smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCSCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159789189 495810246 /nfs/dbraw/zinc/81/02/46/495810246.db2.gz NTGKBUIEOCNYKX-INIZCTEOSA-N 1 0 350.528 3.480 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000160558520 495991744 /nfs/dbraw/zinc/99/17/44/495991744.db2.gz OLJICYLMHXPAIX-IPELMVKDSA-N 1 0 357.498 3.131 10 70 FGIERO CN(CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)Cc1ccc(F)cc1 ZINC000160890783 496062397 /nfs/dbraw/zinc/06/23/97/496062397.db2.gz FLMJLPFAPOWDOD-KRWDZBQOSA-N 1 0 357.477 3.064 10 70 FGIERO CCC[C@@H](C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000161420032 496173054 /nfs/dbraw/zinc/17/30/54/496173054.db2.gz FXLBZZIDKGRUKG-SFHVURJKSA-N 1 0 351.922 3.105 10 70 FGIERO CN(CC[NH2+][C@@H](CN1CCCC1=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000161443346 496176982 /nfs/dbraw/zinc/17/69/82/496176982.db2.gz TZGVFGCQKRECLQ-NRFANRHFSA-N 1 0 369.484 3.211 10 70 FGIERO c1nc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)sc1-c1ccccc1 ZINC000159884903 495832956 /nfs/dbraw/zinc/83/29/56/495832956.db2.gz WXNAQSSUGSZAGX-MRXNPFEDSA-N 1 0 351.479 3.359 10 70 FGIERO CC(C)[C@@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000160111393 495886618 /nfs/dbraw/zinc/88/66/18/495886618.db2.gz IFISKRBZKPQXHK-SBHAEUEKSA-N 1 0 365.562 3.080 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000160482736 495974179 /nfs/dbraw/zinc/97/41/79/495974179.db2.gz NDXOTJPQLOZIKN-GVDBMIGSSA-N 1 0 371.308 3.060 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Oc1ccccc1 ZINC000160523248 495982937 /nfs/dbraw/zinc/98/29/37/495982937.db2.gz VJIVFBJIEXEXMU-QGZVFWFLSA-N 1 0 354.450 3.056 10 70 FGIERO CCc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000161282446 496144469 /nfs/dbraw/zinc/14/44/69/496144469.db2.gz PIOVGVYSZCGEGK-KBXCAEBGSA-N 1 0 358.461 3.032 10 70 FGIERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(Br)n1 ZINC000160548299 495989325 /nfs/dbraw/zinc/98/93/25/495989325.db2.gz WHTYDMBIWSUZKT-OAHLLOKOSA-N 1 0 362.271 3.185 10 70 FGIERO CC[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000161224830 496131385 /nfs/dbraw/zinc/13/13/85/496131385.db2.gz RDGVDSAUKGMOAH-ZFWWWQNUSA-N 1 0 353.304 3.134 10 70 FGIERO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000159870971 495829217 /nfs/dbraw/zinc/82/92/17/495829217.db2.gz QDHOVRUGMDFLJU-INIZCTEOSA-N 1 0 369.513 3.428 10 70 FGIERO CCSc1ccc(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159903516 495836203 /nfs/dbraw/zinc/83/62/03/495836203.db2.gz JSHBTTVPVJDVCP-CQSZACIVSA-N 1 0 356.919 3.029 10 70 FGIERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000160342289 495939879 /nfs/dbraw/zinc/93/98/79/495939879.db2.gz KCKILTUKNVMUFC-CQSZACIVSA-N 1 0 365.355 3.456 10 70 FGIERO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc2ccccc12 ZINC000160356257 495943741 /nfs/dbraw/zinc/94/37/41/495943741.db2.gz HHOPEJUASWLJOC-SFTDATJTSA-N 1 0 367.493 3.041 10 70 FGIERO CCC[C@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000159362983 495716899 /nfs/dbraw/zinc/71/68/99/495716899.db2.gz HZFWZUUBKZFXJA-VXKWHMMOSA-N 1 0 366.505 3.106 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000160404031 495956243 /nfs/dbraw/zinc/95/62/43/495956243.db2.gz FSCKORCCSPRPQG-OAQYLSRUSA-N 1 0 366.505 3.048 10 70 FGIERO CCn1cc(C2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)cn1 ZINC000160635835 496009422 /nfs/dbraw/zinc/00/94/22/496009422.db2.gz VTWWHWPPYGTJJY-UHFFFAOYSA-N 1 0 372.538 3.119 10 70 FGIERO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161123057 496109021 /nfs/dbraw/zinc/10/90/21/496109021.db2.gz ILHAPRPXUCVRGP-IRLDBZIGSA-N 1 0 373.541 3.365 10 70 FGIERO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000160294615 495927596 /nfs/dbraw/zinc/92/75/96/495927596.db2.gz SMHOMMBTZZBEMQ-ZWKOTPCHSA-N 1 0 352.906 3.043 10 70 FGIERO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160524122 495982962 /nfs/dbraw/zinc/98/29/62/495982962.db2.gz FCMPOMDXEYKVSC-DENIHFKCSA-N 1 0 368.477 3.337 10 70 FGIERO c1oc(CN2CCN(CCC[NH+]3CCCCC3)CC2)nc1-c1ccccc1 ZINC000160965306 496075617 /nfs/dbraw/zinc/07/56/17/496075617.db2.gz AISWFVWNQUUYPM-UHFFFAOYSA-N 1 0 368.525 3.335 10 70 FGIERO CCc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000161282552 496143832 /nfs/dbraw/zinc/14/38/32/496143832.db2.gz PIOVGVYSZCGEGK-KSSFIOAISA-N 1 0 358.461 3.032 10 70 FGIERO COc1ccc(CCCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(OC)c1 ZINC000161379900 496163311 /nfs/dbraw/zinc/16/33/11/496163311.db2.gz OPEWNYJQWIGUAL-GOSISDBHSA-N 1 0 362.514 3.263 10 70 FGIERO CC[N@H+](CCc1nccs1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000159386447 495721911 /nfs/dbraw/zinc/72/19/11/495721911.db2.gz QCYPPHNMBHAOJP-INIZCTEOSA-N 1 0 354.903 3.239 10 70 FGIERO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000159909821 495838306 /nfs/dbraw/zinc/83/83/06/495838306.db2.gz NAJJRKXLGQFCOY-HUUCEWRRSA-N 1 0 372.431 3.162 10 70 FGIERO CCOCC[N@@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159925387 495842495 /nfs/dbraw/zinc/84/24/95/495842495.db2.gz OIUQFOBXMHUVJG-HNNXBMFYSA-N 1 0 360.420 3.170 10 70 FGIERO COc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000160434985 495962563 /nfs/dbraw/zinc/96/25/63/495962563.db2.gz BSKLZZZGGKLNBP-MRXNPFEDSA-N 1 0 364.461 3.034 10 70 FGIERO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)n1C1CCCCC1 ZINC000160450473 495966084 /nfs/dbraw/zinc/96/60/84/495966084.db2.gz GOUHFVUORXZVIH-IBGZPJMESA-N 1 0 361.530 3.187 10 70 FGIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCCCn1nnc(-c3ccccc3)n1)CC2 ZINC000160506065 495978927 /nfs/dbraw/zinc/97/89/27/495978927.db2.gz DERHLFLFUYJCEY-TZIWHRDSSA-N 1 0 369.513 3.137 10 70 FGIERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 ZINC000160845447 496053204 /nfs/dbraw/zinc/05/32/04/496053204.db2.gz GCENVPFRXSHIMS-QGZVFWFLSA-N 1 0 355.486 3.403 10 70 FGIERO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159680118 495785464 /nfs/dbraw/zinc/78/54/64/495785464.db2.gz VVMAKDAQJXWJLO-LQWHRVPQSA-N 1 0 372.557 3.198 10 70 FGIERO C[NH+](C)C[C@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 ZINC000160332677 495937614 /nfs/dbraw/zinc/93/76/14/495937614.db2.gz OIECNKYSHNLCBJ-PMACEKPBSA-N 1 0 369.465 3.279 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(Sc2ccccc2)CCCC1 ZINC000160045556 495870653 /nfs/dbraw/zinc/87/06/53/495870653.db2.gz NEVQSKSCMUBUSR-QGZVFWFLSA-N 1 0 362.539 3.055 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000160523509 495983067 /nfs/dbraw/zinc/98/30/67/495983067.db2.gz YONVJPWSGHCIFV-GOSISDBHSA-N 1 0 364.917 3.115 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000160978377 