.gz MFPFLDYEXUTPEC-WMZOPIPTSA-N 1 0 372.513 2.509 10 30 FFEERO 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510761147 /nfs/dbraw/zinc/76/11/47/510761147.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 1 0 350.466 2.916 10 30 FFEERO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247002082 510792870 /nfs/dbraw/zinc/79/28/70/510792870.db2.gz PREPIRVKBSFHJU-RCHSDXJNSA-N 1 0 361.530 2.933 10 30 FFEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000247156624 510847228 /nfs/dbraw/zinc/84/72/28/510847228.db2.gz IRODHWZFZDWGGG-LAUBAEHRSA-N 1 0 362.477 2.913 10 30 FFEERO N#C[C@@H]1CN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C[C@H]1c1ccccc1 ZINC000333356311 511215800 /nfs/dbraw/zinc/21/58/00/511215800.db2.gz SBLFUFQODMXVLS-LMMKCTJWSA-N 1 0 361.449 2.669 10 30 FFEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000333680125 511320908 /nfs/dbraw/zinc/32/09/08/511320908.db2.gz KYXUIVIMMDFUHN-YRISNDGFSA-N 1 0 369.513 2.735 10 30 FFEERO C#CCC[NH+]1CCN(c2c(C(=O)OCC)cnc3ccc(F)cc32)CC1 ZINC000301982240 511704064 /nfs/dbraw/zinc/70/40/64/511704064.db2.gz JHYXYTMXYYBUSZ-UHFFFAOYSA-N 1 0 355.413 2.696 10 30 FFEERO C[C@H](NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)C(=O)N1CCCC[C@@H]1C ZINC000328955549 511956469 /nfs/dbraw/zinc/95/64/69/511956469.db2.gz OVOAASLLMQSKOF-LTIDMASMSA-N 1 0 358.486 2.900 10 30 FFEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329140564 511990978 /nfs/dbraw/zinc/99/09/78/511990978.db2.gz FYFJJNOGDMRJJN-DLBZAZTESA-N 1 0 362.518 2.888 10 30 FFEERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000329251143 512013824 /nfs/dbraw/zinc/01/38/24/512013824.db2.gz XYFOPMFSEKOHJJ-HNNXBMFYSA-N 1 0 359.518 2.626 10 30 FFEERO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCCCC[C@H]1O ZINC000329258288 512014992 /nfs/dbraw/zinc/01/49/92/512014992.db2.gz YJCADNRIBJMBRA-HZPDHXFCSA-N 1 0 355.548 2.545 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329322002 512026628 /nfs/dbraw/zinc/02/66/28/512026628.db2.gz FIFPIKVSOFRMCL-OWCLPIDISA-N 1 0 359.518 2.578 10 30 FFEERO C[N@@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C[C@H]21 ZINC000285249396 512051766 /nfs/dbraw/zinc/05/17/66/512051766.db2.gz ZBCWDGKEZMGJDM-CABCVRRESA-N 1 0 360.820 2.808 10 30 FFEERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[C@H](CCO)C1 ZINC000329790628 512097552 /nfs/dbraw/zinc/09/75/52/512097552.db2.gz CXNQQBHCIHQFBQ-XUBOLADHSA-N 1 0 357.498 2.800 10 30 FFEERO Cc1cccc(Oc2ccc(NC(=O)C[N+]34CCN(CC3)CC4)cc2)c1 ZINC000029221355 717116810 /nfs/dbraw/zinc/11/68/10/717116810.db2.gz BZRWBZCRWQKSAG-UHFFFAOYSA-O 1 0 352.458 2.872 10 30 FFEERO CC[NH+]=C(NCc1ccc(Cl)s1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261660425 729651437 /nfs/dbraw/zinc/65/14/37/729651437.db2.gz AYFIBJKHGMXVCQ-AWEZNQCLSA-N 1 0 367.906 2.674 10 30 FFEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329112984 729796385 /nfs/dbraw/zinc/79/63/85/729796385.db2.gz KZWPMKNNNUKPBM-YCPHGPKFSA-N 1 0 353.532 2.765 10 30 FFEERO Cc1cccc(NC(=[NH2+])NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000104162762 965984808 /nfs/dbraw/zinc/98/48/08/965984808.db2.gz KVBWUVGJPBCNHD-UHFFFAOYSA-N 1 0 351.498 2.669 10 30 FFEERO Cn1ccnc1CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000106164550 250247085 /nfs/dbraw/zinc/24/70/85/250247085.db2.gz CQHWEAPSSNGQJM-UHFFFAOYSA-N 1 0 351.454 2.575 10 30 FFEERO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000107707623 250311226 /nfs/dbraw/zinc/31/12/26/250311226.db2.gz XXBIMZKDYSSNPE-OAHLLOKOSA-N 1 0 367.902 2.851 10 30 FFEERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C#N ZINC000163230745 251178343 /nfs/dbraw/zinc/17/83/43/251178343.db2.gz BFCJPKBYBGQARS-UONOGXRCSA-N 1 0 371.462 2.640 10 30 FFEERO N#Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccc(Cl)cc12 ZINC000301526973 258054240 /nfs/dbraw/zinc/05/42/40/258054240.db2.gz GJZYUWSVDWFVJN-CQSZACIVSA-N 1 0 356.857 2.918 10 30 FFEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000079542373 507973018 /nfs/dbraw/zinc/97/30/18/507973018.db2.gz QUCFNNAJFLVIGZ-GOSISDBHSA-N 1 0 372.538 2.544 10 30 FFEERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000113443264 508268077 /nfs/dbraw/zinc/26/80/77/508268077.db2.gz GDQAFSUXCIMEIM-GOSISDBHSA-N 1 0 353.470 2.733 10 30 FFEERO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000104183568 508329757 /nfs/dbraw/zinc/32/97/57/508329757.db2.gz NLAQGRPYNWRJPB-OAHLLOKOSA-N 1 0 354.454 2.957 10 30 FFEERO C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000104327071 508332144 /nfs/dbraw/zinc/33/21/44/508332144.db2.gz UVFVXCUZRVDUMD-UHFFFAOYSA-N 1 0 374.872 2.961 10 30 FFEERO C=CCOc1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cc1OC ZINC000122438983 508535586 /nfs/dbraw/zinc/53/55/86/508535586.db2.gz SECAZYGFBSUCDP-SFHVURJKSA-N 1 0 357.454 2.666 10 30 FFEERO C=C(C)COc1cc(CN2CCO[C@H](c3nnc(CC)[nH]3)C2)ccc1OC ZINC000129105684 508684194 /nfs/dbraw/zinc/68/41/94/508684194.db2.gz UKUPGMLXVVMPNA-SFHVURJKSA-N 1 0 372.469 2.904 10 30 FFEERO COc1cc(/C=C/C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1OCC#N ZINC000121171344 509143914 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2.832 10 30 FFEERO CCc1cccc(NC(=[NH2+])NCC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000261810335 510073609 /nfs/dbraw/zinc/07/36/09/510073609.db2.gz MOEGZLJWZYRATP-QGZVFWFLSA-N 1 0 352.438 2.616 10 30 FFEERO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171891661 510431273 /nfs/dbraw/zinc/43/12/73/510431273.db2.gz LCBHGUHXGYMYRF-LJQANCHMSA-N 1 0 368.481 2.813 10 30 FFEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178630724 510696483 /nfs/dbraw/zinc/69/64/83/510696483.db2.gz MUGTTYXUSDWZRN-RBUKOAKNSA-N 1 0 354.498 2.719 10 30 FFEERO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000182086964 510749968 /nfs/dbraw/zinc/74/99/68/510749968.db2.gz VYZNPZPMQAFWPC-YYWHXJBOSA-N 1 0 365.477 2.875 10 30 FFEERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000195404847 510814630 /nfs/dbraw/zinc/81/46/30/510814630.db2.gz TZUZOEAVGRPETA-QGZVFWFLSA-N 1 0 352.486 2.856 10 30 FFEERO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000247642070 510867699 /nfs/dbraw/zinc/86/76/99/510867699.db2.gz TVWRGIPKLMJLMK-VWPQPMDRSA-N 1 0 366.461 2.886 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330111024 510918328 /nfs/dbraw/zinc/91/83/28/510918328.db2.gz ASHCALIUCBQIIN-DLVXIWMQSA-N 1 0 368.481 2.975 10 30 FFEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576363 511896221 /nfs/dbraw/zinc/89/62/21/511896221.db2.gz ZLWVZYYDBCWATK-JUHPOPGZSA-N 1 0 367.493 2.925 10 30 FFEERO C[C@@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cn[nH]c1 ZINC000328853755 511940856 /nfs/dbraw/zinc/94/08/56/511940856.db2.gz JFGFSJXSYVRCPE-OWCLPIDISA-N 1 0 363.506 2.596 10 30 FFEERO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000329185037 512001466 /nfs/dbraw/zinc/00/14/66/512001466.db2.gz PITUDKVCNGXQAJ-FDMITFGQSA-N 1 0 355.482 2.720 10 30 FFEERO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329595909 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BIWJHEXGKBAYSR-CRAIPNDOSA-N 1 0 356.470 2.589 10 30 FFEERO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105036565 508357809 /nfs/dbraw/zinc/35/78/09/508357809.db2.gz NFQJJFJZNUPJSF-CYBMUJFWSA-N 1 0 350.369 2.862 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000106269334 508398753 /nfs/dbraw/zinc/39/87/53/508398753.db2.gz CUKMDTHQQDMDAR-SFHVURJKSA-N 1 0 370.501 2.766 10 30 FFEERO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000124370151 508822020 /nfs/dbraw/zinc/82/20/20/508822020.db2.gz SBXFZHQMQZMNFS-QMMLZNLJSA-N 1 0 365.477 2.702 10 30 FFEERO Cc1oc(NC(=O)[C@H](C)N2CC[C@H](Oc3cccnc3)C2)c(C#N)c1C ZINC000154641624 508824495 /nfs/dbraw/zinc/82/44/95/508824495.db2.gz ZIKFGLIKLUARLE-BBRMVZONSA-N 1 0 354.410 2.643 10 30 FFEERO CCc1nnc(N2CCCN(Cc3csc(C)n3)CC2)c(C#N)c1CC ZINC000125637224 509010225 /nfs/dbraw/zinc/01/02/25/509010225.db2.gz SDWFASFGJIQVKQ-UHFFFAOYSA-N 1 0 370.526 2.950 10 30 FFEERO 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ZINC000329839199 512103084 /nfs/dbraw/zinc/10/30/84/512103084.db2.gz MUTIUQUQIXTAJJ-YQQQUEKLSA-N 1 0 365.481 2.808 10 30 FFEERO N#Cc1c(NC(=O)CCN2C[C@@H](F)C[C@@H]2CO)sc2c1CCCCC2 ZINC000372514171 512911603 /nfs/dbraw/zinc/91/16/03/512911603.db2.gz MODURBGDRSOOEY-QWHCGFSZSA-N 1 0 365.474 2.622 10 30 FFEERO C[NH+]=C(NC[C@@H](c1ccc(C)s1)N1CCOCC1)NC1CCCCC1 ZINC000262838492 729672491 /nfs/dbraw/zinc/67/24/91/729672491.db2.gz TXVDYZQYSSJPHU-KRWDZBQOSA-N 1 0 364.559 2.928 10 30 FFEERO C[N@H+](CCNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C1CCCCC1 ZINC000329193519 729796845 /nfs/dbraw/zinc/79/68/45/729796845.db2.gz UDNBYMQFACLJQD-INIZCTEOSA-N 1 0 353.532 2.909 10 30 FFEERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000329292879 967625958 /nfs/dbraw/zinc/62/59/58/967625958.db2.gz RJKWQSJHHZHDKN-ARFHVFGLSA-N 1 0 359.518 2.626 10 30 FFEERO CC1CCC([NH+]2CCN(C(=O)NCc3cn4c(n3)CCCC4)CC2)CC1 ZINC000329357400 967660713 /nfs/dbraw/zinc/66/07/13/967660713.db2.gz ZUHWEUXZMIBWLH-UHFFFAOYSA-N 1 0 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508497633 /nfs/dbraw/zinc/49/76/33/508497633.db2.gz QHPINJAOEHWLCK-HOTGVXAUSA-N 1 0 358.511 2.874 10 30 FFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ncccc1OCCCC#N ZINC000188786629 509263666 /nfs/dbraw/zinc/26/36/66/509263666.db2.gz XXJJSQWVXOWMGI-JKSUJKDBSA-N 1 0 357.458 2.855 10 30 FFEERO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248347739 509274329 /nfs/dbraw/zinc/27/43/29/509274329.db2.gz NTLIVCLBNRUABD-ROUUACIJSA-N 1 0 370.497 2.500 10 30 FFEERO C=C(C)[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000185839689 509380666 /nfs/dbraw/zinc/38/06/66/509380666.db2.gz ZYQGUZLOXDHUNH-MAUKXSAKSA-N 1 0 367.440 2.728 10 30 FFEERO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000248960183 509556289 /nfs/dbraw/zinc/55/62/89/509556289.db2.gz AZIRLRRCIIVWEE-RDTXWAMCSA-N 1 0 352.438 2.590 10 30 FFEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(F)c1C#N ZINC000249589216 509718837 /nfs/dbraw/zinc/71/88/37/509718837.db2.gz UXZJEKOHUBRTPS-IFXJQAMLSA-N 1 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C[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCNC1=O ZINC000330287430 510958187 /nfs/dbraw/zinc/95/81/87/510958187.db2.gz BELWWWGNQZYZIU-PXNSSMCTSA-N 1 0 359.470 2.856 10 30 FFEERO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000330324372 510963533 /nfs/dbraw/zinc/96/35/33/510963533.db2.gz IJNQMNVGNVMLGU-MELADBBJSA-N 1 0 354.248 2.725 10 30 FFEERO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328650775 511907859 /nfs/dbraw/zinc/90/78/59/511907859.db2.gz JLPDBBZVNZJNGT-MAUKXSAKSA-N 1 0 358.486 2.870 10 30 FFEERO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000329054404 511974589 /nfs/dbraw/zinc/97/45/89/511974589.db2.gz LRBXQUZQRBQJAT-GQGLESIBSA-N 1 0 366.506 2.568 10 30 FFEERO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1nc(-c2ccccc2)no1 ZINC000329548631 512068612 /nfs/dbraw/zinc/06/86/12/512068612.db2.gz OUQPHEXXXZDVKO-VYDXJSESSA-N 1 0 369.469 2.780 10 30 FFEERO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329566576 512071896 /nfs/dbraw/zinc/07/18/96/512071896.db2.gz KURASXRTNGBBEM-STECZYCISA-N 1 0 366.481 2.891 10 30 FFEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329830802 512102707 /nfs/dbraw/zinc/10/27/07/512102707.db2.gz SNNBRYIMDUCIGJ-KBMXLJTQSA-N 1 0 361.490 2.769 10 30 FFEERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961216 512975269 /nfs/dbraw/zinc/97/52/69/512975269.db2.gz BUGIAJBRRBPNTG-MKXGPGLRSA-N 1 0 361.530 2.933 10 30 FFEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000121308091 728624252 /nfs/dbraw/zinc/62/42/52/728624252.db2.gz FNKBNMZWQNJUFS-HZPDHXFCSA-N 1 0 352.475 2.520 10 30 FFEERO CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CCC(C(F)(F)F)CC1 ZINC000127447099 728706345 /nfs/dbraw/zinc/70/63/45/728706345.db2.gz DOFLXTJMOFZVNR-ORHYLEIMSA-N 1 0 353.454 2.531 10 30 FFEERO C[C@H](NC(NCC(=O)N(C)C)=[NH+]C1CCCC1)c1ccccc1Cl ZINC000262311261 729663457 /nfs/dbraw/zinc/66/34/57/729663457.db2.gz PURGVEWKJQAMFB-ZDUSSCGKSA-N 1 0 350.894 2.967 10 30 FFEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262755611 729670339 /nfs/dbraw/zinc/67/03/39/729670339.db2.gz BAVBZTYBGBJISJ-NXOAAHMSSA-N 1 0 365.905 2.742 10 30 FFEERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000329148223 967525767 /nfs/dbraw/zinc/52/57/67/967525767.db2.gz BESGAGVRLWORSE-RDJZCZTQSA-N 1 0 359.470 2.993 10 30 FFEERO Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cc(C#N)ccc2F)CCCN1C ZINC000286851041 257058397 /nfs/dbraw/zinc/05/83/97/257058397.db2.gz VJBSTMLMDOPPLQ-OXJNMPFZSA-N 1 0 355.461 2.946 10 30 FFEERO Cc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)n1 ZINC000302395460 258100731 /nfs/dbraw/zinc/10/07/31/258100731.db2.gz CVRSJWIYZXDZTP-OAQYLSRUSA-N 1 0 350.466 2.643 10 30 FFEERO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)cc1 ZINC000329852065 258148703 /nfs/dbraw/zinc/14/87/03/258148703.db2.gz UJGIIEURMXAWGG-LJQANCHMSA-N 1 0 368.481 2.882 10 30 FFEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249990 508344240 /nfs/dbraw/zinc/34/42/40/508344240.db2.gz WBELGGYRBNGDHY-DLBZAZTESA-N 