496078641 /nfs/dbraw/zinc/07/86/41/496078641.db2.gz RDTPFKZKQHIVSM-GOSISDBHSA-N 1 0 374.529 3.457 10 70 FGIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000161055937 496094503 /nfs/dbraw/zinc/09/45/03/496094503.db2.gz FNIOLPNAISKLIR-FYYLOGMGSA-N 1 0 370.537 3.095 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CSc3nccn3C)c2)C1 ZINC000161315336 496150498 /nfs/dbraw/zinc/15/04/98/496150498.db2.gz JJIOHTMGFLPDCC-QAPCUYQASA-N 1 0 372.538 3.171 10 70 FGIERO O=C(NCc1cccc(-c2ccccn2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160173708 495900867 /nfs/dbraw/zinc/90/08/67/495900867.db2.gz VWDZSHUDXJCLPR-LJQANCHMSA-N 1 0 350.466 3.128 10 70 FGIERO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC[C@H]1C[NH3+] ZINC000160273081 495925217 /nfs/dbraw/zinc/92/52/17/495925217.db2.gz HWHDUCOEJGZWTL-INIZCTEOSA-N 1 0 363.465 3.243 10 70 FGIERO CC(C)=CCSc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160345189 495941507 /nfs/dbraw/zinc/94/15/07/495941507.db2.gz HXLCUOROIQRKQC-KRWDZBQOSA-N 1 0 362.539 3.322 10 70 FGIERO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)o1 ZINC000159448854 495734849 /nfs/dbraw/zinc/73/48/49/495734849.db2.gz DBMZBUWKCGMZQA-MRXNPFEDSA-N 1 0 356.466 3.283 10 70 FGIERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000159791014 495810007 /nfs/dbraw/zinc/81/00/07/495810007.db2.gz YBIJSGSOLAQYEC-KCLUMXDGSA-N 1 0 371.525 3.250 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000160042345 495869807 /nfs/dbraw/zinc/86/98/07/495869807.db2.gz JZODFNMGNKMKAW-ZNMIVQPWSA-N 1 0 371.308 3.060 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)COc2ccc(Cl)c3cccnc23)C1 ZINC000161302599 496147959 /nfs/dbraw/zinc/14/79/59/496147959.db2.gz MSMVBWSHULNFLV-CJNGLKHVSA-N 1 0 361.873 3.112 10 70 FGIERO COc1cc(-c2ccccc2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160124066 495890159 /nfs/dbraw/zinc/89/01/59/495890159.db2.gz UCJFJUCRAVDQCK-MRXNPFEDSA-N 1 0 374.506 3.000 10 70 FGIERO COc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)sc1Br ZINC000160248213 495918004 /nfs/dbraw/zinc/91/80/04/495918004.db2.gz VNVZNYODTHCNSR-SNVBAGLBSA-N 1 0 363.321 3.225 10 70 FGIERO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc2ccccc12 ZINC000160356143 495943218 /nfs/dbraw/zinc/94/32/18/495943218.db2.gz HHOPEJUASWLJOC-RTWAWAEBSA-N 1 0 367.493 3.041 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000160533076 495985364 /nfs/dbraw/zinc/98/53/64/495985364.db2.gz OJCCITVUVWBXKQ-UYAOXDASSA-N 1 0 360.498 3.095 10 70 FGIERO CC[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160589064 495998850 /nfs/dbraw/zinc/99/88/50/495998850.db2.gz MGDGPRMMOMFCIA-SJORKVTESA-N 1 0 372.431 3.162 10 70 FGIERO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000160624709 496006408 /nfs/dbraw/zinc/00/64/08/496006408.db2.gz DSEKDOLDBCYAAG-SFHVURJKSA-N 1 0 357.498 3.163 10 70 FGIERO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161095283 496102698 /nfs/dbraw/zinc/10/26/98/496102698.db2.gz FYZOUUJKKSKUMY-SJORKVTESA-N 1 0 370.415 3.262 10 70 FGIERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159964582 495851913 /nfs/dbraw/zinc/85/19/13/495851913.db2.gz JFIKKZBTZROQCZ-CYBMUJFWSA-N 1 0 351.292 3.242 10 70 FGIERO O=C(CCCc1csc2ccccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159981825 495855646 /nfs/dbraw/zinc/85/56/46/495855646.db2.gz WBIZQUSPUAUROQ-KRWDZBQOSA-N 1 0 360.523 3.187 10 70 FGIERO O=C(CCCc1ccc(Cl)c(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160087283 495881846 /nfs/dbraw/zinc/88/18/46/495881846.db2.gz YIBGBXMNRIRAFW-HNNXBMFYSA-N 1 0 373.324 3.279 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000160148955 495896310 /nfs/dbraw/zinc/89/63/10/495896310.db2.gz JMIIBRSMRGGDMA-INIZCTEOSA-N 1 0 362.470 3.131 10 70 FGIERO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160307515 495931921 /nfs/dbraw/zinc/93/19/21/495931921.db2.gz VDTBLUJRKWOFJS-QGZVFWFLSA-N 1 0 366.914 3.101 10 70 FGIERO CCn1cc(C2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)cn1 ZINC000160636625 496009781 /nfs/dbraw/zinc/00/97/81/496009781.db2.gz ZGGIEVSTUYMHMQ-UHFFFAOYSA-N 1 0 352.482 3.062 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000160021844 495864681 /nfs/dbraw/zinc/86/46/81/495864681.db2.gz CISFUVVOIRGWKW-LBPRGKRZSA-N 1 0 370.280 3.051 10 70 FGIERO C[C@@H](NCC[N@H+](C)Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1 ZINC000160120062 495888752 /nfs/dbraw/zinc/88/87/52/495888752.db2.gz AQMUUZFNJCACFI-MRXNPFEDSA-N 1 0 353.445 3.189 10 70 FGIERO CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCCc2ccccc21 ZINC000160783798 496041222 /nfs/dbraw/zinc/04/12/22/496041222.db2.gz JTGBANLPNFJCCY-KAGYGMCKSA-N 1 0 356.510 3.149 10 70 FGIERO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000159656646 495779923 /nfs/dbraw/zinc/77/99/23/495779923.db2.gz DCODZRRCHMOQEB-RYUDHWBXSA-N 1 0 357.317 3.046 10 70 FGIERO CN(CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)Cc1ccc(F)cc1 ZINC000159759030 495802578 /nfs/dbraw/zinc/80/25/78/495802578.db2.gz PCWCEVQYJKQEIQ-SFHVURJKSA-N 1 0 367.472 3.180 10 70 FGIERO FC(F)(F)Oc1cccc(CC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000159881750 495832011 /nfs/dbraw/zinc/83/20/11/495832011.db2.gz ADFRTSWDAOZKIM-UHFFFAOYSA-N 1 0 366.387 3.130 10 70 FGIERO CC(C)c1ccc(CC2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)cc1 ZINC000159950890 495847659 /nfs/dbraw/zinc/84/76/59/495847659.db2.gz RFMFJWZKNVAHFR-NRFANRHFSA-N 1 0 358.526 3.048 10 70 FGIERO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160392275 495952021 /nfs/dbraw/zinc/95/20/21/495952021.db2.gz IXJJLKZUKOHQRZ-WMLDXEAASA-N 1 0 372.431 3.162 10 70 FGIERO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000160449380 495965835 /nfs/dbraw/zinc/96/58/35/495965835.db2.gz UMMZIESPDGZBFF-RDTXWAMCSA-N 1 0 350.890 3.085 10 70 FGIERO C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161014048 496085333 /nfs/dbraw/zinc/08/53/33/496085333.db2.gz ZFDHAOGBIQJASA-AKCHCHLHSA-N 1 0 359.445 3.488 10 70 FGIERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC000161392017 496167271 /nfs/dbraw/zinc/16/72/71/496167271.db2.gz RSVDCSWBKQSNFY-AAEUAGOBSA-N 1 0 350.875 3.238 10 70 FGIERO CCc1nccn1[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159464206 495737437 /nfs/dbraw/zinc/73/74/37/495737437.db2.gz WMDIOOWKNUTTEO-SFHVURJKSA-N 1 0 360.546 3.367 10 70 FGIERO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000160448984 495965579 /nfs/dbraw/zinc/96/55/79/495965579.db2.gz UMMZIESPDGZBFF-KSSFIOAISA-N 1 0 350.890 3.085 10 70 FGIERO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160524268 495983251 /nfs/dbraw/zinc/98/32/51/495983251.db2.gz FCMPOMDXEYKVSC-KNQAVFIVSA-N 1 0 368.477 3.337 10 70 FGIERO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(Br)n1 ZINC000160548172 495989103 /nfs/dbraw/zinc/98/91/03/495989103.db2.gz WHTYDMBIWSUZKT-HNNXBMFYSA-N 1 0 362.271 3.185 10 70 FGIERO O[C@]12CCCC[C@@H]1C[N@H+](CCOc1cccc(Br)c1)CC2 ZINC000160615499 496003783 /nfs/dbraw/zinc/00/37/83/496003783.db2.gz ZIEFPCSONCKVRN-PBHICJAKSA-N 1 0 354.288 3.455 10 70 FGIERO Cc1ccc(-c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c(F)c2)cc1 ZINC000160688026 496020755 /nfs/dbraw/zinc/02/07/55/496020755.db2.gz LPGVDVGMSHKCEG-IBGZPJMESA-N 1 0 370.468 3.378 10 70 FGIERO CN(CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000159654266 495779478 /nfs/dbraw/zinc/77/94/78/495779478.db2.gz YNUSCEQPCYPILW-SFHVURJKSA-N 1 0 363.521 3.132 10 70 FGIERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1-n1cccn1 ZINC000159695427 495789412 /nfs/dbraw/zinc/78/94/12/495789412.db2.gz GPZQFMNZJWJEDO-UWJYYQICSA-N 1 0 362.477 3.222 10 70 FGIERO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000159989032 495858723 /nfs/dbraw/zinc/85/87/23/495858723.db2.gz PFDAJXQUJPQUFV-RHSMWYFYSA-N 1 0 372.431 3.162 10 70 FGIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160171787 495901057 /nfs/dbraw/zinc/90/10/57/495901057.db2.gz RYCZXKXIGVJOOM-VQIMIIECSA-N 1 0 350.466 3.127 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000160241549 495916344 /nfs/dbraw/zinc/91/63/44/495916344.db2.gz UWKKMQNPMJPYDQ-BPUTZDHNSA-N 1 0 371.308 3.060 10 70 FGIERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000160342421 495940363 /nfs/dbraw/zinc/94/03/63/495940363.db2.gz KCKILTUKNVMUFC-AWEZNQCLSA-N 1 0 365.355 3.456 10 70 FGIERO CSCc1nc2ccccc2n1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160385002 495950955 /nfs/dbraw/zinc/95/09/55/495950955.db2.gz IPTKQFGOCJBVSL-MRXNPFEDSA-N 1 0 374.554 3.136 10 70 FGIERO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCC[NH+](C)C ZINC000160798808 496044358 /nfs/dbraw/zinc/04/43/58/496044358.db2.gz MBCLZOLYTXRIGF-NSHDSACASA-N 1 0 370.284 3.482 10 70 FGIERO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1OC ZINC000159433299 495732751 /nfs/dbraw/zinc/73/27/51/495732751.db2.gz PMTTWRPIODSZAE-HOTGVXAUSA-N 1 0 356.466 3.368 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Nc1ccccc1 ZINC000160148545 495896803 /nfs/dbraw/zinc/89/68/03/495896803.db2.gz SJRGOHSEOITFEY-GOSISDBHSA-N 1 0 353.466 3.007 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000160530270 495984474 /nfs/dbraw/zinc/98/44/74/495984474.db2.gz KJKCOSHHXKMCML-LZQZEXGQSA-N 1 0 357.498 3.131 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)COc2ccc(Cl)c3cccnc23)[C@@H](C)C1 ZINC000161302709 496147402 /nfs/dbraw/zinc/14/74/02/496147402.db2.gz MSMVBWSHULNFLV-BBRMVZONSA-N 1 0 361.873 3.112 10 70 FGIERO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000159493707 495743606 /nfs/dbraw/zinc/74/36/06/495743606.db2.gz JXTKYRRNOQMQDT-IBGZPJMESA-N 1 0 373.545 3.343 10 70 FGIERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1-n1cccn1 ZINC000159695578 495789104 /nfs/dbraw/zinc/78/91/04/495789104.db2.gz GPZQFMNZJWJEDO-UTKZUKDTSA-N 1 0 362.477 3.222 10 70 FGIERO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000159909568 495838958 /nfs/dbraw/zinc/83/89/58/495838958.db2.gz NAJJRKXLGQFCOY-CABCVRRESA-N 1 0 372.431 3.162 10 70 FGIERO CCN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000160993286 496081006 /nfs/dbraw/zinc/08/10/06/496081006.db2.gz KRLYNOKENQGPGN-HGHGUNKESA-N 1 0 362.489 3.362 10 70 FGIERO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161359184 496159567 /nfs/dbraw/zinc/15/95/67/496159567.db2.gz NAUGTCKAJYNPHG-SFTDATJTSA-N 1 0 365.477 3.116 10 70 FGIERO CCn1cc(CN2CCCN(C(=O)NCC(CC)(CC)CC)CC2)cn1 ZINC000159696310 495789500 /nfs/dbraw/zinc/78/95/00/495789500.db2.gz VRNNZTONSCIEAW-UHFFFAOYSA-N 1 0 363.550 3.337 10 70 FGIERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000159830094 495818961 /nfs/dbraw/zinc/81/89/61/495818961.db2.gz KGHBMDSLNORJQH-ULQDDVLXSA-N 1 0 363.465 3.184 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000160539535 495986884 /nfs/dbraw/zinc/98/68/84/495986884.db2.gz VSSHANUWXXTPLJ-UYAOXDASSA-N 1 0 360.498 3.095 10 70 FGIERO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160931492 496069987 /nfs/dbraw/zinc/06/99/87/496069987.db2.gz YFNSGXFWHCUSOB-AUUYWEPGSA-N 1 0 368.880 3.065 10 70 FGIERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2cccc(Br)c2)C1 ZINC000160989011 496079716 /nfs/dbraw/zinc/07/97/16/496079716.db2.gz QNOVFVXMFQHVOV-CYBMUJFWSA-N 1 0 357.317 3.142 10 70 FGIERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2cccc(Br)c2)C1 ZINC000160988882 496080462 /nfs/dbraw/zinc/08/04/62/496080462.db2.gz QNOVFVXMFQHVOV-ZDUSSCGKSA-N 1 0 357.317 3.142 10 70 FGIERO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000161413375 496171385 /nfs/dbraw/zinc/17/13/85/496171385.db2.gz PAZFNUQFZLRLGU-HNNXBMFYSA-N 1 0 360.498 3.393 10 70 FGIERO COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1OC ZINC000159433562 495732366 /nfs/dbraw/zinc/73/23/66/495732366.db2.gz PMTTWRPIODSZAE-JKSUJKDBSA-N 1 0 356.466 3.368 10 70 FGIERO Cc1ccc(-c2nc(CC(=O)NC[C@H]3CCC[N@H+]3CC(C)C)cs2)o1 ZINC000160497371 495976738 /nfs/dbraw/zinc/97/67/38/495976738.db2.gz HPCFEGVZUNHLEZ-MRXNPFEDSA-N 1 0 361.511 3.491 10 70 FGIERO Cc1ccc(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c(F)c2)cc1 ZINC000160688168 496021194 /nfs/dbraw/zinc/02/11/94/496021194.db2.gz LPGVDVGMSHKCEG-LJQANCHMSA-N 1 0 370.468 3.378 10 70 FGIERO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159679844 495786043 /nfs/dbraw/zinc/78/60/43/495786043.db2.gz VVMAKDAQJXWJLO-LVCYWYKZSA-N 1 0 372.557 3.198 10 70 FGIERO O=C(Cc1ccc(Br)s1)NCC[NH2+]C1CCCCCC1 ZINC000159728908 495796454 /nfs/dbraw/zinc/79/64/54/495796454.db2.gz ISYAVUYDZNCANM-UHFFFAOYSA-N 1 0 359.333 3.482 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1ccc(F)cc1F ZINC000160410560 495957304 /nfs/dbraw/zinc/95/73/04/495957304.db2.gz MXFDXZLPVURNCN-OAHLLOKOSA-N 1 0 352.425 3.164 10 70 FGIERO O=C(CCN1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1ccccc1F ZINC000160660188 496014084 /nfs/dbraw/zinc/01/40/84/496014084.db2.gz COAMKILYNFNXOQ-QGZVFWFLSA-N 1 0 371.460 3.309 10 70 FGIERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160705272 496024546 /nfs/dbraw/zinc/02/45/46/496024546.db2.gz VRPDDZNRDQRALV-KRWDZBQOSA-N 1 0 359.539 3.272 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2C(=O)c2cccs2)[C@@H](C)C1 ZINC000161408100 496169491 /nfs/dbraw/zinc/16/94/91/496169491.db2.gz VAZCFQBCJOJBOP-YOEHRIQHSA-N 1 0 356.491 3.438 10 70 FGIERO c1nc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)sc1-c1ccccc1 ZINC000159885035 495832708 /nfs/dbraw/zinc/83/27/08/495832708.db2.gz WXNAQSSUGSZAGX-INIZCTEOSA-N 1 0 351.479 3.359 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000160025476 495866149 /nfs/dbraw/zinc/86/61/49/495866149.db2.gz CIJWBTNKJBQEHS-CQSZACIVSA-N 1 0 362.857 3.177 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000160042601 495870056 /nfs/dbraw/zinc/87/00/56/495870056.db2.gz JZODFNMGNKMKAW-RRFJBIMHSA-N 1 0 371.308 3.060 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000160408803 495957068 /nfs/dbraw/zinc/95/70/68/495957068.db2.gz BEKKXLZLOMYSTF-GOSISDBHSA-N 1 0 370.497 3.296 10 70 FGIERO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160459817 495967455 /nfs/dbraw/zinc/96/74/55/495967455.db2.gz PTMGKZLUIKFUSD-ROUUACIJSA-N 1 0 361.530 3.028 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000160532918 495985535 /nfs/dbraw/zinc/98/55/35/495985535.db2.gz OJCCITVUVWBXKQ-QUCCMNQESA-N 1 0 360.498 3.095 10 70 FGIERO O=C(CCN1CCCC[C@H]1c1nnc2n1CCCC2)Nc1ccccc1F ZINC000160660324 496013541 /nfs/dbraw/zinc/01/35/41/496013541.db2.gz COAMKILYNFNXOQ-KRWDZBQOSA-N 1 0 371.460 3.309 10 70 FGIERO C[N@H+](CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)Cc1ccc(F)cc1 ZINC000160990109 496081338 /nfs/dbraw/zinc/08/13/38/496081338.db2.gz XNDDOHXPJMHCEN-YLJYHZDGSA-N 1 0 364.411 3.344 10 70 FGIERO CCC[C@@H](C(=O)Nc1ccc(I)cc1C)[NH+](C)C ZINC000161159423 496116976 /nfs/dbraw/zinc/11/69/76/496116976.db2.gz GOTGKACQKOJXCR-ZDUSSCGKSA-N 1 0 360.239 3.268 10 70 FGIERO CCn1cc(C2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cn1 ZINC000160218425 495911926 /nfs/dbraw/zinc/91/19/26/495911926.db2.gz QSNJQZHLCWUCQS-SFHVURJKSA-N 1 0 363.550 3.158 10 70 FGIERO C[NH+](C)C[C@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 ZINC000160332413 495937074 /nfs/dbraw/zinc/93/70/74/495937074.db2.gz OIECNKYSHNLCBJ-UXHICEINSA-N 1 0 369.465 3.279 10 70 FGIERO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000160338431 495939938 /nfs/dbraw/zinc/93/99/38/495939938.db2.gz NFCCSKVNDFCEQK-GFCCVEGCSA-N 1 0 355.385 3.392 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000160461639 495968669 /nfs/dbraw/zinc/96/86/69/495968669.db2.gz DLOUJNVYHMLSNF-SFHVURJKSA-N 1 0 354.450 3.056 10 70 FGIERO Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(Br)c1 ZINC000161178867 496121745 /nfs/dbraw/zinc/12/17/45/496121745.db2.gz DZFIHYDGKYNHCQ-KBPBESRZSA-N 1 0 351.288 3.456 10 70 FGIERO C[NH+](C)C[C@@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1 ZINC000159841982 495821299 /nfs/dbraw/zinc/82/12/99/495821299.db2.gz ZCZAUDHNBAZSBL-QGZVFWFLSA-N 1 0 356.470 3.079 10 70 FGIERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000159868298 495827599 /nfs/dbraw/zinc/82/75/99/495827599.db2.gz WCKNRKLAOCCXFA-UNMCSNQZSA-N 1 0 371.525 3.119 10 70 FGIERO C[C@H](NCC[N@H+](C)Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1 ZINC000160119911 495889346 /nfs/dbraw/zinc/88/93/46/495889346.db2.gz AQMUUZFNJCACFI-INIZCTEOSA-N 1 0 353.445 3.189 10 70 FGIERO [NH3+]C[C@H]1CCCN1C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000160215408 495911720 /nfs/dbraw/zinc/91/17/20/495911720.db2.gz XLXHNEPOYLAVSB-GOSISDBHSA-N 1 0 358.869 3.411 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000160403208 495955710 /nfs/dbraw/zinc/95/57/10/495955710.db2.gz QAPXENVGHFTXJZ-HXUWFJFHSA-N 1 0 373.541 3.151 10 70 FGIERO Cc1cc(C)n(Cc2cccc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)c2)n1 ZINC000160469089 495970264 /nfs/dbraw/zinc/97/02/64/495970264.db2.gz LBHBBHULCJYNDA-OAQYLSRUSA-N 1 0 368.525 3.398 10 70 FGIERO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000161124956 496109277 /nfs/dbraw/zinc/10/92/77/496109277.db2.gz PJKBAMZVSAUFEF-SJORKVTESA-N 1 0 365.315 3.401 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000161159548 496116837 /nfs/dbraw/zinc/11/68/37/496116837.db2.gz CPSJHJVUZUZHLZ-KEYYUXOJSA-N 1 0 360.527 3.202 10 70 FGIERO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160083948 495880707 /nfs/dbraw/zinc/88/07/07/495880707.db2.gz YCMLNIYXFUONTL-BBRMVZONSA-N 1 0 373.324 3.135 10 70 FGIERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160171929 495900530 /nfs/dbraw/zinc/90/05/30/495900530.db2.gz RYCZXKXIGVJOOM-QFBILLFUSA-N 1 0 350.466 3.127 10 70 FGIERO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160307410 495931815 /nfs/dbraw/zinc/93/18/15/495931815.db2.gz VDTBLUJRKWOFJS-KRWDZBQOSA-N 1 0 366.914 3.101 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000160512723 495980096 /nfs/dbraw/zinc/98/00/96/495980096.db2.gz VDGMPGWOGJWZTI-GOSISDBHSA-N 1 0 360.502 3.067 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000160558387 495991940 /nfs/dbraw/zinc/99/19/40/495991940.db2.gz OLJICYLMHXPAIX-LZQZEXGQSA-N 1 0 357.498 3.131 10 70 FGIERO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160793552 496043439 /nfs/dbraw/zinc/04/34/39/496043439.db2.gz HIQQLRXUOXJTGF-KNQAVFIVSA-N 1 0 358.526 3.441 10 70 FGIERO C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000161042546 496091028 /nfs/dbraw/zinc/09/10/28/496091028.db2.gz ZEBPTAMKHJYLKJ-XJKSGUPXSA-N 1 0 351.288 3.249 10 70 FGIERO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161359053 496160182 /nfs/dbraw/zinc/16/01/82/496160182.db2.gz NAUGTCKAJYNPHG-LEWJYISDSA-N 1 0 365.477 3.116 10 70 FGIERO COCCN1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C[C@@H]1C ZINC000159754368 495801232 /nfs/dbraw/zinc/80/12/32/495801232.db2.gz SKOHQNLGKPEUMU-SFHVURJKSA-N 1 0 374.529 3.107 10 70 FGIERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159867933 495827335 /nfs/dbraw/zinc/82/73/35/495827335.db2.gz WCKNRKLAOCCXFA-IFMALSPDSA-N 1 0 371.525 3.119 10 70 FGIERO CN(Cc1noc(C2CCCCC2)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000159886655 495832482 /nfs/dbraw/zinc/83/24/82/495832482.db2.gz KQJHIBXEDFDZSL-MRXNPFEDSA-N 1 0 356.474 3.008 10 70 FGIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160348010 495942328 /nfs/dbraw/zinc/94/23/28/495942328.db2.gz JIKOJNRBVMVJLA-IBGZPJMESA-N 1 0 352.482 3.374 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000160461758 495968845 /nfs/dbraw/zinc/96/88/45/495968845.db2.gz DLOUJNVYHMLSNF-GOSISDBHSA-N 1 0 354.450 3.056 10 70 FGIERO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160628216 496007459 /nfs/dbraw/zinc/00/74/59/496007459.db2.gz JVSRFLNOOSTGHH-SOLBZPMBSA-N 1 0 373.415 3.072 10 70 FGIERO CN(CC[NH2+][C@H](CN1CCCC1=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000161443460 496177464 /nfs/dbraw/zinc/17/74/64/496177464.db2.gz TZGVFGCQKRECLQ-OAQYLSRUSA-N 1 0 369.484 3.211 10 70 FGIERO CC(C)c1ccc(CC2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)cc1 ZINC000159951042 495849075 /nfs/dbraw/zinc/84/90/75/495849075.db2.gz