1 0 374.533 2.673 10 30 FFEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249991 508344281 /nfs/dbraw/zinc/34/42/81/508344281.db2.gz WBELGGYRBNGDHY-IAGOWNOFSA-N 1 0 374.533 2.673 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000116247856 508491396 /nfs/dbraw/zinc/49/13/96/508491396.db2.gz IRODHWZFZDWGGG-UTKZUKDTSA-N 1 0 362.477 2.913 10 30 FFEERO C=CCOc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)cc1OC ZINC000127925813 508522101 /nfs/dbraw/zinc/52/21/01/508522101.db2.gz FGMLPGOYMBQDKU-UHFFFAOYSA-N 1 0 372.469 2.659 10 30 FFEERO C=C[C@@H](CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000130700892 508833660 /nfs/dbraw/zinc/83/36/60/508833660.db2.gz OVLLKRBNHPGMEL-IBGZPJMESA-N 1 0 352.482 2.814 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000155228383 508953439 /nfs/dbraw/zinc/95/34/39/508953439.db2.gz BORUYXUSSRIHAC-ACJLOTCBSA-N 1 0 370.403 2.872 10 30 FFEERO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000163146897 509344729 /nfs/dbraw/zinc/34/47/29/509344729.db2.gz WUGGZEWCCWINCZ-AWEZNQCLSA-N 1 0 374.462 2.700 10 30 FFEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(F)c1C#N ZINC000189637749 509676550 /nfs/dbraw/zinc/67/65/50/509676550.db2.gz UXZJEKOHUBRTPS-LIRRHRJNSA-N 1 0 352.413 2.733 10 30 FFEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1cnn(C)c1)C(C)C ZINC000170894501 509837385 /nfs/dbraw/zinc/83/73/85/509837385.db2.gz KCKAGZWXSHMPBT-MOPGFXCFSA-N 1 0 359.518 2.965 10 30 FFEERO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000183667999 509917057 /nfs/dbraw/zinc/91/70/57/509917057.db2.gz VCXQKNGEXVSQPS-FUHWJXTLSA-N 1 0 367.449 2.654 10 30 FFEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000190500574 510169007 /nfs/dbraw/zinc/16/90/07/510169007.db2.gz YOBDYMKLNZVKQH-MRXNPFEDSA-N 1 0 355.548 2.761 10 30 FFEERO CCn1cc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cn1 ZINC000171639351 510268183 /nfs/dbraw/zinc/26/81/83/510268183.db2.gz BWDGKKIUHQBMEQ-HXUWFJFHSA-N 1 0 363.465 2.760 10 30 FFEERO N#CCCN(C(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccccc1 ZINC000188131050 510610377 /nfs/dbraw/zinc/61/03/77/510610377.db2.gz YKBPLLJYMAXTHA-HKUYNNGSSA-N 1 0 369.490 2.703 10 30 FFEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1ccc(O)cc1 ZINC000330322758 510963663 /nfs/dbraw/zinc/96/36/63/510963663.db2.gz HCUFJHMNAJJACY-QFBILLFUSA-N 1 0 371.485 2.555 10 30 FFEERO N#C[C@@H]1CN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C[C@H]1c1ccccc1 ZINC000333356308 511216356 /nfs/dbraw/zinc/21/63/56/511216356.db2.gz SBLFUFQODMXVLS-AOIWGVFYSA-N 1 0 361.449 2.669 10 30 FFEERO Cc1csc([C@@H]2CN(C(=O)NC[C@H]3CCCn4ccnc43)CCO2)n1 ZINC000328755192 511926963 /nfs/dbraw/zinc/92/69/63/511926963.db2.gz SVLZXQFJRNZBQD-KGLIPLIRSA-N 1 0 361.471 2.513 10 30 FFEERO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329325301 512027960 /nfs/dbraw/zinc/02/79/60/512027960.db2.gz WBHJZCMGWWQEPA-KZNAEPCWSA-N 1 0 356.470 2.616 10 30 FFEERO CN1C(=O)CO[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC000329554783 512068817 /nfs/dbraw/zinc/06/88/17/512068817.db2.gz GVPFZJMTNFTLOE-UUBQNHMESA-N 1 0 371.481 2.557 10 30 FFEERO O=C(C[C@@H]1CCCCNC1=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000329815549 512100513 /nfs/dbraw/zinc/10/05/13/512100513.db2.gz DNTRYHWTCTWVKI-WMZOPIPTSA-N 1 0 359.470 2.509 10 30 FFEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1OC ZINC000036102952 518302011 /nfs/dbraw/zinc/30/20/11/518302011.db2.gz MXBLDIQMICVXGV-FQEVSTJZSA-N 1 0 357.425 2.847 10 30 FFEERO N#Cc1ccc(Oc2ccc3nc(C(=O)N4CC[NH2+]CC4)ccc3c2)cc1 ZINC000584598946 518413591 /nfs/dbraw/zinc/41/35/91/518413591.db2.gz BZEQTXGNCCKNKH-UHFFFAOYSA-N 1 0 358.401 2.944 10 30 FFEERO Cc1ccc(Oc2ccccc2NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000029225149 717117399 /nfs/dbraw/zinc/11/73/99/717117399.db2.gz LZTMKZDNGITZBU-UHFFFAOYSA-O 1 0 352.458 2.872 10 30 FFEERO [NH2+]=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)NC1CCCCC1 ZINC000104180060 728501020 /nfs/dbraw/zinc/50/10/20/728501020.db2.gz DUSFFJFBNFUPPC-CQSZACIVSA-N 1 0 359.392 2.682 10 30 FFEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H](C)c1ccccc1Br ZINC000131200576 728721746 /nfs/dbraw/zinc/72/17/46/728721746.db2.gz FWUIMRYVVYJUBV-ZDUSSCGKSA-N 1 0 364.291 2.880 10 30 FFEERO C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262798623 729671333 /nfs/dbraw/zinc/67/13/33/729671333.db2.gz QFIAQRPHOFRHMU-CYBMUJFWSA-N 1 0 361.490 2.846 10 30 FFEERO C[NH+]=C(NCc1cc(F)ccc1SC)N[C@H]1CCCn2nc(C)nc21 ZINC000262806945 729671800 /nfs/dbraw/zinc/67/18/00/729671800.db2.gz SLXLNMAUHVKFCR-AWEZNQCLSA-N 1 0 362.478 2.648 10 30 FFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329784957 968036099 /nfs/dbraw/zinc/03/60/99/968036099.db2.gz WOEBNTHTJLUMRN-BRWVUGGUSA-N 1 0 373.545 2.968 10 30 FFEERO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000121188458 979552400 /nfs/dbraw/zinc/55/24/00/979552400.db2.gz BRDJILQNTBJKOC-UWJYYQICSA-N 1 0 363.461 2.734 10 30 FFEERO C=CCN1CC[C@]2(C[N@@H+](CCCc3ccccc3)CCN2C)CCC1=O ZINC000091657216 210073026 /nfs/dbraw/zinc/07/30/26/210073026.db2.gz AFZUBISXOAAOSJ-QFIPXVFZSA-N 1 0 355.526 2.804 10 30 FFEERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066998118 506720694 /nfs/dbraw/zinc/72/06/94/506720694.db2.gz KWSSAZIOGXICHK-LSDHHAIUSA-N 1 0 374.510 2.620 10 30 FFEERO C#CCCOc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811275 508102326 /nfs/dbraw/zinc/10/23/26/508102326.db2.gz ZHLWPHLXRXTZDK-UHFFFAOYSA-N 1 0 353.466 2.657 10 30 FFEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000075671803 508126473 /nfs/dbraw/zinc/12/64/73/508126473.db2.gz LULCMYNLICZPLP-QWRGUYRKSA-N 1 0 354.248 2.500 10 30 FFEERO C=CCOc1ccccc1CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000111886004 508134217 /nfs/dbraw/zinc/13/42/17/508134217.db2.gz NOXXKKPWIXYTSZ-KRWDZBQOSA-N 1 0 373.497 2.646 10 30 FFEERO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000104079220 508327586 /nfs/dbraw/zinc/32/75/86/508327586.db2.gz ALXBNUOABJASHK-GOSISDBHSA-N 1 0 354.498 2.882 10 30 FFEERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000104326956 508332090 /nfs/dbraw/zinc/33/20/90/508332090.db2.gz BIWJHEXGKBAYSR-QAPCUYQASA-N 1 0 356.470 2.589 10 30 FFEERO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116321277 508499739 /nfs/dbraw/zinc/49/97/39/508499739.db2.gz NJFJFJLMCDHFFH-ROUUACIJSA-N 1 0 365.481 2.853 10 30 FFEERO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000124200925 508796459 /nfs/dbraw/zinc/79/64/59/508796459.db2.gz RWROEMBBLJOLOK-IBGZPJMESA-N 1 0 367.449 2.609 10 30 FFEERO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154876812 508874207 /nfs/dbraw/zinc/87/42/07/508874207.db2.gz IGKJRCOAJRUHHS-UHFFFAOYSA-N 1 0 368.481 2.754 10 30 FFEERO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504714 509198146 /nfs/dbraw/zinc/19/81/46/509198146.db2.gz KSCOJVYYYBAXPG-BQIYRTECSA-N 1 0 371.529 2.919 10 30 FFEERO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCC#N ZINC000247963793 509201483 /nfs/dbraw/zinc/20/14/83/509201483.db2.gz GNRCDNYRZYTDEK-IGCXZHCHSA-N 1 0 369.465 2.553 10 30 FFEERO COc1ccc(C#N)cc1C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191981305 509275047 /nfs/dbraw/zinc/27/50/47/509275047.db2.gz OHFCQJRWJFBXSE-UHFFFAOYSA-N 1 0 373.497 2.805 10 30 FFEERO CC[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000248491761 509341926 /nfs/dbraw/zinc/34/19/26/509341926.db2.gz OFBIBGVRLDOPAZ-BHIYHBOVSA-N 1 0 358.486 2.518 10 30 FFEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1cnn(C)c1)C(C)C ZINC000170894508 509836335 /nfs/dbraw/zinc/83/63/35/509836335.db2.gz KCKAGZWXSHMPBT-OALUTQOASA-N 1 0 359.518 2.965 10 30 FFEERO CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000177130199 509890396 /nfs/dbraw/zinc/89/03/96/509890396.db2.gz DVZHEGKUCDDXKI-CRAIPNDOSA-N 1 0 354.416 2.834 10 30 FFEERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000183626354 509893339 /nfs/dbraw/zinc/89/33/39/509893339.db2.gz PPOVOUGXOOQBSU-BLLLJJGKSA-N 1 0 355.463 2.759 10 30 FFEERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000245905991 510200316 /nfs/dbraw/zinc/20/03/16/510200316.db2.gz CGBYJXZKIKXJNT-PWRODBHTSA-N 1 0 364.445 2.870 10 30 FFEERO C#CCOc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190619552 510242764 /nfs/dbraw/zinc/24/27/64/510242764.db2.gz YCQYKKXPAXGTSE-LJQANCHMSA-N 1 0 363.461 2.688 10 30 FFEERO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246355837 510444718 /nfs/dbraw/zinc/44/47/18/510444718.db2.gz MUGTTYXUSDWZRN-MOPGFXCFSA-N 1 0 354.498 2.719 10 30 FFEERO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCCC1 ZINC000181552456 510470370 /nfs/dbraw/zinc/47/03/70/510470370.db2.gz SELYMURFLFCCGD-KRWDZBQOSA-N 1 0 354.498 2.513 10 30 FFEERO CCc1nc2n(n1)CCC[C@@H]2NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181881243 510640123 /nfs/dbraw/zinc/64/01/23/510640123.db2.gz UTQYLGRBXTYWSW-IBGZPJMESA-N 1 0 364.497 2.801 10 30 FFEERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(OCC#N)cc2)ncn1 ZINC000181934597 510669612 /nfs/dbraw/zinc/66/96/12/510669612.db2.gz BCSJWBDFBKXPNK-NVXWUHKLSA-N 1 0 366.469 2.740 10 30 FFEERO Cc1noc(C)c1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330322926 510963494 /nfs/dbraw/zinc/96/34/94/510963494.db2.gz HEXYBEAGRSLVGS-WMLDXEAASA-N 1 0 360.462 2.585 10 30 FFEERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000328878745 511943477 /nfs/dbraw/zinc/94/34/77/511943477.db2.gz JJWDYNAJQVNQPT-NIKGAXFTSA-N 1 0 358.486 2.678 10 30 FFEERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000329263044 512016556 /nfs/dbraw/zinc/01/65/56/512016556.db2.gz BOYALVPKWSLTMM-BMGDILEWSA-N 1 0 371.485 2.572 10 30 FFEERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@@H]1c3ccccc3C[C@H]1O)C2 ZINC000329283689 512020365 /nfs/dbraw/zinc/02/03/65/512020365.db2.gz OCBQUIBRMITKQR-ZSZQSSIHSA-N 1 0 368.481 2.657 10 30 FFEERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329427732 512044642 /nfs/dbraw/zinc/04/46/42/512044642.db2.gz GWZFLOJYCBHBNL-RCCFBDPRSA-N 1 0 356.470 2.616 10 30 FFEERO COc1ccccc1/C=C\C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000588589310 518789257 /nfs/dbraw/zinc/78/92/57/518789257.db2.gz GOFGIBOPSVEBLY-RDBXKPKDSA-N 1 0 361.445 2.971 10 30 FFEERO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N+]12CCN(CC1)CC2 ZINC000007612905 717104774 /nfs/dbraw/zinc/10/47/74/717104774.db2.gz STHGRJBBNUUHCN-QGZVFWFLSA-O 1 0 352.458 2.952 10 30 FFEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262844997 729672513 /nfs/dbraw/zinc/67/25/13/729672513.db2.gz VMNXFHHMEQYRAR-HNNXBMFYSA-N 1 0 362.905 2.593 10 30 FFEERO C[NH+]=C(NC[C@@H](c1ccc(C)s1)N1CCOCC1)NC1CCCC1 ZINC000262852454 729672896 /nfs/dbraw/zinc/67/28/96/729672896.db2.gz XEBRFZBOQAGHFS-INIZCTEOSA-N 1 0 350.532 2.537 10 30 FFEERO C[C@H]1CCCC[N@@H+]1CCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000328789465 963860142 /nfs/dbraw/zinc/86/01/42/963860142.db2.gz PZKRSNURLYPIIX-SFHVURJKSA-N 1 0 372.513 2.556 10 30 FFEERO CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000333248942 258258202 /nfs/dbraw/zinc/25/82/02/258258202.db2.gz CDNCAUQWDPAOST-ZDUSSCGKSA-N 1 0 351.248 2.927 10 30 FFEERO C=CCC[C@@H](CN(C)CC[NH+](C)C)Oc1cc(-c2nc(C)no2)ccn1 ZINC000072409502 507784733 /nfs/dbraw/zinc/78/47/33/507784733.db2.gz BGKCJOBNXMIVCB-KRWDZBQOSA-N 1 0 359.474 2.647 10 30 FFEERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537296 508247217 /nfs/dbraw/zinc/24/72/17/508247217.db2.gz RNLVHLCMPHRYGL-NSHDSACASA-N 1 0 363.405 2.586 10 30 FFEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1ccc(=O)c2ccccc21)C(C)C ZINC000101684374 508254540 /nfs/dbraw/zinc/25/45/40/508254540.db2.gz YPXYKSCHFDWCGU-FQEVSTJZSA-N 1 0 367.493 2.816 10 30 FFEERO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000127464529 508453949 /nfs/dbraw/zinc/45/39/49/508453949.db2.gz CMXCPBHYRKEXJJ-OALUTQOASA-N 1 0 371.506 2.658 10 30 FFEERO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000120414574 508991383 /nfs/dbraw/zinc/99/13/83/508991383.db2.gz RMNZKXGAWSLETH-LBPRGKRZSA-N 1 0 355.394 2.829 10 30 FFEERO CC[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@@H+]1CCOC ZINC000160663226 509016826 /nfs/dbraw/zinc/01/68/26/509016826.db2.gz LYCUERQAQHQUEX-MOPGFXCFSA-N 1 0 358.486 2.784 10 30 FFEERO Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000126595507 509100138 /nfs/dbraw/zinc/10/01/38/509100138.db2.gz ZSDMFLSHYUSJGV-SFHVURJKSA-N 1 0 355.486 2.501 10 30 FFEERO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502020 509195391 /nfs/dbraw/zinc/19/53/91/509195391.db2.gz KDFDHHZOMLNZTQ-QGZVFWFLSA-N 1 0 365.481 2.935 10 30 FFEERO Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000188770393 509254744 /nfs/dbraw/zinc/25/47/44/509254744.db2.gz BQIWVXUJFQIIMV-MRXNPFEDSA-N 1 0 368.441 2.966 10 30 FFEERO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2cccnc21 ZINC000192460570 509528235 /nfs/dbraw/zinc/52/82/35/509528235.db2.gz YWRZUOQFGIOOJN-HXUWFJFHSA-N 1 0 362.477 2.964 10 30 FFEERO Cc1ccc(NC(=O)CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)nc1 ZINC000180210119 509814423 /nfs/dbraw/zinc/81/44/23/509814423.db2.gz KKUHECADMONZPY-UHFFFAOYSA-N 1 0 374.448 2.781 10 30 FFEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183822733 509993575 /nfs/dbraw/zinc/99/35/75/509993575.db2.gz UPDSINYIHXKLBA-UHFFFAOYSA-N 1 0 352.438 2.553 10 30 FFEERO CCOCC[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000245889635 510189146 /nfs/dbraw/zinc/18/91/46/510189146.db2.gz CBPRIQVQQDEKLW-QGZVFWFLSA-N 1 0 367.497 2.501 10 30 FFEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177700847 510204454 /nfs/dbraw/zinc/20/44/54/510204454.db2.gz RMRBPWXWZHYJSD-KBPBESRZSA-N 1 0 360.527 2.852 10 30 FFEERO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000181416543 510398996 /nfs/dbraw/zinc/39/89/96/510398996.db2.gz UWIVTAAAGGRYKC-MAUKXSAKSA-N 1 0 362.905 2.683 10 30 FFEERO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246341524 510435612 /nfs/dbraw/zinc/43/56/12/510435612.db2.gz FJIFHPILWWPMHW-FXAWDEMLSA-N 1 0 364.449 2.910 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000172242418 510619174 /nfs/dbraw/zinc/61/91/74/510619174.db2.gz ROUZCHCPANIJQA-RHSMWYFYSA-N 1 0 365.399 2.935 10 30 FFEERO C=CCSCCNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246914824 510743852 /nfs/dbraw/zinc/74/38/52/510743852.db2.gz NXXFNBVGHWTQAW-HUUCEWRRSA-N 1 0 369.556 2.728 10 30 FFEERO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000195335639 510790128 /nfs/dbraw/zinc/79/01/28/510790128.db2.gz IRGMGANQHANZPT-MRXNPFEDSA-N 1 0 351.406 2.650 10 30 FFEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CSC1(C)C ZINC000328791600 511932215 /nfs/dbraw/zinc/93/22/15/511932215.db2.gz ZJQHHWMROYYWIF-NUEKZKHPSA-N 1 0 365.547 2.543 10 30 FFEERO CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000329116747 511985874 /nfs/dbraw/zinc/98/58/74/511985874.db2.gz NNMKAQRRISJZTD-AQDKSWOWSA-N 1 0 351.491 2.974 10 30 FFEERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000329263049 512016504 /nfs/dbraw/zinc/01/65/04/512016504.db2.gz BOYALVPKWSLTMM-ZTFGCOKTSA-N 1 0 371.485 2.572 10 30 FFEERO CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCS1 ZINC000329431051 512046070 /nfs/dbraw/zinc/04/60/70/512046070.db2.gz HSBWUXORDFATLS-ZMSDIMECSA-N 1 0 365.547 2.544 10 30 FFEERO Cn1cncc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(F)c(C#N)c2)CCCN1C ZINC000585804545 518609795 /nfs/dbraw/zinc/60/97/95/518609795.db2.gz KDOYIPGXARGHSQ-OXJNMPFZSA-N 1 0 355.461 2.946 10 30 FFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000083518464 728412331 /nfs/dbraw/zinc/41/23/31/728412331.db2.gz KRAYKCXNWNNDAX-OUCADQQQSA-N 1 0 351.292 2.601 10 30 FFEERO C=CCSc1nc2ccccc2n1CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000117322275 728577358 /nfs/dbraw/zinc/57/73/58/728577358.db2.gz BHJDKMYOZYTPBH-INIZCTEOSA-N 1 0 360.527 2.924 10 30 FFEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261966147 729655673 /nfs/dbraw/zinc/65/56/73/729655673.db2.gz LKNURTOMRHOALU-JSGCOSHPSA-N 1 0 359.392 2.767 10 30 FFEERO CN(Cc1ccc(F)cc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102388844 1003725408 /nfs/dbraw/zinc/72/54/08/1003725408.db2.gz XIFUHSWYRSAERW-UHFFFAOYSA-N 1 0 366.396 2.551 10 30 FFEERO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c(C#N)c(C)n1 ZINC000328634220 223123189 /nfs/dbraw/zinc/12/31/89/223123189.db2.gz TULJZPOSAGYOQC-OXJNMPFZSA-N 1 0 352.486 2.823 10 30 FFEERO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)no1 ZINC000103150213 250135940 /nfs/dbraw/zinc/13/59/40/250135940.db2.gz XHOJEOKWSAYICK-ZDUSSCGKSA-N 1 0 359.455 2.595 10 30 FFEERO N#Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC000333086586 258249104 /nfs/dbraw/zinc/24/91/04/258249104.db2.gz BQZNLWDUXXEWIY-RDJZCZTQSA-N 1 0 362.861 2.962 10 30 FFEERO N#CCCn1cc(C[NH+]2CCC(n3cncn3)CC2)c(-c2ccccc2)n1 ZINC000092647649 508089303 /nfs/dbraw/zinc/08/93/03/508089303.db2.gz KXPGLPUUHRFCFD-UHFFFAOYSA-N 1 0 361.453 2.892 10 30 FFEERO CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000092807184 508102347 /nfs/dbraw/zinc/10/23/47/508102347.db2.gz LHMGUEHMYZHFMC-JKSUJKDBSA-N 1 0 369.387 2.575 10 30 FFEERO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928830 508289454 /nfs/dbraw/zinc/28/94/54/508289454.db2.gz OXUBGAQAUVGHNQ-IEBWSBKVSA-N 1 0 366.417 2.864 10 30 FFEERO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183344 508397142 /nfs/dbraw/zinc/39/71/42/508397142.db2.gz LWVYZOIKRDLOIS-IDYZSHNDSA-N 1 0 371.529 2.914 10 30 FFEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000116528621 508525243 /nfs/dbraw/zinc/52/52/43/508525243.db2.gz KLHBTJXDPYIYPJ-JXFKEZNVSA-N 1 0 363.465 2.663 10 30 FFEERO CN(CCOc1ccc(C=C2NC(=O)SC2=O)cc1)c1ccccn1 ZINC000118463700 508651286 /nfs/dbraw/zinc/65/12/86/508651286.db2.gz SBGOQFQSRUQILD-QINSGFPZSA-N 1 0 355.419 2.921 10 30 FFEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151305994 508996543 /nfs/dbraw/zinc/99/65/43/508996543.db2.gz FLEIOKVLSRJRBU-QGZVFWFLSA-N 1 0 358.486 2.760 10 30 FFEERO Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)nc1 ZINC000182851394 509458149 /nfs/dbraw/zinc/45/81/49/509458149.db2.gz WSRCKAUGKFJMIE-GOSISDBHSA-N 1 0 367.449 2.545 10 30 FFEERO CCOCC[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1CC ZINC000173680854 509716820 /nfs/dbraw/zinc/71/68/20/509716820.db2.gz OGLIKRPURXIGOQ-GOSISDBHSA-N 1 0 369.469 2.541 10 30 FFEERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CCO1 ZINC000180358477 509885334 /nfs/dbraw/zinc/88/53/34/509885334.db2.gz HKPXMLXNIYFJMI-MRXNPFEDSA-N 1 0 353.466 2.567 10 30 FFEERO CN(CCC#N)c1ccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000245807104 510150926 /nfs/dbraw/zinc/15/09/26/510150926.db2.gz YUAGZNXFANONGU-FQEVSTJZSA-N 1 0 364.497 2.927 10 30 FFEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177700838 510205647 /nfs/dbraw/zinc/20/56/47/510205647.db2.gz RMRBPWXWZHYJSD-UONOGXRCSA-N 1 0 360.527 2.852 10 30 FFEERO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)nc1 ZINC000245952714 510224602 /nfs/dbraw/zinc/22/46/02/510224602.db2.gz BKCFXPWGAOOCMG-RBUKOAKNSA-N 1 0 364.449 2.646 10 30 FFEERO CC[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000184329071 510265475 /nfs/dbraw/zinc/26/54/75/510265475.db2.gz AITZGROFPWXDKR-JKSUJKDBSA-N 1 0 360.458 2.552 10 30 FFEERO C=C(C)COCCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190727443 510310906 /nfs/dbraw/zinc/31/09/06/510310906.db2.gz MBFFOQKPALEPSB-MRXNPFEDSA-N 1 0 366.531 2.508 10 30 FFEERO Cn1cc(N2CCC[C@H]([NH2+]Cc3cccn3Cc3ccccc3C#N)C2)cn1 ZINC000188059657 510571151 /nfs/dbraw/zinc/57/11/51/510571151.db2.gz RKURAIWXLFMVAD-FQEVSTJZSA-N 1 0 374.492 2.900 10 30 FFEERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000182029940 510718646 /nfs/dbraw/zinc/71/86/46/510718646.db2.gz YBXPPZYEMXUWLO-FXAWDEMLSA-N 1 0 372.513 2.766 10 30 FFEERO Cc1csc([C@@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)n1 ZINC000328757897 511926986 /nfs/dbraw/zinc/92/69/86/511926986.db2.gz VIVTWLWUILSEBU-UYTSQGDYSA-N 1 0 364.515 2.754 10 30 FFEERO Nc1nccc([C@H]2CCCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)n1 ZINC000328753891 511927007 /nfs/dbraw/zinc/92/70/07/511927007.db2.gz SDBXEOYDPOASTP-LBPRGKRZSA-N 1 0 372.498 2.692 10 30 FFEERO CC(C)c1nc([C@H]2CCCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)no1 ZINC000328893331 511946830 /nfs/dbraw/zinc/94/68/30/511946830.db2.gz UIIYQPRXMVMZNB-AWEZNQCLSA-N 1 0 361.490 2.913 10 30 FFEERO C[C@@H](CCNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000329310166 512024813 /nfs/dbraw/zinc/02/48/13/512024813.db2.gz CEICLWVIVIQOKN-CGTJXYLNSA-N 1 0 358.486 2.862 10 30 FFEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000329605122 512076847 /nfs/dbraw/zinc/07/68/47/512076847.db2.gz LZHVHFSJMGYUPT-ZWKOTPCHSA-N 1 0 370.497 2.907 10 30 FFEERO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329718678 512090253 /nfs/dbraw/zinc/09/02/53/512090253.db2.gz ZESBIVTVVLYRNC-BFYDXBDKSA-N 1 0 350.507 2.852 10 30 FFEERO CCCCCCCS(=O)(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000195250512 729533671 /nfs/dbraw/zinc/53/36/71/729533671.db2.gz KNHAIIGDKXZQOL-UHFFFAOYSA-N 1 0 370.563 2.711 10 30 FFEERO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1CCOc2ccccc21 ZINC000262819169 729671881 /nfs/dbraw/zinc/67/18/81/729671881.db2.gz WKPNHDDXEXTXFU-VQIMIIECSA-N 1 0 362.543 2.503 10 30 FFEERO CC(C)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329283716 967616333 /nfs/dbraw/zinc/61/63/33/967616333.db2.gz OCSAELCJDOZNDI-INIZCTEOSA-N 1 0 361.534 2.683 10 30 FFEERO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000106281822 250262604 /nfs/dbraw/zinc/26/26/04/250262604.db2.gz GMUKULVATKMFEW-OAHLLOKOSA-N 1 0 369.494 2.993 10 30 FFEERO C=CCOc1ccc([C@H]2[NH2+][C@@](CC)(CO)[C@H]3CN(C)C[C@H]32)cc1Cl ZINC000065489735 221223899 /nfs/dbraw/zinc/22/38/99/221223899.db2.gz QJVYIUIBCQLBGJ-OHQAAIJDSA-N 1 0 350.890 2.868 10 30 FFEERO N#Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000333086585 258249223 /nfs/dbraw/zinc/24/92/23/258249223.db2.gz BQZNLWDUXXEWIY-NVXWUHKLSA-N 1 0 362.861 2.962 10 30 FFEERO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)sc2c1CCCC2 ZINC000333196680 258255650 /nfs/dbraw/zinc/25/56/50/258255650.db2.gz WLBPHQLVABMVKU-KKUMJFAQSA-N 1 0 373.522 2.920 10 30 FFEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042631500 506646153 /nfs/dbraw/zinc/64/61/53/506646153.db2.gz DPEHYZPMKIVRSO-GOSISDBHSA-N 1 0 363.546 2.914 10 30 FFEERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000060466025 507548265 /nfs/dbraw/zinc/54/82/65/507548265.db2.gz RQGBMUCUODNYQK-CABCVRRESA-N 1 0 357.454 2.840 10 30 FFEERO C#CCCOc1ccc(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000093271967 508131984 /nfs/dbraw/zinc/13/19/84/508131984.db2.gz MMFVSJNPPHHQDE-UHFFFAOYSA-N 1 0 350.466 2.899 10 30 FFEERO C=CCOc1cccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000098029870 508231843 /nfs/dbraw/zinc/23/18/43/508231843.db2.gz BEMTTXCUVCWSGG-MRXNPFEDSA-N 1 0 359.470 2.968 10 30 FFEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000113518250 508270100 /nfs/dbraw/zinc/27/01/00/508270100.db2.gz YBPHNWLFUNHRQI-MAUKXSAKSA-N 1 0 360.889 2.755 10 30 FFEERO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000156657278 508457188 /nfs/dbraw/zinc/45/71/88/508457188.db2.gz PXIVIPJOVVRHSV-QAPCUYQASA-N 1 0 368.399 2.589 10 30 FFEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC000116531276 508525786 /nfs/dbraw/zinc/52/57/86/508525786.db2.gz DHHYEEPOZKKZAH-PKOBYXMFSA-N 1 0 359.518 2.618 10 30 FFEERO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124213403 508798373 /nfs/dbraw/zinc/79/83/73/508798373.db2.gz TVAAGSGPIYKNJU-HXUWFJFHSA-N 1 0 372.513 2.837 10 30 FFEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119709862 508848011 /nfs/dbraw/zinc/84/80/11/508848011.db2.gz RTQBAVPKQLCPOV-LSDHHAIUSA-N 1 0 352.500 2.554 10 30 FFEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000156216532 509145645 /nfs/dbraw/zinc/14/56/45/509145645.db2.gz SVLKZWBRZRNDDQ-LJQANCHMSA-N 1 0 353.470 2.948 10 30 FFEERO CCOCC[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1CC ZINC000173680867 509716441 /nfs/dbraw/zinc/71/64/41/509716441.db2.gz OGLIKRPURXIGOQ-SFHVURJKSA-N 1 0 369.469 2.541 10 30 FFEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609152 510415440 /nfs/dbraw/zinc/41/54/40/510415440.db2.gz YHQYLAMSNPGEOA-INIZCTEOSA-N 1 0 360.458 2.531 10 30 FFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000175043048 510455114 /nfs/dbraw/zinc/45/51/14/510455114.db2.gz KXVXJXGXADMONH-LSDHHAIUSA-N 1 0 372.538 2.996 10 30 FFEERO C=CCSCCNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246914835 510743068 /nfs/dbraw/zinc/74/30/68/510743068.db2.gz NXXFNBVGHWTQAW-LSDHHAIUSA-N 1 0 369.556 2.728 10 30 FFEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000182094516 510754317 /nfs/dbraw/zinc/75/43/17/510754317.db2.gz BTUVJGYPALSZTI-KRWDZBQOSA-N 1 0 351.450 2.768 10 30 FFEERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771954 /nfs/dbraw/zinc/77/19/54/510771954.