RFMFJWZKNVAHFR-OAQYLSRUSA-N 1 0 358.526 3.048 10 70 FGIERO CC[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160588953 495998571 /nfs/dbraw/zinc/99/85/71/495998571.db2.gz MGDGPRMMOMFCIA-DLBZAZTESA-N 1 0 372.431 3.162 10 70 FGIERO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160931623 496070067 /nfs/dbraw/zinc/07/00/67/496070067.db2.gz YFNSGXFWHCUSOB-KUHUBIRLSA-N 1 0 368.880 3.065 10 70 FGIERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC000161392232 496167178 /nfs/dbraw/zinc/16/71/78/496167178.db2.gz RSVDCSWBKQSNFY-WCQYABFASA-N 1 0 350.875 3.238 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000160241838 495916543 /nfs/dbraw/zinc/91/65/43/495916543.db2.gz UWKKMQNPMJPYDQ-CWRNSKLLSA-N 1 0 371.308 3.060 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000160482449 495973777 /nfs/dbraw/zinc/97/37/77/495973777.db2.gz NDXOTJPQLOZIKN-BBWFWOEESA-N 1 0 371.308 3.060 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000160558766 495991257 /nfs/dbraw/zinc/99/12/57/495991257.db2.gz OLJICYLMHXPAIX-KFKAGJAMSA-N 1 0 357.498 3.131 10 70 FGIERO O[C@]12CCCC[C@@H]1C[N@H+](CCOc1ccc(Br)cc1)CC2 ZINC000160618811 496004831 /nfs/dbraw/zinc/00/48/31/496004831.db2.gz SIPNFGDKOCZWKT-PBHICJAKSA-N 1 0 354.288 3.455 10 70 FGIERO CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000161091015 496101106 /nfs/dbraw/zinc/10/11/06/496101106.db2.gz BPMCUDIIKQTLRA-MRXNPFEDSA-N 1 0 359.474 3.359 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000160021980 495865368 /nfs/dbraw/zinc/86/53/68/495865368.db2.gz CISFUVVOIRGWKW-GFCCVEGCSA-N 1 0 370.280 3.051 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000160241695 495916319 /nfs/dbraw/zinc/91/63/19/495916319.db2.gz UWKKMQNPMJPYDQ-IMJJTQAJSA-N 1 0 371.308 3.060 10 70 FGIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOc1ccc(Br)cc1)CC2 ZINC000160618692 496004807 /nfs/dbraw/zinc/00/48/07/496004807.db2.gz SIPNFGDKOCZWKT-RHSMWYFYSA-N 1 0 354.288 3.455 10 70 FGIERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC000161392124 496167030 /nfs/dbraw/zinc/16/70/30/496167030.db2.gz RSVDCSWBKQSNFY-DGCLKSJQSA-N 1 0 350.875 3.238 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000161407989 496170206 /nfs/dbraw/zinc/17/02/06/496170206.db2.gz VAZCFQBCJOJBOP-PBHICJAKSA-N 1 0 356.491 3.438 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Oc2ccccc2)c1 ZINC000160002835 495861153 /nfs/dbraw/zinc/86/11/53/495861153.db2.gz KJSWIZRDQMAUDF-SFHVURJKSA-N 1 0 354.450 3.056 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000160539395 495987342 /nfs/dbraw/zinc/98/73/42/495987342.db2.gz VSSHANUWXXTPLJ-QUCCMNQESA-N 1 0 360.498 3.095 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000160558645 495991223 /nfs/dbraw/zinc/99/12/23/495991223.db2.gz OLJICYLMHXPAIX-ATZDWAIDSA-N 1 0 357.498 3.131 10 70 FGIERO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000161124827 496108765 /nfs/dbraw/zinc/10/87/65/496108765.db2.gz PJKBAMZVSAUFEF-IAGOWNOFSA-N 1 0 365.315 3.401 10 70 FGIERO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160392153 495952277 /nfs/dbraw/zinc/95/22/77/495952277.db2.gz IXJJLKZUKOHQRZ-PBHICJAKSA-N 1 0 372.431 3.162 10 70 FGIERO C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCC[NH+](C)C ZINC000160798939 496044576 /nfs/dbraw/zinc/04/45/76/496044576.db2.gz MBCLZOLYTXRIGF-LLVKDONJSA-N 1 0 370.284 3.482 10 70 FGIERO CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160816414 496047305 /nfs/dbraw/zinc/04/73/05/496047305.db2.gz OYDRALYWRKRIAW-DENIHFKCSA-N 1 0 374.525 3.109 10 70 FGIERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159868172 495827266 /nfs/dbraw/zinc/82/72/66/495827266.db2.gz WCKNRKLAOCCXFA-RBBKRZOGSA-N 1 0 371.525 3.119 10 70 FGIERO CCn1cc(C2CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)cn1 ZINC000160218553 495912060 /nfs/dbraw/zinc/91/20/60/495912060.db2.gz QSNJQZHLCWUCQS-GOSISDBHSA-N 1 0 363.550 3.158 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1Br ZINC000160475957 495971252 /nfs/dbraw/zinc/97/12/52/495971252.db2.gz ZAHSCGJIXKEWGL-CYBMUJFWSA-N 1 0 357.267 3.438 10 70 FGIERO CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160588821 495998326 /nfs/dbraw/zinc/99/83/26/495998326.db2.gz MGDGPRMMOMFCIA-IRXDYDNUSA-N 1 0 372.431 3.162 10 70 FGIERO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160632707 496008212 /nfs/dbraw/zinc/00/82/12/496008212.db2.gz JJDVCILRYRNZAI-UONOGXRCSA-N 1 0 350.422 3.100 10 70 FGIERO Cn1nccc1C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000160649994 496011827 /nfs/dbraw/zinc/01/18/27/496011827.db2.gz VWSMVGLQZORFSQ-UHFFFAOYSA-N 1 0 364.852 3.421 10 70 FGIERO CCC[C@H](C(=O)Nc1ccc(I)cc1C)[NH+](C)C ZINC000161159523 496117099 /nfs/dbraw/zinc/11/70/99/496117099.db2.gz GOTGKACQKOJXCR-CYBMUJFWSA-N 1 0 360.239 3.268 10 70 FGIERO Cc1ccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c(Br)c1 ZINC000161178987 496121704 /nfs/dbraw/zinc/12/17/04/496121704.db2.gz DZFIHYDGKYNHCQ-UONOGXRCSA-N 1 0 351.288 3.456 10 70 FGIERO CCC[C@@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000159363112 495717612 /nfs/dbraw/zinc/71/76/12/495717612.db2.gz HZFWZUUBKZFXJA-FCHUYYIVSA-N 1 0 366.505 3.106 10 70 FGIERO O=C(CCCSc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159927290 495842351 /nfs/dbraw/zinc/84/23/51/495842351.db2.gz JRZNQTAMVHLTFV-INIZCTEOSA-N 1 0 370.946 3.175 10 70 FGIERO O=C(NCc1cccc(-c2ccccn2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000160173849 495901091 /nfs/dbraw/zinc/90/10/91/495901091.db2.gz VWDZSHUDXJCLPR-IBGZPJMESA-N 1 0 350.466 3.128 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000160523402 495982957 /nfs/dbraw/zinc/98/29/57/495982957.db2.gz YONVJPWSGHCIFV-SFHVURJKSA-N 1 0 364.917 3.115 10 70 FGIERO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000160632329 496008536 /nfs/dbraw/zinc/00/85/36/496008536.db2.gz JJDVCILRYRNZAI-KGLIPLIRSA-N 1 0 350.422 3.100 10 70 FGIERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160724258 496028786 /nfs/dbraw/zinc/02/87/86/496028786.db2.gz ASICVOLRDQLCGS-WRWLIDTKSA-N 1 0 364.917 3.486 10 70 FGIERO O=C([C@H](c1ccccc1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCCCC1 ZINC000161111161 496104776 /nfs/dbraw/zinc/10/47/76/496104776.db2.gz XJCNMMIRLLKRLC-RZUBCFFCSA-N 1 0 356.510 3.367 10 70 FGIERO Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)cc2)n1 ZINC000160464509 495969182 /nfs/dbraw/zinc/96/91/82/495969182.db2.gz KCZXHNHVNVVBHX-OAQYLSRUSA-N 1 0 368.525 3.398 10 70 FGIERO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160793432 496043560 /nfs/dbraw/zinc/04/35/60/496043560.db2.gz HIQQLRXUOXJTGF-DENIHFKCSA-N 1 0 358.526 3.441 10 70 FGIERO CC(C)CNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000161048237 496093495 /nfs/dbraw/zinc/09/34/95/496093495.db2.gz XASFZECNXNGFLN-LJQANCHMSA-N 1 0 374.529 3.314 10 70 FGIERO CN(CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Cc1ccc(F)cc1 ZINC000161305950 496148774 /nfs/dbraw/zinc/14/87/74/496148774.db2.gz XFSBPTGUIHPVLP-KRWDZBQOSA-N 1 0 357.477 3.133 10 70 FGIERO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)o1 ZINC000159448978 495735633 /nfs/dbraw/zinc/73/56/33/495735633.db2.gz DBMZBUWKCGMZQA-INIZCTEOSA-N 1 0 356.466 3.283 10 70 FGIERO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000159972228 495853319 /nfs/dbraw/zinc/85/33/19/495853319.db2.gz YPSACIIPHLJPQY-GOSISDBHSA-N 1 0 372.513 3.129 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(Sc2ccccc2)CCCC1 ZINC000160045425 495871334 /nfs/dbraw/zinc/87/13/34/495871334.db2.gz NEVQSKSCMUBUSR-KRWDZBQOSA-N 1 0 362.539 3.055 10 70 FGIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOc1cccc(Br)c1)CC2 ZINC000160615339 496003320 /nfs/dbraw/zinc/00/33/20/496003320.db2.gz ZIEFPCSONCKVRN-RHSMWYFYSA-N 1 0 354.288 3.455 10 70 FGIERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000160700634 496023397 /nfs/dbraw/zinc/02/33/97/496023397.db2.gz INQKATWDZHPVJK-SNVBAGLBSA-N 1 0 365.193 3.244 10 70 FGIERO CCN(Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C(C)=O ZINC000159449627 495735798 /nfs/dbraw/zinc/73/57/98/495735798.db2.gz ORVDYQHHMZDJJL-LJQANCHMSA-N 1 0 374.529 3.297 10 70 FGIERO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000159909684 495838249 /nfs/dbraw/zinc/83/82/49/495838249.db2.gz NAJJRKXLGQFCOY-LSDHHAIUSA-N 1 0 372.431 3.162 10 70 FGIERO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000161125190 496108511 /nfs/dbraw/zinc/10/85/11/496108511.db2.gz PJKBAMZVSAUFEF-IRXDYDNUSA-N 1 0 365.315 3.401 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2[nH]c3ccccc3c2Br)[C@@H](C)C1 ZINC000161167816 496118746 /nfs/dbraw/zinc/11/87/46/496118746.db2.gz VJGRAGASIJADGI-FZMZJTMJSA-N 1 0 364.287 3.389 10 70 FGIERO COCCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000161256458 496138185 /nfs/dbraw/zinc/13/81/85/496138185.db2.gz YOYMNTVMZVNSLZ-BQFCYCMXSA-N 1 0 350.503 3.100 10 70 FGIERO C[NH+](C)C[C@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1 ZINC000159841889 495821500 /nfs/dbraw/zinc/82/15/00/495821500.db2.gz ZCZAUDHNBAZSBL-KRWDZBQOSA-N 1 0 356.470 3.079 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000160042219 495869754 /nfs/dbraw/zinc/86/97/54/495869754.db2.gz JZODFNMGNKMKAW-KKUMJFAQSA-N 1 0 371.308 3.060 10 70 FGIERO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 ZINC000160332548 495937885 /nfs/dbraw/zinc/93/78/85/495937885.db2.gz OIECNKYSHNLCBJ-WOJBJXKFSA-N 1 0 369.465 3.279 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000161271213 496141533 /nfs/dbraw/zinc/14/15/33/496141533.db2.gz DPMHKGFNAZYEMX-GOSISDBHSA-N 1 0 360.502 3.067 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(CSc3nccn3C)c2)[C@@H](C)C1 ZINC000161315447 496150585 /nfs/dbraw/zinc/15/05/85/496150585.db2.gz JJIOHTMGFLPDCC-YJBOKZPZSA-N 1 0 372.538 3.171 10 70 FGIERO CCSc1ccc(Cl)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159903380 495836071 /nfs/dbraw/zinc/83/60/71/495836071.db2.gz JSHBTTVPVJDVCP-AWEZNQCLSA-N 1 0 356.919 3.029 10 70 FGIERO O=C(CCCc1csc2ccccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159981966 495855103 /nfs/dbraw/zinc/85/51/03/495855103.db2.gz WBIZQUSPUAUROQ-QGZVFWFLSA-N 1 0 360.523 3.187 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2cccc(Cl)c2)CCCC1 ZINC000160243777 495917040 /nfs/dbraw/zinc/91/70/40/495917040.db2.gz IEEQZPUKWAXSIF-SFHVURJKSA-N 1 0 364.917 3.115 10 70 FGIERO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000160338558 495939728 /nfs/dbraw/zinc/93/97/28/495939728.db2.gz NFCCSKVNDFCEQK-LBPRGKRZSA-N 1 0 355.385 3.392 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cnccn2)c1 ZINC000160547697 495989423 /nfs/dbraw/zinc/98/94/23/495989423.db2.gz XZNVFLNBHJNVNQ-QGZVFWFLSA-N 1 0 354.454 3.119 10 70 FGIERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccc(Cl)cc1F ZINC000160653653 496012971 /nfs/dbraw/zinc/01/29/71/496012971.db2.gz VDBFWSZTCFXBDC-UHFFFAOYSA-N 1 0 350.825 3.410 10 70 FGIERO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160392281 495951579 /nfs/dbraw/zinc/95/15/79/495951579.db2.gz FLHICUBQWOXGBT-LJQANCHMSA-N 1 0 362.562 3.325 10 70 FGIERO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cnn1-c1ccccc1F ZINC000160410681 495957332 /nfs/dbraw/zinc/95/73/32/495957332.db2.gz UKGVEQAGQAYGFH-MRXNPFEDSA-N 1 0 358.461 3.170 10 70 FGIERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160460218 495967593 /nfs/dbraw/zinc/96/75/93/495967593.db2.gz PTMGKZLUIKFUSD-QZTJIDSGSA-N 1 0 361.530 3.028 10 70 FGIERO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160459944 495968073 /nfs/dbraw/zinc/96/80/73/495968073.db2.gz PTMGKZLUIKFUSD-MSOLQXFVSA-N 1 0 361.530 3.028 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000160482578 495973866 /nfs/dbraw/zinc/97/38/66/495973866.db2.gz NDXOTJPQLOZIKN-YESZJQIVSA-N 1 0 371.308 3.060 10 70 FGIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160518768 495981976 /nfs/dbraw/zinc/98/19/76/495981976.db2.gz PZRKIGGJBABYIG-CQSZACIVSA-N 1 0 352.784 3.390 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000160530399 495984684 /nfs/dbraw/zinc/98/46/84/495984684.db2.gz KJKCOSHHXKMCML-IPELMVKDSA-N 1 0 357.498 3.131 10 70 FGIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000161056065 496094418 /nfs/dbraw/zinc/09/44/18/496094418.db2.gz FNIOLPNAISKLIR-GGAORHGYSA-N 1 0 370.537 3.095 10 70 FGIERO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1OC ZINC000159433164 495732669 /nfs/dbraw/zinc/73/26/69/495732669.db2.gz PMTTWRPIODSZAE-CVEARBPZSA-N 1 0 356.466 3.368 10 70 FGIERO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000159909449 495838513 /nfs/dbraw/zinc/83/85/13/495838513.db2.gz NAJJRKXLGQFCOY-GJZGRUSLSA-N 1 0 372.431 3.162 10 70 FGIERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159964740 495851662 /nfs/dbraw/zinc/85/16/62/495851662.db2.gz JFIKKZBTZROQCZ-ZDUSSCGKSA-N 1 0 351.292 3.242 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000160149103 495896769 /nfs/dbraw/zinc/89/67/69/495896769.db2.gz JMIIBRSMRGGDMA-MRXNPFEDSA-N 1 0 362.470 3.131 10 70 FGIERO CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160816523 496047777 /nfs/dbraw/zinc/04/77/77/496047777.db2.gz OYDRALYWRKRIAW-KNQAVFIVSA-N 1 0 374.525 3.109 10 70 FGIERO CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000161090909 496100969 /nfs/dbraw/zinc/10/09/69/496100969.db2.gz BPMCUDIIKQTLRA-INIZCTEOSA-N 1 0 359.474 3.359 10 70 FGIERO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000161413506 