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 1 0 350.466 2.786 10 30 FFEERO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182198563 510808392 /nfs/dbraw/zinc/80/83/92/510808392.db2.gz NTSFLKHTAGFRLH-CQSZACIVSA-N 1 0 374.462 2.700 10 30 FFEERO N#Cc1ccc(C(F)(F)F)nc1N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333640594 511309743 /nfs/dbraw/zinc/30/97/43/511309743.db2.gz ICUFVHLFYOKSRU-ZFWWWQNUSA-N 1 0 354.376 2.695 10 30 FFEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000281417327 511839479 /nfs/dbraw/zinc/83/94/79/511839479.db2.gz ONSZRUPQEKDHFK-XNJHUCFUSA-N 1 0 373.522 2.987 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000329022952 511969442 /nfs/dbraw/zinc/96/94/42/511969442.db2.gz MTJQQILRUONTFK-LZQZEXGQSA-N 1 0 355.482 2.864 10 30 FFEERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329336900 512029568 /nfs/dbraw/zinc/02/95/68/512029568.db2.gz PLKVFXIPIIIRTL-JKSUJKDBSA-N 1 0 361.534 2.683 10 30 FFEERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329695444 512087549 /nfs/dbraw/zinc/08/75/49/512087549.db2.gz DBFVUNIYTOHNRM-KCYZZUKISA-N 1 0 350.507 2.993 10 30 FFEERO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccccc1Cl ZINC000074651811 728238472 /nfs/dbraw/zinc/23/84/72/728238472.db2.gz HBIVLJDDIFZORT-KGLIPLIRSA-N 1 0 371.934 2.779 10 30 FFEERO C=CCn1c(-c2ccco2)nn(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1=S ZINC000247190794 729595085 /nfs/dbraw/zinc/59/50/85/729595085.db2.gz VMJGCQFCIYREBV-CABCVRRESA-N 1 0 359.499 2.986 10 30 FFEERO C[C@@H]1CN([C@@H](CNC(=[NH2+])NC2CCCCC2)c2cccs2)CCO1 ZINC000262470941 729667040 /nfs/dbraw/zinc/66/70/40/729667040.db2.gz OUQDFMHNNVVESE-ZBFHGGJFSA-N 1 0 350.532 2.747 10 30 FFEERO C[C@H]1CN([C@@H](CNC(=[NH2+])NC2CCCCC2)c2cccs2)CCO1 ZINC000262470940 729667118 /nfs/dbraw/zinc/66/71/18/729667118.db2.gz OUQDFMHNNVVESE-HOCLYGCPSA-N 1 0 350.532 2.747 10 30 FFEERO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)NC1CCC(C(F)(F)F)CC1 ZINC000262767505 729670672 /nfs/dbraw/zinc/67/06/72/729670672.db2.gz HVNLKWCBAAIETJ-SSDMNJCBSA-N 1 0 366.497 2.710 10 30 FFEERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000329148222 967526137 /nfs/dbraw/zinc/52/61/37/967526137.db2.gz BESGAGVRLWORSE-DOTOQJQBSA-N 1 0 359.470 2.993 10 30 FFEERO CC(C)[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1nnc2ccccn21 ZINC000329389879 967673902 /nfs/dbraw/zinc/67/39/02/967673902.db2.gz SBHDZQVQVUYVAU-ZOBUZTSGSA-N 1 0 356.474 2.509 10 30 FFEERO 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N#Cc1cccc(OC2CCN(C(=O)NCCCC[NH+]3CCCC3)CC2)c1 ZINC000103859747 250163050 /nfs/dbraw/zinc/16/30/50/250163050.db2.gz XCWHNOMQEXLOJO-UHFFFAOYSA-N 1 0 370.497 2.987 10 30 FFEERO Cc1cccc(N2CC[NH+](CC[C@@H](C)Nc3nccnc3C#N)CC2)c1 ZINC000301183263 258032175 /nfs/dbraw/zinc/03/21/75/258032175.db2.gz NXWRGGLDSFTSIF-QGZVFWFLSA-N 1 0 350.470 2.669 10 30 FFEERO CN(CCC#N)c1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811311 508102182 /nfs/dbraw/zinc/10/21/82/508102182.db2.gz FWUUYOUGKHQXNE-UHFFFAOYSA-N 1 0 367.497 2.605 10 30 FFEERO N#CCCN(C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccccc1 ZINC000128418698 508589395 /nfs/dbraw/zinc/58/93/95/508589395.db2.gz UMCBCCPGVGJKTJ-RBUKOAKNSA-N 1 0 351.454 2.903 10 30 FFEERO CN(CCC#N)c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000120315652 508970872 /nfs/dbraw/zinc/97/08/72/508970872.db2.gz ICVYCIFQVQPFLA-UHFFFAOYSA-N 1 0 350.470 2.903 10 30 FFEERO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507817 509199022 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2.623 10 30 FFEERO C[N@H+](CCCOc1ccc(C#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000170942237 509862397 /nfs/dbraw/zinc/86/23/97/509862397.db2.gz ULBJPXKYVHPWDU-UHFFFAOYSA-N 1 0 367.497 2.620 10 30 FFEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000245456748 509946051 /nfs/dbraw/zinc/94/60/51/509946051.db2.gz BPBILPZIVRYZAI-QZTJIDSGSA-N 1 0 372.513 2.746 10 30 FFEERO C[C@@H]1C[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000245806855 510151559 /nfs/dbraw/zinc/15/15/59/510151559.db2.gz YPZMBVSVAHRJBJ-XEMDLRDOSA-N 1 0 355.482 2.796 10 30 FFEERO Cc1nc(C[C@@H]2CCCN([C@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000245843895 510165808 /nfs/dbraw/zinc/16/58/08/510165808.db2.gz HYACRJBLIRYGLG-HIFRSBDPSA-N 1 0 353.426 2.531 10 30 FFEERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763687 /nfs/dbraw/zinc/76/36/87/510763687.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 1 0 350.466 2.786 10 30 FFEERO O=C(C[C@@H]1CCCCNC1=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000328854269 511940645 /nfs/dbraw/zinc/94/06/45/511940645.db2.gz JMUCPBKPJDXYNB-YJBOKZPZSA-N 1 0 359.470 2.856 10 30 FFEERO C[C@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000328905293 511949479 /nfs/dbraw/zinc/94/94/79/511949479.db2.gz AQUWDNSKRUJWNW-ZFWWWQNUSA-N 1 0 351.520 2.556 10 30 FFEERO C[C@@H]1CC(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H](C)O1 ZINC000329245385 512012730 /nfs/dbraw/zinc/01/27/30/512012730.db2.gz VEJQKDBNNZTSGP-IAGOWNOFSA-N 1 0 367.534 2.729 10 30 FFEERO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329439165 512047480 /nfs/dbraw/zinc/04/74/80/512047480.db2.gz JWRFCSDPJIVZAA-DJIMGWMZSA-N 1 0 356.532 2.953 10 30 FFEERO CC(C)c1nc2c(n1C)CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC000329824005 512102120 /nfs/dbraw/zinc/10/21/20/512102120.db2.gz ZTGBYDGNIIIGNK-MQVJKMGUSA-N 1 0 359.518 2.831 10 30 FFEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000121308261 728624255 /nfs/dbraw/zinc/62/42/55/728624255.db2.gz 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Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000029257126 507771227 /nfs/dbraw/zinc/77/12/27/507771227.db2.gz PTUISNFPZQAWLK-HXUWFJFHSA-N 1 0 367.497 2.765 10 30 FFEERO CCc1cccc[n+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000029576520 507782906 /nfs/dbraw/zinc/78/29/06/507782906.db2.gz XBOLUBGQODARBT-SFHVURJKSA-N 1 0 353.442 2.671 10 30 FFEERO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110347982 508021874 /nfs/dbraw/zinc/02/18/74/508021874.db2.gz NVUVYQRDHIFEGX-IAGOWNOFSA-N 1 0 351.450 2.962 10 30 FFEERO N#Cc1cccc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000115157173 508372534 /nfs/dbraw/zinc/37/25/34/508372534.db2.gz LQYXKQCWPHGODI-NRFANRHFSA-N 1 0 363.461 2.734 10 30 FFEERO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183848 508397210 /nfs/dbraw/zinc/39/72/10/508397210.db2.gz AGEQMWBHNSFVDX-SFHVURJKSA-N 1 0 365.481 2.930 10 30 FFEERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000118798782 508674810 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359.518 2.720 10 30 FFEERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181554882 510469508 /nfs/dbraw/zinc/46/95/08/510469508.db2.gz FBIALZQQLWIMCP-IEBWSBKVSA-N 1 0 355.394 2.947 10 30 FFEERO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181554863 510470182 /nfs/dbraw/zinc/47/01/82/510470182.db2.gz FBIALZQQLWIMCP-MJGOQNOKSA-N 1 0 355.394 2.947 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000247084992 510829126 /nfs/dbraw/zinc/82/91/26/510829126.db2.gz HYEAJEKYKRCIGM-CABCVRRESA-N 1 0 372.538 2.996 10 30 FFEERO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247196869 510850977 /nfs/dbraw/zinc/85/09/77/510850977.db2.gz BRDJILQNTBJKOC-DYESRHJHSA-N 1 0 363.461 2.734 10 30 FFEERO Cn1cc([C@H]2[C@H](C[N@H+](C)CCNC(=O)C3CCCC3)CCCN2C)cn1 ZINC000328646136 511906595 /nfs/dbraw/zinc/90/65/95/511906595.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 1 0 361.534 2.882 10 30 FFEERO 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/nfs/dbraw/zinc/74/60/05/523746005.db2.gz JORLAHBRMWBRNE-YQVWRLOYSA-N 1 0 356.470 2.768 10 30 FFEERO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)CC1 ZINC000171714940 729011310 /nfs/dbraw/zinc/01/13/10/729011310.db2.gz KOUXVSHULFUBLQ-GDBMZVCRSA-N 1 0 353.507 2.692 10 30 FFEERO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261966516 729655815 /nfs/dbraw/zinc/65/58/15/729655815.db2.gz LOYLTOPMOMEFID-FJIDUMEYSA-N 1 0 352.567 2.721 10 30 FFEERO CC1CCN(C(=[NH2+])NC[C@H](c2cccs2)N2CCO[C@H](C)C2)CC1 ZINC000262495632 729667360 /nfs/dbraw/zinc/66/73/60/729667360.db2.gz WFUWXGXZXJFOGH-HZPDHXFCSA-N 1 0 350.532 2.557 10 30 FFEERO C[NH+](C)C1(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)Cc2ccccc2C1 ZINC000330151493 970575164 /nfs/dbraw/zinc/57/51/64/970575164.db2.gz LLNXJNDGPWXOPU-SIKLNZKXSA-N 1 0 371.525 2.627 10 30 FFEERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C#N ZINC000163230507 251179532 /nfs/dbraw/zinc/17/95/32/251179532.db2.gz BFCJPKBYBGQARS-KBPBESRZSA-N 1 0 371.462 2.640 10 30 FFEERO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n2c3ccccc3nc2c1C#N ZINC000328955287 258124977 /nfs/dbraw/zinc/12/49/77/258124977.db2.gz NFRUUUUFMDQRNZ-OALUTQOASA-N 1 0 361.449 2.577 10 30 FFEERO N#Cc1nc(-c2ccc(COc3ccc(F)cc3)o2)oc1N1CC[NH2+]CC1 ZINC000040165764 506477969 /nfs/dbraw/zinc/47/79/69/506477969.db2.gz GPVBBXOHLQLIHN-UHFFFAOYSA-N 1 0 368.368 2.934 10 30 FFEERO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1nc(OC)cc(OC)n1 ZINC000072428287 507789108 /nfs/dbraw/zinc/78/91/08/507789108.db2.gz SSPVXPHNGJZIKV-INIZCTEOSA-N 1 0 358.442 2.734 10 30 FFEERO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814197 507989199 /nfs/dbraw/zinc/98/91/99/507989199.db2.gz XXFGHAXJNUWJIC-IBGZPJMESA-N 1 0 362.433 2.624 10 30 FFEERO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000076075513 508156082 /nfs/dbraw/zinc/15/60/82/508156082.db2.gz MLHVRUAKMBEKRO-OALUTQOASA-N 1 0 355.482 2.917 10 30 FFEERO 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FFEERO CC(C)c1nnc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000195047166 510646197 /nfs/dbraw/zinc/64/61/97/510646197.db2.gz IUIWDCRILOHWRG-UHFFFAOYSA-N 1 0 352.486 2.518 10 30 FFEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330259539 510949426 /nfs/dbraw/zinc/94/94/26/510949426.db2.gz NMHNJXAHQAMDJI-IXDGSTSKSA-N 1 0 357.454 2.947 10 30 FFEERO CNC(=O)[C@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1c1cnn(C)c1 ZINC000329119828 511986604 /nfs/dbraw/zinc/98/66/04/511986604.db2.gz JXXPHCGXKOZQDB-BEVDRBHNSA-N 1 0 352.482 2.827 10 30 FFEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000329420779 512043099 /nfs/dbraw/zinc/04/30/99/512043099.db2.gz FHHWAQIXYMWJHG-QKPAOTATSA-N 1 0 350.507 2.708 10 30 FFEERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)NC ZINC000328630586 523746923 /nfs/dbraw/zinc/74/69/23/523746923.db2.gz JORLAHBRMWBRNE-JENIJYKNSA-N 1 0 356.470 2.768 10 30 FFEERO Cc1ccc([C@@H](CNC(=[NH2+])N2CCCCCC2)N2CCOCC2)s1 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508833710 /nfs/dbraw/zinc/83/37/10/508833710.db2.gz OVLLKRBNHPGMEL-LJQANCHMSA-N 1 0 352.482 2.814 10 30 FFEERO N#CCCCOc1cccnc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000188743228 509241461 /nfs/dbraw/zinc/24/14/61/509241461.db2.gz XJSATTKBEOYWCW-UHFFFAOYSA-N 1 0 357.458 2.856 10 30 FFEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1 ZINC000249036368 509578069 /nfs/dbraw/zinc/57/80/69/509578069.db2.gz STGXEUQJPWPFIE-GOEBONIOSA-N 1 0 355.442 2.806 10 30 FFEERO C=CCCO[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000251714003 509817667 /nfs/dbraw/zinc/81/76/67/509817667.db2.gz KRVITEUYVSTOQZ-JKSUJKDBSA-N 1 0 351.516 2.713 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000252444687 509837542 /nfs/dbraw/zinc/83/75/42/509837542.db2.gz ZQSGIHVWSIKRPQ-VQIMIIECSA-N 1 0 364.449 2.624 10 30 FFEERO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000183654244 509908237 /nfs/dbraw/zinc/90/82/37/509908237.db2.gz JUOTVDVLDLWSSP-FXAWDEMLSA-N 1 0 351.450 2.953 10 30 FFEERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(C#N)n1 ZINC000174739629 510282942 /nfs/dbraw/zinc/28/29/42/510282942.db2.gz SLXBJZZTHBQDMD-FQEVSTJZSA-N 1 0 350.466 2.835 10 30 FFEERO N#Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000246345373 510437646 /nfs/dbraw/zinc/43/76/46/510437646.db2.gz VIYQHYWQGFARRH-FXAWDEMLSA-N 1 0 353.466 2.802 10 30 FFEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000194664161 510471494 /nfs/dbraw/zinc/47/14/94/510471494.db2.gz DNUMOGXJZPWXOP-MRXNPFEDSA-N 1 0 353.422 2.944 10 30 FFEERO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@@H+](C3CC3)CC1)CCC2 ZINC000172347053 510683456 /nfs/dbraw/zinc/68/34/56/510683456.db2.gz IAVQNCAZLIHNLX-UHFFFAOYSA-N 1 0 358.511 2.607 10 30 FFEERO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195290774 510763385 /nfs/dbraw/zinc/76/33/85/510763385.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 1 0 358.530 2.648 10 30 FFEERO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195327647 510786907 /nfs/dbraw/zinc/78/69/07/510786907.db2.gz DOXMXBXGGOPEOI-IRXDYDNUSA-N 1 0 357.479 2.943 10 30 FFEERO CC(C)c1nc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)no1 ZINC000195374248 510804059 /nfs/dbraw/zinc/80/40/59/510804059.db2.gz OSYAQDMOOYUDJN-DOTOQJQBSA-N 1 0 356.426 2.641 10 30 FFEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000247404777 510859853 /nfs/dbraw/zinc/85/98/53/510859853.db2.gz RHKTXINTBHBGGG-PKOBYXMFSA-N 1 0 370.497 2.558 10 30 FFEERO C[C@H](NC(=O)[C@H](C)N1CCN(C)[C@H](c2nccn2C)C1)c1ccccc1 ZINC000329966698 510889081 /nfs/dbraw/zinc/88/90/81/510889081.db2.gz VRJKREZXRSBWJV-BQFCYCMXSA-N 1 0 355.486 2.815 10 30 FFEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000330223373 510941789 /nfs/dbraw/zinc/94/17/89/510941789.db2.gz SIALYGZXBQXRBL-UKBAYJJMSA-N 1 0 354.454 2.900 10 30 FFEERO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000310961583 511775092 /nfs/dbraw/zinc/77/50/92/511775092.db2.gz 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C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000083477942 728412431 /nfs/dbraw/zinc/41/24/31/728412431.db2.gz MPZRUDPWARQBIB-NJZAAPMLSA-N 1 0 351.292 2.601 10 30 FFEERO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261963461 729655627 /nfs/dbraw/zinc/65/56/27/729655627.db2.gz KVUCBDSECLPYDZ-ZIAGYGMSSA-N 1 0 351.564 2.834 10 30 FFEERO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2C#N)CC1 ZINC000105961095 209269402 /nfs/dbraw/zinc/26/94/02/209269402.db2.gz VTCFNZHRZORBKA-UHFFFAOYSA-N 1 0 355.891 2.705 10 30 FFEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000106182087 250251713 /nfs/dbraw/zinc/25/17/13/250251713.db2.gz RSISTZCGBMNLEE-GOSISDBHSA-N 1 0 366.469 2.507 10 30 FFEERO CCCCCCCCC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000043664374 506765233 /nfs/dbraw/zinc/76/52/33/506765233.db2.gz