496171249 /nfs/dbraw/zinc/17/12/49/496171249.db2.gz PAZFNUQFZLRLGU-OAHLLOKOSA-N 1 0 360.498 3.393 10 70 FGIERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000159871104 495828597 /nfs/dbraw/zinc/82/85/97/495828597.db2.gz QDHOVRUGMDFLJU-MRXNPFEDSA-N 1 0 369.513 3.428 10 70 FGIERO O=C(CCCSc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159927427 495842144 /nfs/dbraw/zinc/84/21/44/495842144.db2.gz JRZNQTAMVHLTFV-MRXNPFEDSA-N 1 0 370.946 3.175 10 70 FGIERO CCOCC[N@@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1CC ZINC000159930512 495843904 /nfs/dbraw/zinc/84/39/04/495843904.db2.gz TWWGIIFMXOEMSN-QGZVFWFLSA-N 1 0 350.507 3.050 10 70 FGIERO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160084139 495880374 /nfs/dbraw/zinc/88/03/74/495880374.db2.gz YCMLNIYXFUONTL-XJKSGUPXSA-N 1 0 373.324 3.135 10 70 FGIERO CC(C)[C@@H](CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000160111179 495886888 /nfs/dbraw/zinc/88/68/88/495886888.db2.gz IFISKRBZKPQXHK-SFHLNBCPSA-N 1 0 365.562 3.080 10 70 FGIERO C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000161042666 496091430 /nfs/dbraw/zinc/09/14/30/496091430.db2.gz ZEBPTAMKHJYLKJ-CZUORRHYSA-N 1 0 351.288 3.249 10 70 FGIERO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161095175 496102724 /nfs/dbraw/zinc/10/27/24/496102724.db2.gz FYZOUUJKKSKUMY-DLBZAZTESA-N 1 0 370.415 3.262 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000161167690 496119199 /nfs/dbraw/zinc/11/91/99/496119199.db2.gz VJGRAGASIJADGI-RISCZKNCSA-N 1 0 364.287 3.389 10 70 FGIERO COc1cccc([C@@H]2CN(CC[N@H+](C)Cc3ccc(F)cc3)CCO2)c1 ZINC000160296772 495929647 /nfs/dbraw/zinc/92/96/47/495929647.db2.gz NHOONYDPBNIZTQ-NRFANRHFSA-N 1 0 358.457 3.340 10 70 FGIERO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc2ccccc12 ZINC000160356391 495943747 /nfs/dbraw/zinc/94/37/47/495943747.db2.gz HHOPEJUASWLJOC-NHCUHLMSSA-N 1 0 367.493 3.041 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000160482324 495973422 /nfs/dbraw/zinc/97/34/22/495973422.db2.gz NDXOTJPQLOZIKN-ULQDDVLXSA-N 1 0 371.308 3.060 10 70 FGIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000160518638 495981752 /nfs/dbraw/zinc/98/17/52/495981752.db2.gz PZRKIGGJBABYIG-AWEZNQCLSA-N 1 0 352.784 3.390 10 70 FGIERO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160632586 496008355 /nfs/dbraw/zinc/00/83/55/496008355.db2.gz JJDVCILRYRNZAI-ZIAGYGMSSA-N 1 0 350.422 3.100 10 70 FGIERO O[C@H](Cc1ccccc1)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161078445 496098391 /nfs/dbraw/zinc/09/83/91/496098391.db2.gz HBCUDYCNSCMSHS-GUDVDZBRSA-N 1 0 365.395 3.417 10 70 FGIERO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161115946 496105966 /nfs/dbraw/zinc/10/59/66/496105966.db2.gz RLBACPSAPIUVMZ-WRWLIDTKSA-N 1 0 362.539 3.211 10 70 FGIERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000159791285 495809363 /nfs/dbraw/zinc/80/93/63/495809363.db2.gz YBIJSGSOLAQYEC-OYNPSCLESA-N 1 0 371.525 3.250 10 70 FGIERO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160387137 495951000 /nfs/dbraw/zinc/95/10/00/495951000.db2.gz FBPPJHROEXMQPK-HXUWFJFHSA-N 1 0 368.525 3.268 10 70 FGIERO CCn1cc(C2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cn1 ZINC000160461806 495968922 /nfs/dbraw/zinc/96/89/22/495968922.db2.gz GPRSXQPGALGKSV-FQEVSTJZSA-N 1 0 352.482 3.102 10 70 FGIERO O[C@]12CCCC[C@@H]1C[N@H+](CCCCCn1nnc(-c3ccccc3)n1)CC2 ZINC000160506215 495978236 /nfs/dbraw/zinc/97/82/36/495978236.db2.gz DERHLFLFUYJCEY-CTNGQTDRSA-N 1 0 369.513 3.137 10 70 FGIERO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000161123181 496109190 /nfs/dbraw/zinc/10/91/90/496109190.db2.gz ILHAPRPXUCVRGP-RBBKRZOGSA-N 1 0 373.541 3.365 10 70 FGIERO CC[NH+](CC)CCSCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159789072 495810087 /nfs/dbraw/zinc/81/00/87/495810087.db2.gz NTGKBUIEOCNYKX-MRXNPFEDSA-N 1 0 350.528 3.480 10 70 FGIERO CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000159976267 495854234 /nfs/dbraw/zinc/85/42/34/495854234.db2.gz KUKHJUYJWUEMHE-NSHDSACASA-N 1 0 352.276 3.391 10 70 FGIERO CC(C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000160294487 495927969 /nfs/dbraw/zinc/92/79/69/495927969.db2.gz SMHOMMBTZZBEMQ-ROUUACIJSA-N 1 0 352.906 3.043 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000160376218 495949731 /nfs/dbraw/zinc/94/97/31/495949731.db2.gz VUQKCQDNMXPTDG-LJQANCHMSA-N 1 0 373.541 3.199 10 70 FGIERO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)n1C1CCCCC1 ZINC000160450598 495966796 /nfs/dbraw/zinc/96/67/96/495966796.db2.gz GOUHFVUORXZVIH-LJQANCHMSA-N 1 0 361.530 3.187 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Oc1ccccc1 ZINC000160523145 495983708 /nfs/dbraw/zinc/98/37/08/495983708.db2.gz VJIVFBJIEXEXMU-KRWDZBQOSA-N 1 0 354.450 3.056 10 70 FGIERO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161139348 496112904 /nfs/dbraw/zinc/11/29/04/496112904.db2.gz UOQFYGLUPLKSCU-AKCHCHLHSA-N 1 0 366.452 3.111 10 70 FGIERO CC(C)=CCSc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160345301 495941025 /nfs/dbraw/zinc/94/10/25/495941025.db2.gz HXLCUOROIQRKQC-QGZVFWFLSA-N 1 0 362.539 3.322 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000160395570 495952873 /nfs/dbraw/zinc/95/28/73/495952873.db2.gz OBVXFPVBGQVPCV-HXUWFJFHSA-N 1 0 354.498 3.042 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Sc1ccccc1 ZINC000160586150 495998599 /nfs/dbraw/zinc/99/85/99/495998599.db2.gz BCHFBWWXRCNDGE-QGZVFWFLSA-N 1 0 370.518 3.414 10 70 FGIERO CCCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000161446370 496177953 /nfs/dbraw/zinc/17/79/53/496177953.db2.gz ZFVKGIZSNJEVMR-GOSISDBHSA-N 1 0 360.502 3.068 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000160241973 495916221 /nfs/dbraw/zinc/91/62/21/495916221.db2.gz UWKKMQNPMJPYDQ-NUEKZKHPSA-N 1 0 371.308 3.060 10 70 FGIERO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc2ccccc12 ZINC000160356506 495943478 /nfs/dbraw/zinc/94/34/78/495943478.db2.gz HHOPEJUASWLJOC-LEWJYISDSA-N 1 0 367.493 3.041 10 70 FGIERO CC[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160589168 495998264 /nfs/dbraw/zinc/99/82/64/495998264.db2.gz MGDGPRMMOMFCIA-IAGOWNOFSA-N 1 0 372.431 3.162 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000160742020 496033326 /nfs/dbraw/zinc/03/33/26/496033326.db2.gz ISECLOCEANZHSN-LJQANCHMSA-N 1 0 372.513 3.051 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCC(=O)c2ccc(Cl)cc2)C1 ZINC000161087357 496099881 /nfs/dbraw/zinc/09/98/81/496099881.db2.gz FXORNQZGHSTBLJ-CJNGLKHVSA-N 1 0 368.930 3.101 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000161159644 496116710 /nfs/dbraw/zinc/11/67/10/496116710.db2.gz CPSJHJVUZUZHLZ-ZQIUZPCESA-N 