SGCLFLFTRSYKHC-SFHVURJKSA-N 1 0 350.503 2.883 10 30 FFEERO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000067531383 506911941 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C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000118798784 508674896 /nfs/dbraw/zinc/67/48/96/508674896.db2.gz SOLRQZNTPPRWBP-NRFANRHFSA-N 1 0 363.461 2.881 10 30 FFEERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123801798 508740370 /nfs/dbraw/zinc/74/03/70/508740370.db2.gz LTPZJJDYARHLOR-UZLBHIALSA-N 1 0 360.465 2.601 10 30 FFEERO N#Cc1c2c(sc1NC(=O)CCN1CC[N@@H+]3CCCC[C@H]3C1)CCC2 ZINC000172802976 509245211 /nfs/dbraw/zinc/24/52/11/509245211.db2.gz CPNSBYNACMNHKD-AWEZNQCLSA-N 1 0 358.511 2.607 10 30 FFEERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000191986136 509279028 /nfs/dbraw/zinc/27/90/28/509279028.db2.gz VFEOQQBEQNQWNM-UHFFFAOYSA-N 1 0 373.497 2.675 10 30 FFEERO CCO[C@@H]1C[C@@](O)(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000188917408 509323919 /nfs/dbraw/zinc/32/39/19/509323919.db2.gz NASWINOWTJMWIN-WIYYLYMNSA-N 1 0 368.481 2.614 10 30 FFEERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000176548415 509576628 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2.834 10 30 FFEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000190449683 510138274 /nfs/dbraw/zinc/13/82/74/510138274.db2.gz VTHICKUGZSRKPL-KRWDZBQOSA-N 1 0 351.410 2.820 10 30 FFEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000190449457 510138458 /nfs/dbraw/zinc/13/84/58/510138458.db2.gz VBLLNFXEBVWPSO-KRWDZBQOSA-N 1 0 351.410 2.820 10 30 FFEERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524864 510206631 /nfs/dbraw/zinc/20/66/31/510206631.db2.gz ZXNAKBPEUQGEJB-GOSISDBHSA-N 1 0 351.454 2.983 10 30 FFEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190583837 510222694 /nfs/dbraw/zinc/22/26/94/510222694.db2.gz LPLDRZMLZCEPRB-MRXNPFEDSA-N 1 0 352.413 2.686 10 30 FFEERO N#CC1(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCC1 ZINC000174859557 510349854 /nfs/dbraw/zinc/34/98/54/510349854.db2.gz HDIWFKYWLDYYRU-IBGZPJMESA-N 1 0 355.482 2.632 10 30 FFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OCCOC 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KNSGLWDWROFAQX-ZWKOTPCHSA-N 1 0 359.470 2.999 10 30 FFEERO O=C(NCc1cn2c(n1)CCCC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328841783 511938397 /nfs/dbraw/zinc/93/83/97/511938397.db2.gz OXXKABZBZXMKBV-UHFFFAOYSA-N 1 0 359.518 2.878 10 30 FFEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093037 511982315 /nfs/dbraw/zinc/98/23/15/511982315.db2.gz KCMKGAMLWCESOX-HOCLYGCPSA-N 1 0 363.531 2.843 10 30 FFEERO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329154846 511994975 /nfs/dbraw/zinc/99/49/75/511994975.db2.gz UWEXWEWQINFXEJ-CQSZACIVSA-N 1 0 365.861 2.695 10 30 FFEERO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329190622 512001518 /nfs/dbraw/zinc/00/15/18/512001518.db2.gz RXVPQXOMJMSBBT-CCLIWJKGSA-N 1 0 357.502 2.915 10 30 FFEERO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCc2cncnc2C1 ZINC000329270905 512016968 /nfs/dbraw/zinc/01/69/68/512016968.db2.gz HRRXDRBPODLUFC-UHFFFAOYSA-N 1 0 357.502 2.938 10 30 FFEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)CCC[N@@H+]1C ZINC000329444191 512047438 /nfs/dbraw/zinc/04/74/38/512047438.db2.gz KOTCFRRHJWYTLM-LSTDLKDCSA-N 1 0 359.518 2.982 10 30 FFEERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329695448 512087239 /nfs/dbraw/zinc/08/72/39/512087239.db2.gz DBFVUNIYTOHNRM-PNBKFKSVSA-N 1 0 350.507 2.993 10 30 FFEERO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177148 512694896 /nfs/dbraw/zinc/69/48/96/512694896.db2.gz VDRBVBAQRYYZRQ-SPOLIRPYSA-N 1 0 361.530 2.979 10 30 FFEERO Cc1cncc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328618915 526207662 /nfs/dbraw/zinc/20/76/62/526207662.db2.gz FESZJIDGZQLUBT-MAUKXSAKSA-N 1 0 356.474 2.684 10 30 FFEERO C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261960942 729655786 /nfs/dbraw/zinc/65/57/86/729655786.db2.gz KCQQIPVPSSGIEP-UKRRQHHQSA-N 1 0 361.515 2.797 10 30 FFEERO Cc1ccc([C@H](CNC(=[NH2+])NC2CCCCC2)N2CCOCC2)s1 ZINC000262450115 729666423 /nfs/dbraw/zinc/66/64/23/729666423.db2.gz JQOIVZJLIIXXMO-INIZCTEOSA-N 1 0 350.532 2.667 10 30 FFEERO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCCNC1=O ZINC000328759657 729795184 /nfs/dbraw/zinc/79/51/84/729795184.db2.gz WYLIYCVZYOZZFA-DZGCQCFKSA-N 1 0 350.488 2.583 10 30 FFEERO Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000330115456 970403646 /nfs/dbraw/zinc/40/36/46/970403646.db2.gz FQBGVYWCCFKVBQ-PKOBYXMFSA-N 1 0 372.513 2.517 10 30 FFEERO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000107707618 250310942 /nfs/dbraw/zinc/31/09/42/250310942.db2.gz XXBIMZKDYSSNPE-HNNXBMFYSA-N 1 0 367.902 2.851 10 30 FFEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628369 506645279 /nfs/dbraw/zinc/64/52/79/506645279.db2.gz ZHQVFZDTQFLIBL-GOSISDBHSA-N 1 0 361.530 2.690 10 30 FFEERO N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000107873925 507872293 /nfs/dbraw/zinc/87/22/93/507872293.db2.gz HZGFFNINMGNZHG-MRXNPFEDSA-N 1 0 374.872 2.627 10 30 FFEERO COc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1OCCCC#N ZINC000092648163 508089723 /nfs/dbraw/zinc/08/97/23/508089723.db2.gz YYWRBRWZBAVHON-UHFFFAOYSA-N 1 0 355.442 2.806 10 30 FFEERO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CCCCC1 ZINC000076075511 508156173 /nfs/dbraw/zinc/15/61/73/508156173.db2.gz MLHVRUAKMBEKRO-RBUKOAKNSA-N 1 0 355.482 2.917 10 30 FFEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249988 508344224 /nfs/dbraw/zinc/34/42/24/508344224.db2.gz WBELGGYRBNGDHY-IRXDYDNUSA-N 1 0 374.533 2.673 10 30 FFEERO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000158236589 508676455 /nfs/dbraw/zinc/67/64/55/508676455.db2.gz PRKIDTQFCLWLJR-HNNXBMFYSA-N 1 0 357.454 2.793 10 30 FFEERO Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](Oc3cccnc3)C2)c(C#N)c1C ZINC000154641516 508824453 /nfs/dbraw/zinc/82/44/53/508824453.db2.gz ZIKFGLIKLUARLE-CJNGLKHVSA-N 1 0 354.410 2.643 10 30 FFEERO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCn3nc(COC)nc32)c(O)c1 ZINC000155087330 508919756 /nfs/dbraw/zinc/91/97/56/508919756.db2.gz RBCPNAHUBHSHDL-DORSJAEJSA-N 1 0 357.458 2.930 10 30 FFEERO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120196850 508948259 /nfs/dbraw/zinc/94/82/59/508948259.db2.gz BXJUQEPJNGJBEJ-FUHWJXTLSA-N 1 0 351.454 2.868 10 30 FFEERO CN(CCC#N)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120234378 508956258 /nfs/dbraw/zinc/95/62/58/508956258.db2.gz YUAGZNXFANONGU-HXUWFJFHSA-N 1 0 364.497 2.927 10 30 FFEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000132401284 509026482 /nfs/dbraw/zinc/02/64/82/509026482.db2.gz LVTJIEAKUXJCJM-UZLBHIALSA-N 1 0 370.497 2.840 10 30 FFEERO CN(c1cccnn1)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156142593 509133596 /nfs/dbraw/zinc/13/35/96/509133596.db2.gz FJIUMMKVQOPCDD-UHFFFAOYSA-N 1 0 351.454 2.718 10 30 FFEERO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505197 509199832 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MVSQETKOJSXFMC-ZMSDIMECSA-N 1 0 365.547 2.544 10 30 FFEERO Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C2)n1 ZINC000329075044 511977980 /nfs/dbraw/zinc/97/79/80/511977980.db2.gz PLWNHPFWGORFIK-ZACQAIPSSA-N 1 0 355.442 2.527 10 30 FFEERO CNC(=O)[C@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1c1cnn(C)c1 ZINC000329119829 511986994 /nfs/dbraw/zinc/98/69/94/511986994.db2.gz JXXPHCGXKOZQDB-YSGRDPCXSA-N 1 0 352.482 2.827 10 30 FFEERO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329526236 512063664 /nfs/dbraw/zinc/06/36/64/512063664.db2.gz HKSJNEPSXBNRCX-VYDXJSESSA-N 1 0 359.470 2.819 10 30 FFEERO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000386461259 512889785 /nfs/dbraw/zinc/88/97/85/512889785.db2.gz SQVHFCSEBKWFOJ-INIZCTEOSA-N 1 0 357.479 2.666 10 30 FFEERO C[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)[N+]12CCN(CC1)CC2 ZINC000022308253 717113546 /nfs/dbraw/zinc/11/35/46/717113546.db2.gz DPQJEGUHQIFSBH-FQEVSTJZSA-N 1 0 364.513 2.750 10 30 FFEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)N1CCO[C@H](C)C1 ZINC000249710994 717165168 /nfs/dbraw/zinc/16/51/68/717165168.db2.gz VRHIVAGCUYWEQL-QKFKETGDSA-N 1 0 374.461 2.501 10 30 FFEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H](C)c1ccccc1Br ZINC000074717378 728238642 /nfs/dbraw/zinc/23/86/42/728238642.db2.gz IJSAFISOAYDVLP-LBPRGKRZSA-N 1 0 369.307 2.542 10 30 FFEERO C=CC[NH+]1CCC(NC(=O)c2cc3oc(Br)cc3n2C)CC1 ZINC000223701122 729547210 /nfs/dbraw/zinc/54/72/10/729547210.db2.gz PWTCPUXRDFCKTG-UHFFFAOYSA-N 1 0 366.259 2.914 10 30 FFEERO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCC[C@H]1C#N ZINC000262330667 729663698 /nfs/dbraw/zinc/66/36/98/729663698.db2.gz AXOSSLJJKGKBNE-GXTWGEPZSA-N 1 0 358.833 2.747 10 30 FFEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)N(C)Cc1ccc(Br)s1 ZINC000262776359 729670994 /nfs/dbraw/zinc/67/09/94/729670994.db2.gz JKLBVBVKXYZEKX-CMPLNLGQSA-N 1 0 360.321 2.679 10 30 FFEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N(C)Cc1ccc(Br)s1 ZINC000262776361 729671018 /nfs/dbraw/zinc/67/10/18/729671018.db2.gz JKLBVBVKXYZEKX-JQWIXIFHSA-N 1 0 360.321 2.679 10 30 FFEERO CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262821736 729672038 /nfs/dbraw/zinc/67/20/38/729672038.db2.gz YKQBCUVJOFAITD-MWDXBVQZSA-N 1 0 365.905 2.742 10 30 FFEERO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329281480 967616205 /nfs/dbraw/zinc/61/62/05/967616205.db2.gz NHAWSEZREHLOGE-MRXNPFEDSA-N 1 0 361.534 2.826 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000106040434 1005228827 /nfs/dbraw/zinc/22/88/27/1005228827.db2.gz VMOJXTIRFLKDIW-KRWDZBQOSA-N 1 0 355.482 2.505 10 30 FFEERO C=CCC[C@H](CN(C)CC[NH+](C)C)Oc1ccc(-c2nc(C)no2)cn1 ZINC000072453560 210065272 /nfs/dbraw/zinc/06/52/72/210065272.db2.gz DLOLKQZWDKAHIN-QGZVFWFLSA-N 1 0 359.474 2.647 10 30 FFEERO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000106369964 250265223 /nfs/dbraw/zinc/26/52/23/250265223.db2.gz SXCGPNFVNMEXDX-UHFFFAOYSA-N 1 0 351.454 2.802 10 30 FFEERO COc1cc(/C=C/C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1OCC#N ZINC000066944894 506706045 /nfs/dbraw/zinc/70/60/45/506706045.db2.gz FCKBAWPWODNMCH-KOEDOTQGSA-N 1 0 369.465 2.698 10 30 FFEERO N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000107666615 507861923 /nfs/dbraw/zinc/86/19/23/507861923.db2.gz HTVZZJIZAIELPB-INIZCTEOSA-N 1 0 374.872 2.627 10 30 FFEERO C=CCOc1cccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000098029871 508231438 /nfs/dbraw/zinc/23/14/38/508231438.db2.gz BEMTTXCUVCWSGG-INIZCTEOSA-N 1 0 359.470 2.968 10 30 FFEERO N#CCOc1ccc(/C=C/C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000112919171 508233449 /nfs/dbraw/zinc/23/34/49/508233449.db2.gz YZFVLUYMAWZJNE-VMPITWQZSA-N 1 0 353.466 2.937 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000106039760 508390144 /nfs/dbraw/zinc/39/01/44/508390144.db2.gz RHKBKBURTMQXKR-QGZVFWFLSA-N 1 0 359.495 2.646 10 30 FFEERO C[NH+](C)C[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000128149442 508554393 /nfs/dbraw/zinc/55/43/93/508554393.db2.gz MXJDLINXNHHQPS-QFIPXVFZSA-N 1 0 365.477 2.900 10 30 FFEERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000128514685 508604618 /nfs/dbraw/zinc/60/46/18/508604618.db2.gz UXCOWRRIGMIDDY-WMLDXEAASA-N 1 0 356.422 2.666 10 30 FFEERO COCC[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000120786838 509064315 /nfs/dbraw/zinc/06/43/15/509064315.db2.gz IOJQRAWLUAGJNM-GOSISDBHSA-N 1 0 367.497 2.616 10 30 FFEERO CN1CCC(CNC(=O)/C=C/c2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000172753963 509215855 /nfs/dbraw/zinc/21/58/55/509215855.db2.gz VILPHHTXXKXMSH-CMDGGOBGSA-N 1 0 366.509 2.638 10 30 FFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ncccc1OCCCC#N ZINC000248886098 509528422 /nfs/dbraw/zinc/52/84/22/509528422.db2.gz XXJJSQWVXOWMGI-HOTGVXAUSA-N 1 0 357.458 2.855 10 30 FFEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189347390 509531366 /nfs/dbraw/zinc/53/13/66/509531366.db2.gz FRRCSHRWRSXZQN-HXUWFJFHSA-N 1 0 374.488 2.965 10 30 FFEERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000176548398 509577015 /nfs/dbraw/zinc/57/70/15/509577015.db2.gz YWDXUEAOVDZFLB-KRWDZBQOSA-N 1 0 370.840 2.569 10 30 FFEERO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000187179311 510104650 /nfs/dbraw/zinc/10/46/50/510104650.db2.gz ZFUNAGGLNIETAZ-UHFFFAOYSA-N 1 0 362.477 2.995 10 30 FFEERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524867 510207139 /nfs/dbraw/zinc/20/71/39/510207139.db2.gz ZXNAKBPEUQGEJB-SFHVURJKSA-N 1 0 351.454 2.983 10 30 FFEERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000184347300 510276607 /nfs/dbraw/zinc/27/66/07/510276607.db2.gz OWFYTITXGUSAGG-CVEARBPZSA-N 1 0 374.485 2.534 10 30 FFEERO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000330077949 510912245 /nfs/dbraw/zinc/91/22/45/510912245.db2.gz NFNGYUAZXOABNQ-QKYXUNIQSA-N 1 0 368.481 2.901 10 30 FFEERO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cs1 ZINC000330196580 510935084 /nfs/dbraw/zinc/93/50/84/510935084.db2.gz QMVOEFYKQDGVEU-YOEHRIQHSA-N 1 0 365.547 2.528 10 30 FFEERO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000330222062 510941215 /nfs/dbraw/zinc/94/12/15/510941215.db2.gz MCOOGIJAKZKWKO-MTFMMBMASA-N 1 0 374.529 2.633 10 30 FFEERO Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000330320073 510963281 /nfs/dbraw/zinc/96/32/81/510963281.db2.gz DUGYETBLRJACEY-PKOBYXMFSA-N 1 0 370.501 2.552 10 30 FFEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@H]([NH+]3CCCC3)C1)CCC2 ZINC000328721692 511920746 /nfs/dbraw/zinc/92/07/46/511920746.db2.gz RLPOOKIQTQBOMH-ROUUACIJSA-N 1 0 359.518 2.933 10 30 FFEERO C[C@H](NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)C(=O)N1CCCC[C@H]1C ZINC000328955550 511955550 /nfs/dbraw/zinc/95/55/50/511955550.db2.gz OVOAASLLMQSKOF-WCXIOVBPSA-N 1 0 358.486 2.900 10 30 FFEERO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)c2)CCC[N@@H+]1C ZINC000329196460 512002893 /nfs/dbraw/zinc/00/28/93/512002893.db2.gz SXGFCVQIFHLYPQ-IFXJQAMLSA-N 1 0 369.469 2.786 10 30 FFEERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@@H]1c3ccccc3C[C@@H]1O)C2 ZINC000329283688 512020121 /nfs/dbraw/zinc/02/01/21/512020121.db2.gz OCBQUIBRMITKQR-URLQWDBASA-N 1 0 368.481 2.657 10 30 FFEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC3(C2)CCCCC3)CCC[N@@H+]1C ZINC000329334841 512029098 /nfs/dbraw/zinc/02/90/98/512029098.db2.gz KYEPBMZTWALFDT-FUHWJXTLSA-N 1 0 359.518 2.983 10 30 FFEERO CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)N(C)Cc1nc2c(s1)CCCC2 ZINC000086064876 728431694 /nfs/dbraw/zinc/43/16/94/728431694.db2.gz WMQIJSXROXVUKV-DZGCQCFKSA-N 1 0 350.532 2.580 10 30 FFEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@H](C)c1ccccc1Br ZINC000131200790 728721705 /nfs/dbraw/zinc/72/17/05/728721705.db2.gz FWUIMRYVVYJUBV-CYBMUJFWSA-N 1 0 364.291 2.880 10 30 FFEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262755607 729670334 /nfs/dbraw/zinc/67/03/34/729670334.db2.gz BAVBZTYBGBJISJ-MWDXBVQZSA-N 1 0 365.905 2.742 10 30 FFEERO CC[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262786713 729670925 /nfs/dbraw/zinc/67/09/25/729670925.db2.gz MQAOPKXLTGEJRP-NXOAAHMSSA-N 1 0 365.905 2.742 10 30 FFEERO C[NH+]=C(NC[C@H](c1cccs1)N1CCO[C@@H](C)C1)NC1CCCC1 ZINC000262836794 729672445 /nfs/dbraw/zinc/67/24/45/729672445.db2.gz SQOGFVUJBMTPLY-GOEBONIOSA-N 1 0 350.532 2.618 10 30 FFEERO C[NH+]=C(NC[C@H](c1ccc(C)s1)N1CCOCC1)NC1CCCC1 ZINC000262852455 729672674 /nfs/dbraw/zinc/67/26/74/729672674.db2.gz XEBRFZBOQAGHFS-MRXNPFEDSA-N 1 0 350.532 2.537 10 30 FFEERO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000328755052 963278446 /nfs/dbraw/zinc/27/84/46/963278446.db2.gz DZVZCYWQUSQZEN-SFHVURJKSA-N 1 0 372.513 2.683 10 30 FFEERO Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)c1 ZINC000330129603 970441154 /nfs/dbraw/zinc/44/11/54/970441154.db2.gz KBIJXUVAZZYMIN-HKUYNNGSSA-N 1 0 372.513 2.517 10 30 FFEERO C=CCc1cc(OCC)cc(C[NH+]2CCN(Cc3nccn3C)CC2)c1O ZINC000106063556 1005230881 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355.273 2.857 10 30 FFEERO C[C@H](NC(NCC(=O)N(C)C)=[NH+]C1CCCC1)c1ccc(F)c(F)c1 ZINC000262346563 729664135 /nfs/dbraw/zinc/66/41/35/729664135.db2.gz YANCWSDRNUGEPB-LBPRGKRZSA-N 1 0 352.429 2.592 10 30 FFEERO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@H]1CCOc2ccccc21 ZINC000262818586 729671686 /nfs/dbraw/zinc/67/16/86/729671686.db2.gz WKPNHDDXEXTXFU-QFBILLFUSA-N 1 0 362.543 2.503 10 30 FFEERO N#Cc1c(Br)cccc1N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333889258 729812121 /nfs/dbraw/zinc/81/21/21/729812121.db2.gz WRGOMNKJIAJHMR-ZBFHGGJFSA-N 1 0 350.260 2.653 10 30 FFEERO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329305865 967635394 /nfs/dbraw/zinc/63/53/94/967635394.db2.gz YMFXDHYQXLYRSR-FQEVSTJZSA-N 1 0 357.498 2.907 10 30 FFEERO COc1ccccc1C(=O)N[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)C(C)C ZINC000329304873 967635501 /nfs/dbraw/zinc/63/55/01/967635501.db2.gz YATVJVDVNQSPON-IBGZPJMESA-N 1 0 373.497 2.721 10 30 FFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654755 967916783 /nfs/dbraw/zinc/91/67/83/967916783.db2.gz MAAXGXBQQOPVQB-DOTOQJQBSA-N 1 0 359.470 2.995 10 30 FFEERO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(OC)c1 ZINC000051404339 507767702 /nfs/dbraw/zinc/76/77/02/507767702.db2.gz NVPGLDDEGFBSDJ-QYZOEREBSA-N 1 0 361.482 2.807 10 30 FFEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)CC1 ZINC000083655137 508250975 /nfs/dbraw/zinc/25/09/75/508250975.db2.gz YUDDXIXNHBROIF-INIZCTEOSA-N 1 0 373.497 2.853 10 30 FFEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000156216652 509146234 /nfs/dbraw/zinc/14/62/34/509146234.db2.gz SVLKZWBRZRNDDQ-IBGZPJMESA-N 1 0 353.470 2.948 10 30 FFEERO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504715 509196936 /nfs/dbraw/zinc/19/69/36/509196936.db2.gz KSCOJVYYYBAXPG-BATSVXPKSA-N 1 0 371.529 2.919 10 30 FFEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000189245475 509481058 /nfs/dbraw/zinc/48/10/58/509481058.db2.gz FKKSNLSXPMMNIE-AWEZNQCLSA-N 1 0 370.478 2.623 10 30 FFEERO CCO[C@H]1C[C@](O)(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000189420275 509567335 /nfs/dbraw/zinc/56/73/35/509567335.db2.gz SBESJRDIYQYDOL-UNMCSNQZSA-N 1 0 371.525 2.678 10 30 FFEERO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000245987451 510239576 /nfs/dbraw/zinc/23/95/76/510239576.db2.gz KLWUUBYZCSADMN-GOEBONIOSA-N 1 0 371.510 2.776 10 30 FFEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000246080270 510280074 /nfs/dbraw/zinc/28/00/74/510280074.db2.gz HVUJIRJUDDMQNF-AAEUAGOBSA-N 1 0 350.369 2.860 10 30 FFEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609132 510415005 /nfs/dbraw/zinc/41/50/05/510415005.db2.gz YHQYLAMSNPGEOA-MRXNPFEDSA-N 1 0 360.458 2.531 10 30 FFEERO N#Cc1c(NC(=O)CCN2CC[N@@H+]3CCC[C@H]3C2)sc2c1CCCC2 ZINC000246575943 510565729 /nfs/dbraw/zinc/56/57/29/510565729.db2.gz RUIAWZKSIQQHHS-AWEZNQCLSA-N 1 0 358.511 2.607 10 30 FFEERO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000172183277 510588358 /nfs/dbraw/zinc/58/83/58/510588358.db2.gz CYBFTIPGQCGTMM-KBXCAEBGSA-N 1 0 363.417 2.786 10 30 FFEERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000182029906 510719070 /nfs/dbraw/zinc/71/90/70/510719070.db2.gz YBXPPZYEMXUWLO-PXNSSMCTSA-N 1 0 372.513 2.766 10 30 FFEERO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000247058026 510820836 /nfs/dbraw/zinc/82/08/36/510820836.db2.gz ZPTBHJWPKAJFRJ-MNEFBYGVSA-N 1 0 361.461 2.722 10 30 FFEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000247085005 510829253 /nfs/dbraw/zinc/82/92/53/510829253.db2.gz HYEAJEKYKRCIGM-GJZGRUSLSA-N 1 0 372.538 2.996 10 30 FFEERO CC1CC[NH+](C2CCC(NC(=O)N3CCc4cncnc4C3)CC2)CC1 ZINC000328643783 511904045 /nfs/dbraw/zinc/90/40/45/511904045.db2.gz AKUQUIKDLMRWED-UHFFFAOYSA-N 1 0 357.502 2.792 10 30 FFEERO C[C@H]1CCSCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329409816 512040235 /nfs/dbraw/zinc/04/02/35/512040235.db2.gz BQRZRULVBSLOEU-YQQAZPJKSA-N 1 0 365.547 2.544 10 30 FFEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000329605121 512076556 /nfs/dbraw/zinc/07/65/56/512076556.db2.gz LZHVHFSJMGYUPT-ROUUACIJSA-N 1 0 370.497 2.907 10 30 FFEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000328620960 521614292 /nfs/dbraw/zinc/61/42/92/521614292.db2.gz HMLDXEFXMROULA-MAUKXSAKSA-N 1 0 356.474 2.766 10 30 FFEERO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCC[C@@H]1C#N ZINC000262331062 729663747 /nfs/dbraw/zinc/66/37/47/729663747.db2.gz AXOSSLJJKGKBNE-TZMCWYRMSA-N 1 0 358.833 2.747 10 30 FFEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262786690 729670916 /nfs/dbraw/zinc/67/09/16/729670916.db2.gz MPXCACFMJPGBHT-PKOBYXMFSA-N 1 0 365.905 2.841 10 30 FFEERO C[NH+](C)Cc1cc(O[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)ccn1 ZINC000886041121 733742490 /nfs/dbraw/zinc/74/24/90/733742490.db2.gz WNFLBRUASICGDJ-INIZCTEOSA-N 1 0 357.845 2.721 10 30 FFEERO COCCN(CC#Cc1ccccc1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065460891 210099510 /nfs/dbraw/zinc/09/95/10/210099510.db2.gz BASATUZQOMCNML-UHFFFAOYSA-N 1 0 360.461 2.636 10 30 FFEERO CCOCC[N@@H+]1CCN(c2ccc(Br)cc2C#N)C[C@@H]1C ZINC000302162826 258092203 /nfs/dbraw/zinc/09/22/03/258092203.db2.gz KDUSDEAUTBJUES-ZDUSSCGKSA-N 1 0 352.276 2.868 10 30 FFEERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000049380641 507618150 /nfs/dbraw/zinc/61/81/50/507618150.db2.gz WKFGCFFHOAJPCO-KRWDZBQOSA-N 1 0 370.840 2.569 10 30 FFEERO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000076075520 508156305 /nfs/dbraw/zinc/15/63/05/508156305.db2.gz MLHVRUAKMBEKRO-MOPGFXCFSA-N 1 0 355.482 2.917 10 30 FFEERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000156455074 508423781 /nfs/dbraw/zinc/42/37/81/508423781.db2.gz WPHAUGXEEGCARG-NSHDSACASA-N 1 0 363.405 2.586 10 30 FFEERO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117495619 508602758 /nfs/dbraw/zinc/60/27/58/508602758.db2.gz KAZYMZHTYZGCQV-GOSISDBHSA-N 1 0 361.486 2.504 10 30 FFEERO CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000159916983 508911260 /nfs/dbraw/zinc/91/12/60/508911260.db2.gz VAPJTPMGVNKCLY-WBVHZDCISA-N 1 0 370.415 2.714 10 30 FFEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000248400591 509297211 /nfs/dbraw/zinc/29/72/11/509297211.db2.gz QIVBRUFQQOGLMO-OXJNMPFZSA-N 1 0 373.464 2.856 10 30 FFEERO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000182570604 509308590 /nfs/dbraw/zinc/30/85/90/509308590.db2.gz YPRLHJAIKPKJLZ-MEDUHNTESA-N 1 0 350.260 2.908 10 30 FFEERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@H]12 ZINC000248628949 509399623 /nfs/dbraw/zinc/39/96/23/509399623.db2.gz VWOKFLXVJVKQFT-FCGDIQPGSA-N 1 0 371.481 2.827 10 30 FFEERO CN(C)c1cc[n+]([C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC000192398613 509502576 /nfs/dbraw/zinc/50/25/76/509502576.db2.gz SDYVTAHUVTXSEP-INIZCTEOSA-N 1 0 361.263 2.781 10 30 FFEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000176846478 509722753 /nfs/dbraw/zinc/72/27/53/509722753.db2.gz PLAMMOSRMJTSGB-MJGOQNOKSA-N 1 0 369.513 2.509 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186613785 509802682 /nfs/dbraw/zinc/80/26/82/509802682.db2.gz AEPRDWDBXXYNJQ-UHFFFAOYSA-N 1 0 357.458 2.826 10 30 FFEERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000183626313 509892215 /nfs/dbraw/zinc/89/22/15/509892215.db2.gz PPOVOUGXOOQBSU-LRDDRELGSA-N 1 0 355.463 2.759 10 30 FFEERO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171089962 509934431 /nfs/dbraw/zinc/93/44/31/509934431.db2.gz JVEYPJCVEXGVKB-KRWDZBQOSA-N 1 0 351.406 2.650 10 30 FFEERO CC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@@H+]1CCOC ZINC000174737421 510280886 /nfs/dbraw/zinc/28/08/86/510280886.db2.gz UQJRLRBJUREETP-HNNXBMFYSA-N 1 0 360.408 2.932 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000246125105 510307823 /nfs/dbraw/zinc/30/78/23/510307823.db2.gz BORUYXUSSRIHAC-FZKQIMNGSA-N 1 0 370.403 2.872 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000171804664 510380906 /nfs/dbraw/zinc/38/09/06/510380906.db2.gz NJLQRDJZGCIBFM-CTNGQTDRSA-N 1 0 369.509 2.753 10 30 FFEERO COCCOc1ccc(C#N)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184620349 510421960 /nfs/dbraw/zinc/42/19/60/510421960.db2.gz CTKNGACXBUVDOQ-UHFFFAOYSA-N 1 0 372.469 2.676 10 30 FFEERO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899800 510438112 /nfs/dbraw/zinc/43/81/12/510438112.db2.gz LWYIXVROPWNUBX-MRXNPFEDSA-N 1 0 351.372 2.547 10 30 FFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1SCC#N ZINC000175035494 510452139 /nfs/dbraw/zinc/45/21/39/510452139.db2.gz KMFQRDLUNBWABU-JKSUJKDBSA-N 1 0 358.511 2.799 10 30 FFEERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181554829 510470112 /nfs/dbraw/zinc/47/01/12/510470112.db2.gz FBIALZQQLWIMCP-HKUYNNGSSA-N 1 0 355.394 2.947 10 30 FFEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000172242423 510618864 /nfs/dbraw/zinc/61/88/64/510618864.db2.gz ROUZCHCPANIJQA-WMLDXEAASA-N 1 0 365.399 2.935 10 30 FFEERO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N[C@H](C)C(C)C ZINC000263266096 510636364 /nfs/dbraw/zinc/63/63/64/510636364.db2.gz VECZMWNUQXINKQ-GFCCVEGCSA-N 1 0 369.307 2.906 10 30 FFEERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000330328782 510964371 /nfs/dbraw/zinc/96/43/71/510964371.db2.gz LYCBNEJCRQYLGV-FYQPLNBISA-N 1 0 374.529 2.981 10 30 FFEERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000281417316 511839618 /nfs/dbraw/zinc/83/96/18/511839618.db2.gz ONSZRUPQEKDHFK-DEORAPPZSA-N 1 0 373.522 2.987 10 30 FFEERO O=C(C[C@@H]1CCCCNC1=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000328854267 511941219 /nfs/dbraw/zinc/94/12/19/511941219.db2.gz JMUCPBKPJDXYNB-MAUKXSAKSA-N 1 0 359.470 2.856 10 30 FFEERO CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CC[NH+](C3CCCC3)CC1)C2 ZINC000329249776 512013722 /nfs/dbraw/zinc/01/37/22/512013722.db2.gz XGQVAFOPNSRVBQ-MRXNPFEDSA-N 1 0 373.545 2.970 10 30 FFEERO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N+]12CCN(CC1)CC2 ZINC000015454153 717111971 /nfs/dbraw/zinc/11/19/71/717111971.db2.gz BMQDYIXBFAWWMK-NSHDSACASA-O 1 0 362.803 2.832 10 30 FFEERO O=C(C[N+]12CCN(CC1)CC2)Nc1ccccc1Sc1ccccc1 ZINC000021958072 717113040 /nfs/dbraw/zinc/11/30/40/717113040.db2.gz ZREWUGLURTWTFS-UHFFFAOYSA-O 1 0 354.499 2.922 10 30 FFEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329112983 729796364 /nfs/dbraw/zinc/79/63/64/729796364.db2.gz KZWPMKNNNUKPBM-IJEWVQPXSA-N 1 0 353.532 2.765 10 30 FFEERO CN1CC[C@@H](C[N@H+](C)CCOc2ccccc2C#N)[C@@H]1c1cccnc1 ZINC000328648978 210125168 /nfs/dbraw/zinc/12/51/68/210125168.db2.gz UVGWXIRVMZFDCZ-FPOVZHCZSA-N 1 0 350.466 2.957 10 30 FFEERO C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](C1CCCCCC1)CC2 ZINC000072169399 210065986 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FFEERO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928832 508290026 /nfs/dbraw/zinc/29/00/26/508290026.db2.gz OXUBGAQAUVGHNQ-PKOBYXMFSA-N 1 0 366.417 2.864 10 30 FFEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000116250806 508491844 /nfs/dbraw/zinc/49/18/44/508491844.db2.gz ZQSGIHVWSIKRPQ-LPHOPBHVSA-N 1 0 364.449 2.624 10 30 FFEERO N#CCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1 ZINC000128417973 508589425 /nfs/dbraw/zinc/58/94/25/508589425.db2.gz UMCBCCPGVGJKTJ-MOPGFXCFSA-N 1 0 351.454 2.903 10 30 FFEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000157979990 508640862 /nfs/dbraw/zinc/64/08/62/508640862.db2.gz XOKAIEMNVILMIT-SFHVURJKSA-N 1 0 369.469 2.566 10 30 FFEERO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118822021 508678274 /nfs/dbraw/zinc/67/82/74/508678274.db2.gz SJPIGVUYFJRLHM-CABCVRRESA-N 1 0 362.499 2.875 10 30 FFEERO Cn1cc(CN2CCC[N@H+](Cc3cccc(OCCCC#N)c3)CC2)cn1 ZINC000121558847 509178496 /nfs/dbraw/zinc/17/84/96/509178496.db2.gz JIPKKHOQGNNYQA-UHFFFAOYSA-N 1 0 367.497 2.811 10 30 FFEERO N#Cc1csc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000175925662 509219229 /nfs/dbraw/zinc/21/92/29/509219229.db2.gz YJPLJVKQCJXCBJ-SFHVURJKSA-N 1 0 369.490 2.795 10 30 FFEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000191910737 509242547 /nfs/dbraw/zinc/24/25/47/509242547.db2.gz VAPPMJSIQWTSDT-BZSNNMDCSA-N 1 0 359.470 2.875 10 30 FFEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(Br)c1 ZINC000182582202 509316440 /nfs/dbraw/zinc/31/64/40/509316440.db2.gz URGPEEULQFNZQE-CYBMUJFWSA-N 1 0 363.259 2.756 10 30 FFEERO N#Cc1ccc(N2CCC[C@@H](N3CCC([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000182660573 509354956 /nfs/dbraw/zinc/35/49/56/509354956.db2.gz MHLJZUMUHAWIIU-HXUWFJFHSA-N 1 0 352.482 2.614 10 30 FFEERO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)OCCO2 ZINC000176710201 509652644 /nfs/dbraw/zinc/65/26/44/509652644.db2.gz GDLXZDVSCFVARG-IUODEOHRSA-N 1 0 369.446 2.847 10 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510663091 /nfs/dbraw/zinc/66/30/91/510663091.db2.gz PIKZUNJCXFZKKC-INIZCTEOSA-N 1 0 360.458 2.531 10 30 FFEERO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000172314635 510663128 /nfs/dbraw/zinc/66/31/28/510663128.db2.gz PIKZUNJCXFZKKC-MRXNPFEDSA-N 1 0 360.458 2.531 10 30 FFEERO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000328656193 511909286 /nfs/dbraw/zinc/90/92/86/511909286.db2.gz ZCHJMSREIOCKNE-SFHVURJKSA-N 1 0 369.494 2.813 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329380745 512036981 /nfs/dbraw/zinc/03/69/81/512036981.db2.gz NRCWSMPLFALERI-APWZRJJASA-N 1 0 370.497 2.639 10 30 FFEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)CCC[N@@H+]1C ZINC000329555535 512068574 /nfs/dbraw/zinc/06/85/74/512068574.db2.gz BMYASLRSIDPJDN-JQHSSLGASA-N 1 0 359.518 2.837 10 30 FFEERO Cc1nc(C[C@@H]2CCCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)no1 ZINC000329815626 512101442 /nfs/dbraw/zinc/10/14/42/512101442.db2.gz VJTXRIAKVSFMPQ-XYTVBORESA-N 1 0 361.490 2.562 10 30 FFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000083518463 728412326 /nfs/dbraw/zinc/41/23/26/728412326.db2.gz KRAYKCXNWNNDAX-YRGRVCCFSA-N 1 0 351.292 2.601 10 30 FFEERO N#CCSCC(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000110120693 728530722 /nfs/dbraw/zinc/53/07/22/728530722.db2.gz XKECSQXWVFZHGM-CYBMUJFWSA-N 1 0 354.422 2.977 10 30 FFEERO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000261935099 729655510 /nfs/dbraw/zinc/65/55/10/729655510.db2.gz CGQOEMZXAZLRKN-VIFPVBQESA-N 1 0 355.273 2.857 10 30 FFEERO [NH2+]=C(NC[C@H](O)c1cccc(Cl)c1)Nc1ccc2c(c1)OCCCO2 ZINC000261968070 729656224 /nfs/dbraw/zinc/65/62/24/729656224.db2.gz CASANLCMVSPMKJ-HNNXBMFYSA-N 1 0 361.829 2.962 10 30 FFEERO C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000262226449 729661752 /nfs/dbraw/zinc/66/17/52/729661752.db2.gz MGKWQXFXLCIWCW-SNVBAGLBSA-N 1 0 357.285 2.840 10 30 FFEERO CN(C)C(=O)CNC(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)=[NH+]C1CCCC1 ZINC000262297565 729663224 /nfs/dbraw/zinc/66/32/24/729663224.db2.gz MQLHVKUUWQSCHD-TZMCWYRMSA-N 1 0 362.440 2.674 10 30 FFEERO C[NH+]=C(NC[C@H](c1ccc(C)s1)N1CCOCC1)NC1CCCCC1 ZINC000262838493 729672476 /nfs/dbraw/zinc/67/24/76/729672476.db2.gz TXVDYZQYSSJPHU-QGZVFWFLSA-N 1 0 364.559 2.928 10 30 FFEERO N#C[C@@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000329643280 729798230 /nfs/dbraw/zinc/79/82/30/729798230.db2.gz IENIMOSPELOBIS-HOTGVXAUSA-N 1 0 350.532 2.934 10 30 FFEERO N#Cc1ccccc1OC1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329290164 967624248 /nfs/dbraw/zinc/62/42/48/967624248.db2.gz IIBCKCSOVJTQHO-HFCFLWKCSA-N 1 0 368.481 2.989 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000106038589 1005221400 /nfs/dbraw/zinc/22/14/00/1005221400.db2.gz KZUUIQFFMAEREU-MRXNPFEDSA-N 1 0 365.518 2.790 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000106040433 1005228906 /nfs/dbraw/zinc/22/89/06/1005228906.db2.gz VMOJXTIRFLKDIW-QGZVFWFLSA-N 1 0 355.482 2.505 10 30 FFEERO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)no1 ZINC000103150236 250136620 /nfs/dbraw/zinc/13/66/20/250136620.db2.gz UALNZBQARDQSOR-MRXNPFEDSA-N 1 0 353.426 2.533 10 30 FFEERO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000106861021 250293855 /nfs/dbraw/zinc/29/38/55/250293855.db2.gz DPJPUSYQTSXEHK-UHFFFAOYSA-N 1 0 351.454 2.802 10 30 FFEERO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814725 507989329 /nfs/dbraw/zinc/98/93/29/507989329.db2.gz KTBMUYVPVJRUPX-LJQANCHMSA-N 1 0 362.433 2.624 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000106039762 508390117 /nfs/dbraw/zinc/39/01/17/508390117.db2.gz RHKBKBURTMQXKR-KRWDZBQOSA-N 1 0 359.495 2.646 10 30 FFEERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cn1 ZINC000116316011 508498586 /nfs/dbraw/zinc/49/85/86/508498586.db2.gz WXORZHLOYCBBRE-CYBMUJFWSA-N 1 0 369.494 2.660 10 30 FFEERO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000158187847 508668870 /nfs/dbraw/zinc/66/88/70/508668870.db2.gz REGCCIJTSCPJDO-GJZGRUSLSA-N 1 0 362.499 2.733 10 30 FFEERO C#CCCCCNC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000155007189 508902935 /nfs/dbraw/zinc/90/29/35/508902935.db2.gz ZQOOOLAGSYZZJH-NRFANRHFSA-N 1 0 371.525 2.877 10 30 FFEERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191979052 509275555 /nfs/dbraw/zinc/27/55/55/509275555.db2.gz MVZYJGKTVOCRQW-UHFFFAOYSA-N 1 0 361.461 2.935 10 30 FFEERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]12 ZINC000248628953 509400112 /nfs/dbraw/zinc/40/01/12/509400112.db2.gz VWOKFLXVJVKQFT-NCXUSEDFSA-N 1 0 371.481 2.827 10 30 FFEERO Cn1cc(C[NH+]2CCC(Nc3cccnn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180092946 509747964 /nfs/dbraw/zinc/74/79/64/509747964.db2.gz AEFITSFXWKJORM-UHFFFAOYSA-N 1 0 373.464 2.825 10 30 FFEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000176906753 509757935 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359.518 2.933 10 30 FFEERO CCN1CCO[C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)[C@@H]1c1ccccc1 ZINC000329090525 511981082 /nfs/dbraw/zinc/98/10/82/511981082.db2.gz WNZGUSBADJMGER-HBFSDRIKSA-N 1 0 368.481 2.864 10 30 FFEERO Cc1cnn(CC2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000329131110 511989538 /nfs/dbraw/zinc/98/95/38/511989538.db2.gz AAHCORNNLLWQHQ-UHFFFAOYSA-N 1 0 357.502 2.588 10 30 FFEERO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1-n1cccn1 ZINC000329429070 512044732 /nfs/dbraw/zinc/04/47/32/512044732.db2.gz JSINFNXOXJRWBB-BXWFABGCSA-N 1 0 353.470 2.873 10 30 FFEERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1cccs1 ZINC000329810238 512100564 /nfs/dbraw/zinc/10/05/64/512100564.db2.gz QOFLAHTVAMQUQS-NFAWXSAZSA-N 1 0 350.488 2.754 10 30 FFEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000329830799 512102715 /nfs/dbraw/zinc/10/27/15/512102715.db2.gz SNNBRYIMDUCIGJ-BMFZPTHFSA-N 1 0 361.490 2.769 10 30 FFEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)N1CCO[C@H](C)C1 ZINC000249710982 717164920 /nfs/dbraw/zinc/16/49/20/717164920.db2.gz VRHIVAGCUYWEQL-FATZIPQQSA-N 1 0 374.461 2.501 10 30 FFEERO [NH2+]=C(NC[C@@H](O)Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104193313 728501174 /nfs/dbraw/zinc/50/11/74/728501174.db2.gz AVERPVPEVKXWLG-AWEZNQCLSA-N 1 0 353.344 2.915 10 30 FFEERO C[NH+]=C(NCc1cn2c(n1)CCCC2)NCc1nc(C(F)(F)F)cs1 ZINC000262557400 729668441 /nfs/dbraw/zinc/66/84/41/729668441.db2.gz VHPWQJNVBKEHLJ-UHFFFAOYSA-N 1 0 372.420 2.560 10 30 FFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654758 967914606 /nfs/dbraw/zinc/91/46/06/967914606.db2.gz MAAXGXBQQOPVQB-WBVHZDCISA-N 1 0 359.470 2.995 10 30 FFEERO N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000332837028 977677523 /nfs/dbraw/zinc/67/75/23/977677523.db2.gz FPUYWGBGLJLZRO-ZVDOUQERSA-N 1 0 352.482 2.986 10 30 FFEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000092757818 250000124 /nfs/dbraw/zinc/00/01/24/250000124.db2.gz HVUJIRJUDDMQNF-DGCLKSJQSA-N 1 0 350.369 2.860 10 30 FFEERO Cn1ccnc1CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000106166104 250246279 /nfs/dbraw/zinc/24/62/79/250246279.db2.gz PJEXUJBELLBWLG-UHFFFAOYSA-N 1 0 357.483 2.637 10 30 FFEERO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(Br)c1 ZINC000181112742 251244241 /nfs/dbraw/zinc/24/42/41/251244241.db2.gz KWWRBJQSJGCDDS-AWEZNQCLSA-N 1 0 360.259 2.824 10 30 FFEERO CC(C)CC(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(O)cc1 ZINC000040358480 220902487 /nfs/dbraw/zinc/90/24/87/220902487.db2.gz PDBHWOLTAQOESO-SFHVURJKSA-N 1 0 360.454 2.655 10 30 FFEERO CC[NH+]1CCN(c2cc(CNc3cc(C(C)=O)ccc3C#N)ccn2)CC1 ZINC000302103428 258088048 /nfs/dbraw/zinc/08/80/48/258088048.db2.gz MEWDNLBUHRNYBD-UHFFFAOYSA-N 1 0 363.465 2.910 10 30 FFEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ccc(Cn2ccnc2)cn1 ZINC000072411680 507785793 /nfs/dbraw/zinc/78/57/93/507785793.db2.gz HOUVQCCNNVKJAP-LJQANCHMSA-N 1 0 356.470 2.762 10 30 FFEERO C=C[C@H](CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000089505510 507843636 /nfs/dbraw/zinc/84/36/36/507843636.db2.gz ZYOVUVUHNMRYAJ-CTNGQTDRSA-N 1 0 355.526 2.975 10 30 FFEERO N#CCCCOc1cccc(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000092811179 508102232 /nfs/dbraw/zinc/10/22/32/508102232.db2.gz GQNKRRQJSZBANL-UHFFFAOYSA-N 1 0 368.481 2.938 10 30 FFEERO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000104326967 508332149 /nfs/dbraw/zinc/33/21/49/508332149.db2.gz BIWJHEXGKBAYSR-MAUKXSAKSA-N 1 0 356.470 2.589 10 30 FFEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC000116531278 508525259 /nfs/dbraw/zinc/52/52/59/508525259.db2.gz DHHYEEPOZKKZAH-HKUYNNGSSA-N 1 0 359.518 2.618 10 30 FFEERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000128514468 508605141 /nfs/dbraw/zinc/60/51/41/508605141.db2.gz UXCOWRRIGMIDDY-PBHICJAKSA-N 1 0 356.422 2.666 10 30 FFEERO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118822014 508678968 /nfs/dbraw/zinc/67/89/68/508678968.db2.gz SJPIGVUYFJRLHM-LSDHHAIUSA-N 1 0 362.499 2.875 10 30 FFEERO C=CCC1(C(=O)N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)CCC1 ZINC000191913394 509243690 /nfs/dbraw/zinc/24/36/90/509243690.db2.gz IJALPMFHGBXHBM-UHFFFAOYSA-N 1 0 350.503 2.997 10 30 FFEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000173196594 509449173 /nfs/dbraw/zinc/44/91/73/509449173.db2.gz IBELVKRUULXTRC-MRXNPFEDSA-N 1 0 353.470 2.883 10 30 FFEERO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179712812 509585684 /nfs/dbraw/zinc/58/56/84/509585684.db2.gz XWMXTXLMXZNTLB-INIZCTEOSA-N 1 0 367.449 2.582 10 30 FFEERO Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173743091 509749649 /nfs/dbraw/zinc/74/96/49/509749649.db2.gz KWOWIBWOYAUWEA-AWEZNQCLSA-N 1 0 364.858 2.570 10 30 FFEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000176988400 509803530 /nfs/dbraw/zinc/80/35/30/509803530.db2.gz ZJUXJJALLGACJD-KRWDZBQOSA-N 1 0 359.470 2.669 10 30 FFEERO C=CC[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000189911690 509824901 /nfs/dbraw/zinc/82/49/01/509824901.db2.gz NYVMKNGRBCDFBD-NHCUHLMSSA-N 1 0 355.526 2.975 10 30 FFEERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000183630289 509895418 /nfs/dbraw/zinc/89/54/18/509895418.db2.gz METUMDOULJWNCI-KXBFYZLASA-N 1 0 355.413 2.784 10 30 FFEERO Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180625669 510022247 /nfs/dbraw/zinc/02/22/47/510022247.db2.gz GAINEGFWSYAOJL-GOSISDBHSA-N 1 0 355.486 2.501 10 30 FFEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000190449655 510137730 /nfs/dbraw/zinc/13/77/30/510137730.db2.gz OQOZAFWOZXDFCB-MRXNPFEDSA-N 1 0 351.410 2.820 10 30 FFEERO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171409195 510141515 /nfs/dbraw/zinc/14/15/15/510141515.db2.gz VGJFOBNEGXVRNQ-INIZCTEOSA-N 1 0 353.426 2.533 10 30 FFEERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245921290 510207448 /nfs/dbraw/zinc/20/74/48/510207448.db2.gz GKXLOPSKJURWGI-YLJYHZDGSA-N 1 0 365.481 2.991 10 30 FFEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000181094850 510273178 /nfs/dbraw/zinc/27/31/78/510273178.db2.gz LLEOFMBCMYWCLF-AWEZNQCLSA-N 1 0 366.303 2.863 10 30 FFEERO CCOCC[N@@H+]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1C ZINC000174736368 510281095 /nfs/dbraw/zinc/28/10/95/510281095.db2.gz FEGAQJOOKCFCJQ-ZDUSSCGKSA-N 1 0 360.408 2.932 10 30 FFEERO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000247028973 510807952 /nfs/dbraw/zinc/80/79/52/510807952.db2.gz NJFJFJLMCDHFFH-ZWKOTPCHSA-N 1 0 365.481 2.853 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000247156606 510847145 /nfs/dbraw/zinc/84/71/45/510847145.db2.gz IRODHWZFZDWGGG-DYESRHJHSA-N 1 0 362.477 2.913 10 30 FFEERO Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)on1 ZINC000328631566 511901878 /nfs/dbraw/zinc/90/18/78/511901878.db2.gz KQKXMDFMNMUAOC-NSHDSACASA-N 1 0 371.363 2.981 10 30 FFEERO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000329526235 512063855 /nfs/dbraw/zinc/06/38/55/512063855.db2.gz HKSJNEPSXBNRCX-INMHGKMJSA-N 1 0 359.470 2.819 10 30 FFEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000036098563 518310441 /nfs/dbraw/zinc/31/04/41/518310441.db2.gz NLICGWJAVHFDPU-HXUWFJFHSA-N 1 0 357.425 2.847 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 ZINC000106034310 728509426 /nfs/dbraw/zinc/50/94/26/728509426.db2.gz GOCGJVAHIHSQMU-INIZCTEOSA-N 1 0 353.507 2.837 10 30 FFEERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000329353648 967657387 /nfs/dbraw/zinc/65/73/87/967657387.db2.gz YBOWAXKXYANFCX-POAQFYNOSA-N 1 0 367.497 2.959 10 30 FFEERO CN(Cc1ccc(F)cc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102388839 1003725659 /nfs/dbraw/zinc/72/56/59/1003725659.db2.gz HOEYXRPNIVAWGV-UHFFFAOYSA-N 1 0 366.396 2.551 10 30 FFEERO CCOc1ccc(C#N)cc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181183638 251253861 /nfs/dbraw/zinc/25/38/61/251253861.db2.gz WMGQXFWOVOYJII-OAHLLOKOSA-N 1 0 374.485 2.513 10 30 FFEERO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628368 506645920 /nfs/dbraw/zinc/64/59/20/506645920.db2.gz ZHQVFZDTQFLIBL-SFHVURJKSA-N 1 0 361.530 2.690 10 30 FFEERO COc1cc(/C=C/C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1OCC#N ZINC000058910598 507480075 /nfs/dbraw/zinc/48/00/75/507480075.db2.gz QTUYDZCBKVOUQZ-FNORWQNLSA-N 1 0 369.465 2.698 10 30 FFEERO CCc1ccc(C)[n+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000029398987 507777351 /nfs/dbraw/zinc/77/73/51/507777351.db2.gz QWTYRFZDLPUQIR-IBGZPJMESA-N 1 0 367.469 2.980 10 30 FFEERO C=CCOc1cccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)c1 ZINC000109069885 507936042 /nfs/dbraw/zinc/93/60/42/507936042.db2.gz FPWMQGDPROPDAJ-QGZVFWFLSA-N 1 0 353.470 2.842 10 30 FFEERO CN(CCC#N)c1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000093272660 508131939 /nfs/dbraw/zinc/13/19/39/508131939.db2.gz XGBISKWEWOKBMW-UHFFFAOYSA-N 1 0 364.497 2.927 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3ccnc3CC)C2)CC1 ZINC000152938713 508532725 /nfs/dbraw/zinc/53/27/25/508532725.db2.gz DHWKZTFBIYPUMW-GOSISDBHSA-N 1 0 359.518 2.833 10 30 FFEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000130896892 508862422 /nfs/dbraw/zinc/86/24/22/508862422.db2.gz HMDLQQMAKJKQJY-QUCCMNQESA-N 1 0 373.472 2.502 10 30 FFEERO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000121205489 509149886 /nfs/dbraw/zinc/14/98/86/509149886.db2.gz FUVKLIJKOKVLOW-SFHVURJKSA-N 1 0 367.497 2.770 10 30 FFEERO C=CC[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248593159 509381026 /nfs/dbraw/zinc/38/10/26/509381026.db2.gz RWIDAPCGCDDKMA-CKEIUWERSA-N 1 0 369.868 2.708 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186014487 509480906 /nfs/dbraw/zinc/48/09/06/509480906.db2.gz QIVBRUFQQOGLMO-UZLBHIALSA-N 1 0 373.464 2.856 10 30 FFEERO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000249722960 509742758 /nfs/dbraw/zinc/74/27/58/509742758.db2.gz NVPGLDDEGFBSDJ-CEXWTWQISA-N 1 0 361.482 2.807 10 30 FFEERO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1OC ZINC000180236703 509827374 /nfs/dbraw/zinc/82/73/74/509827374.db2.gz OZNOTEKATCVWKZ-MJGOQNOKSA-N 1 0 360.498 2.803 10 30 FFEERO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000171081340 509929292 /nfs/dbraw/zinc/92/92/92/509929292.db2.gz DEMXPMKCSUUPKY-SFHVURJKSA-N 1 0 356.470 2.669 10 30 FFEERO C[N@H+]1C[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]2C1 ZINC000193629872 509998031 /nfs/dbraw/zinc/99/80/31/509998031.db2.gz QTHGRTWOHLRNLN-GASCZTMLSA-N 1 0 372.538 2.711 10 30 FFEERO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180675848 510049710 /nfs/dbraw/zinc/04/97/10/510049710.db2.gz QHEMARUGKUQAPV-MRXNPFEDSA-N 1 0 351.454 2.866 10 30 FFEERO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177777013 510247241 /nfs/dbraw/zinc/24/72/41/510247241.db2.gz NTLIVCLBNRUABD-ZWKOTPCHSA-N 1 0 370.497 2.500 10 30 FFEERO CCOCC[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000246500446 510522944 /nfs/dbraw/zinc/52/29/44/510522944.db2.gz SMAIJMGLWNLPCP-MRXNPFEDSA-N 1 0 370.415 2.979 10 30 FFEERO Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178586434 510674461 /nfs/dbraw/zinc/67/44/61/510674461.db2.gz YTAXNNXGRPLOQS-UHFFFAOYSA-N 1 0 366.469 2.567 10 30 FFEERO N#CCN(C[C@@H](O)COc1cccc(Br)c1)C1CCCC1 ZINC000172570605 510797698 /nfs/dbraw/zinc/79/76/98/510797698.db2.gz HEKSXASJMQDHCV-OAHLLOKOSA-N 1 0 353.260 2.957 10 30 FFEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330259537 510949459 /nfs/dbraw/zinc/94/94/59/510949459.db2.gz NMHNJXAHQAMDJI-BOFPYLFWSA-N 1 0 357.454 2.947 10 30 FFEERO C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000328905290 511949044 /nfs/dbraw/zinc/94/90/44/511949044.db2.gz AQUWDNSKRUJWNW-HIFRSBDPSA-N 1 0 351.520 2.556 10 30 FFEERO CC1CC[NH+](C2CCC([NH+]=C([O-])N3CCC[C@H]3Cn3ccnn3)CC2)CC1 ZINC000329056091 511973842 /nfs/dbraw/zinc/97/38/42/511973842.db2.gz MFRMBCCYFKNLTD-ACBHZAAOSA-N 1 0 374.533 2.700 10 30 FFEERO C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cccc(-n2ccnc2)c1 ZINC000329268955 512017323 /nfs/dbraw/zinc/01/73/23/512017323.db2.gz GUUFLUZOYLDIGN-TXPKVOOTSA-N 1 0 353.470 2.873 10 30 FFEERO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329439166 512047104 /nfs/dbraw/zinc/04/71/04/512047104.db2.gz JWRFCSDPJIVZAA-USXIJHARSA-N 1 0 356.532 2.953 10 30 FFEERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329703840 512088163 /nfs/dbraw/zinc/08/81/63/512088163.db2.gz JCKRWAYUFLAFOC-JYYAWHABSA-N 1 0 350.507 2.993 10 30 FFEERO Cc1nc(C)n(C[C@H]2CCCN(C([O-])=[NH+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC000329800592 512098579 /nfs/dbraw/zinc/09/85/79/512098579.db2.gz IREWHNCPYFYHEC-QBUWPKIASA-N 1 0 374.533 2.536 10 30 FFEERO 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C=CCc1cc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc(OC)c1O ZINC000092811181 508102464 /nfs/dbraw/zinc/10/24/64/508102464.db2.gz PGPAXDAQMAALCB-UHFFFAOYSA-N 1 0 371.481 2.698 10 30 FFEERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000104326942 508332275 /nfs/dbraw/zinc/33/22/75/508332275.db2.gz DCIZVKBXCOOSPG-QAPCUYQASA-N 1 0 356.470 2.589 10 30 FFEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000116528619 508525435 /nfs/dbraw/zinc/52/54/35/508525435.db2.gz KLHBTJXDPYIYPJ-UZLBHIALSA-N 1 0 363.465 2.663 10 30 FFEERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000116784988 508561350 /nfs/dbraw/zinc/56/13/50/508561350.db2.gz YTENQHPTFDHMEU-FQEVSTJZSA-N 1 0 365.433 2.753 10 30 FFEERO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000157941116 508635918 /nfs/dbraw/zinc/63/59/18/508635918.db2.gz CRAJQHVQRXDRDF-UHFFFAOYSA-N 1 0 350.344 2.865 10 30 FFEERO CN(CC#Cc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000159941269 508915141 /nfs/dbraw/zinc/91/51/41/508915141.db2.gz ZVHBMJOUQXRJPU-UHFFFAOYSA-N 1 0 356.901 2.984 10 30 FFEERO C=C(C)[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000185839669 509380813 /nfs/dbraw/zinc/38/08/13/509380813.db2.gz ZYQGUZLOXDHUNH-YJBOKZPZSA-N 1 0 367.440 2.728 10 30 FFEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1 ZINC000249036365 509577432 /nfs/dbraw/zinc/57/74/32/509577432.db2.gz STGXEUQJPWPFIE-GDBMZVCRSA-N 1 0 355.442 2.806 10 30 FFEERO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000177034694 509831693 /nfs/dbraw/zinc/83/16/93/509831693.db2.gz FJIFHPILWWPMHW-XLIONFOSSA-N 1 0 364.449 2.910 10 30 FFEERO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170987726 509878099 /nfs/dbraw/zinc/87/80/99/509878099.db2.gz GRQZCOLSVGPIIK-JKSUJKDBSA-N 1 0 358.511 2.657 10 30 FFEERO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000183667974 509916919 /nfs/dbraw/zinc/91/69/19/509916919.db2.gz VCXQKNGEXVSQPS-AEFFLSMTSA-N 1 0 367.449 2.654 10 30 FFEERO C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2CC)c(OC)c1 ZINC000245416863 509917224 /nfs/dbraw/zinc/91/72/24/509917224.db2.gz FNIORRUMUQTNLJ-XUVXKRRUSA-N 1 0 374.525 2.722 10 30 FFEERO CCc1cccc(NC(=[NH2+])NCC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000261810330 510073862 /nfs/dbraw/zinc/07/38/62/510073862.db2.gz MOEGZLJWZYRATP-KRWDZBQOSA-N 1 0 352.438 2.616 10 30 FFEERO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1OC ZINC000245757824 510132762 /nfs/dbraw/zinc/13/27/62/510132762.db2.gz OZNOTEKATCVWKZ-IEBWSBKVSA-N 1 0 360.498 2.803 10 30 FFEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000190551907 510201683 /nfs/dbraw/zinc/20/16/83/510201683.db2.gz OMSFDDAACCVMHB-INIZCTEOSA-N 1 0 354.479 2.917 10 30 FFEERO N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000245966881 510231901 /nfs/dbraw/zinc/23/19/01/510231901.db2.gz DURWRXIRYYWWKJ-OAQYLSRUSA-N 1 0 353.441 2.939 10 30 FFEERO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000172183281 510587462 /nfs/dbraw/zinc/58/74/62/510587462.db2.gz CYBFTIPGQCGTMM-RDTXWAMCSA-N 1 0 363.417 2.786 10 30 FFEERO C=CCOc1cccc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000175356047 510606633 /nfs/dbraw/zinc/60/66/33/510606633.db2.gz JFDWIYILNJUKBM-INIZCTEOSA-N 1 0 361.486 2.808 10 30 FFEERO C=C[C@@](C)(CCOC)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000188232375 510660815 /nfs/dbraw/zinc/66/08/15/510660815.db2.gz MAXXMYFKEIZNSS-UNMCSNQZSA-N 1 0 374.525 2.777 10 30 FFEERO CN1CCO[C@@H]2CN(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)C[C@H]21 ZINC000330104111 510916712 /nfs/dbraw/zinc/91/67/12/510916712.db2.gz GTKBQIVEKHIWTF-ZHALLVOQSA-N 1 0 371.481 2.752 10 30 FFEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1Cn1ccnc1C)CCC2 ZINC000328651257 511907540 /nfs/dbraw/zinc/90/75/40/511907540.db2.gz BKOCJUBBOIPWBP-DLBZAZTESA-N 1 0 356.474 2.652 10 30 FFEERO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329233550 512010686 /nfs/dbraw/zinc/01/06/86/512010686.db2.gz MAXZDWYOJQPLSX-INIZCTEOSA-N 1 0 361.534 2.872 10 30 FFEERO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H](CCO)C1 ZINC000329768217 512095229 /nfs/dbraw/zinc/09/52/29/512095229.db2.gz GHKWFSMYQZLLRS-MRXNPFEDSA-N 1 0 351.516 2.578 10 30 FFEERO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC ZINC000006483622 518859727 /nfs/dbraw/zinc/85/97/27/518859727.db2.gz OABRYNHZQBZDMG-INIZCTEOSA-N 1 0 364.461 2.986 10 30 FFEERO [NH2+]=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc2c(c1)OCCCO2 ZINC000261968072 729656216 /nfs/dbraw/zinc/65/62/16/729656216.db2.gz CASANLCMVSPMKJ-OAHLLOKOSA-N 1 0 361.829 2.962 10 30 FFEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)C1 ZINC000262437221 729666029 /nfs/dbraw/zinc/66/60/29/729666029.db2.gz GPTNQPZHYGXGQR-OAGGEKHMSA-N 1 0 350.532 2.557 10 30 FFEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1Cl ZINC000263049572 729677388 /nfs/dbraw/zinc/67/73/88/729677388.db2.gz DISOFBICNPMEIP-MEDUHNTESA-N 1 0 363.849 2.587 10 30 FFEERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 ZINC000328783514 729795174 /nfs/dbraw/zinc/79/51/74/729795174.db2.gz JYUXYJPTBUYJRW-WFASDCNBSA-N 1 0 351.397 2.759 10 30 FFEERO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330180136 970777035 /nfs/dbraw/zinc/77/70/35/970777035.db2.gz NDNKODMSHHPKDB-QKNQBKEWSA-N 1 0 357.498 2.802 10 30 FFEERO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CC[C@@H]([NH+]3CCCCC3)C1)C2 ZINC000329257529 967587862 /nfs/dbraw/zinc/58/78/62/967587862.db2.gz DYMOHAIPTXMVFJ-DLBZAZTESA-N 1 0 373.545 2.970 10 30 FFEERO Cn1ccnc1CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000106166617 250246704 /nfs/dbraw/zinc/24/67/04/250246704.db2.gz AWHOSUIYKRLPJZ-UHFFFAOYSA-N 1 0 351.454 2.575 10 30 FFEERO CN1C(=O)C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000373465942 512345642 /nfs/dbraw/zinc/34/56/42/512345642.db2.gz BNWWAOUJEQQDEZ-UWJYYQICSA-N 1 0 359.433 2.515 10 30 FFEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000075671806 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