1 0 360.527 3.202 10 70 FGIERO CCC[C@@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)[NH+](C)C ZINC000161390337 496166622 /nfs/dbraw/zinc/16/66/22/496166622.db2.gz JJFWBIAFNAERBM-KRWDZBQOSA-N 1 0 358.442 3.270 10 70 FGIERO COc1ccc(Br)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160443698 495965234 /nfs/dbraw/zinc/96/52/34/495965234.db2.gz WEAHEVCGYDTQIJ-CYBMUJFWSA-N 1 0 369.303 3.308 10 70 FGIERO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160460085 495968152 /nfs/dbraw/zinc/96/81/52/495968152.db2.gz PTMGKZLUIKFUSD-ZWKOTPCHSA-N 1 0 361.530 3.028 10 70 FGIERO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000161429464 496175011 /nfs/dbraw/zinc/17/50/11/496175011.db2.gz XYMSWVKMSKAMMW-TZIWHRDSSA-N 1 0 371.452 3.298 10 70 FGIERO Cc1ccc(-c2ccsc2C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160099865 495882886 /nfs/dbraw/zinc/88/28/86/495882886.db2.gz ZPAMYYQVASZYHA-KRWDZBQOSA-N 1 0 358.507 3.300 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000160403920 495956189 /nfs/dbraw/zinc/95/61/89/495956189.db2.gz FSCKORCCSPRPQG-NRFANRHFSA-N 1 0 366.505 3.048 10 70 FGIERO CC(=O)c1cccc(OCCCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160576278 495994524 /nfs/dbraw/zinc/99/45/24/495994524.db2.gz XKNOBASOCQYINP-LJQANCHMSA-N 1 0 360.498 3.285 10 70 FGIERO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1OC(F)F ZINC000160604618 496001515 /nfs/dbraw/zinc/00/15/15/496001515.db2.gz XKVZOLGZEGEXLX-CQSZACIVSA-N 1 0 356.413 3.147 10 70 FGIERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 ZINC000160845307 496053081 /nfs/dbraw/zinc/05/30/81/496053081.db2.gz GCENVPFRXSHIMS-KRWDZBQOSA-N 1 0 355.486 3.403 10 70 FGIERO COCCN1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C[C@H]1C ZINC000159754236 495801334 /nfs/dbraw/zinc/80/13/34/495801334.db2.gz SKOHQNLGKPEUMU-GOSISDBHSA-N 1 0 374.529 3.107 10 70 FGIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(Br)c(F)c1 ZINC000159997963 495859830 /nfs/dbraw/zinc/85/98/30/495859830.db2.gz OWXMOAZQDXBLCX-CYBMUJFWSA-N 1 0 357.267 3.073 10 70 FGIERO COc1ccc(C(=O)CCCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160457469 495967415 /nfs/dbraw/zinc/96/74/15/495967415.db2.gz CNXFOVBLZNTZHC-GOSISDBHSA-N 1 0 360.498 3.285 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Sc1ccccc1 ZINC000160586012 495997521 /nfs/dbraw/zinc/99/75/21/495997521.db2.gz BCHFBWWXRCNDGE-KRWDZBQOSA-N 1 0 370.518 3.414 10 70 FGIERO CCN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000160993179 496080825 /nfs/dbraw/zinc/08/08/25/496080825.db2.gz KRLYNOKENQGPGN-YRISNDGFSA-N 1 0 362.489 3.362 10 70 FGIERO CC[N@H+](CCc1nccs1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000159386611 495722269 /nfs/dbraw/zinc/72/22/69/495722269.db2.gz QCYPPHNMBHAOJP-MRXNPFEDSA-N 1 0 354.903 3.239 10 70 FGIERO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000159880624 495831799 /nfs/dbraw/zinc/83/17/99/495831799.db2.gz QVFOVLUZWPWWIF-UHFFFAOYSA-N 1 0 368.481 3.144 10 70 FGIERO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160084246 495880649 /nfs/dbraw/zinc/88/06/49/495880649.db2.gz YCMLNIYXFUONTL-CZUORRHYSA-N 1 0 373.324 3.135 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000160493074 495974991 /nfs/dbraw/zinc/97/49/91/495974991.db2.gz YFNJJYHKYRHGQY-GOSISDBHSA-N 1 0 368.481 3.464 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000160492807 495975246 /nfs/dbraw/zinc/97/52/46/495975246.db2.gz JBYUTIFEEOMPTD-OAHLLOKOSA-N 1 0 352.425 3.164 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000160575437 495994772 /nfs/dbraw/zinc/99/47/72/495994772.db2.gz GOMZDDVVPZWZGE-GOSISDBHSA-N 1 0 368.481 3.464 10 70 FGIERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159868037 495827960 /nfs/dbraw/zinc/82/79/60/495827960.db2.gz WCKNRKLAOCCXFA-IRLDBZIGSA-N 1 0 371.525 3.119 10 70 FGIERO O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160285006 495926676 /nfs/dbraw/zinc/92/66/76/495926676.db2.gz BZCJNAJHJBFJFU-OAQYLSRUSA-N 1 0 366.505 3.172 10 70 FGIERO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000161125051 496108431 /nfs/dbraw/zinc/10/84/31/496108431.db2.gz PJKBAMZVSAUFEF-DLBZAZTESA-N 1 0 365.315 3.401 10 70 FGIERO COCCOc1cc(C)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000161144806 496113667 /nfs/dbraw/zinc/11/36/67/496113667.db2.gz LVBGVBNYYCWRMS-QGZVFWFLSA-N 1 0 363.502 3.262 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000161402033 496168892 /nfs/dbraw/zinc/16/88/92/496168892.db2.gz MNTBOBHXUHIUFL-UZLBHIALSA-N 1 0 365.477 3.397 10 70 FGIERO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000161429301 496174713 /nfs/dbraw/zinc/17/47/13/496174713.db2.gz XYMSWVKMSKAMMW-PZJWPPBQSA-N 1 0 371.452 3.298 10 70 FGIERO CCOCC[N@@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1CC ZINC000159930641 495843422 /nfs/dbraw/zinc/84/34/22/495843422.db2.gz TWWGIIFMXOEMSN-KRWDZBQOSA-N 1 0 350.507 3.050 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](C)C1 ZINC000161402169 496169445 /nfs/dbraw/zinc/16/94/45/496169445.db2.gz MNTBOBHXUHIUFL-JXFKEZNVSA-N 1 0 365.477 3.397 10 70 FGIERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159382763 495720562 /nfs/dbraw/zinc/72/05/62/495720562.db2.gz CXQCTTDIEVYKHF-MRXNPFEDSA-N 1 0 360.452 3.119 10 70 FGIERO COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2C)cc1OC ZINC000159433430 495732288 /nfs/dbraw/zinc/73/22/88/495732288.db2.gz PMTTWRPIODSZAE-HZPDHXFCSA-N 1 0 356.466 3.368 10 70 FGIERO CN(CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000159654411 495779799 /nfs/dbraw/zinc/77/97/99/495779799.db2.gz YNUSCEQPCYPILW-GOSISDBHSA-N 1 0 363.521 3.132 10 70 FGIERO COc1ccc(C2(CNC(=O)[C@H]3CCC[NH2+]C3)CCCCC2)cc1OC ZINC000160140556 495893833 /nfs/dbraw/zinc/89/38/33/495893833.db2.gz URGIZMFFLMUEHQ-INIZCTEOSA-N 1 0 360.498 3.022 10 70 FGIERO Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C2CC2)cc1 ZINC000160921447 496067983 /nfs/dbraw/zinc/06/79/83/496067983.db2.gz VJKYLJMJZKWSIM-DENIHFKCSA-N 1 0 356.510 3.113 10 70 FGIERO COCCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000161256336 496138258 /nfs/dbraw/zinc/13/82/58/496138258.db2.gz YOYMNTVMZVNSLZ-RYRKJORJSA-N 1 0 350.503 3.100 10 70 FGIERO CCC[C@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)[NH+](C)C ZINC000161390467 496166244 /nfs/dbraw/zinc/16/62/44/496166244.db2.gz JJFWBIAFNAERBM-QGZVFWFLSA-N 1 0 358.442 3.270 10 70 FGIERO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000159493860 495743739 /nfs/dbraw/zinc/74/37/39/495743739.db2.gz JXTKYRRNOQMQDT-LJQANCHMSA-N 1 0 373.545 3.343 10 70 FGIERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1-n1cccn1 ZINC000159695284 495789233 /nfs/dbraw/zinc/78/92/33/495789233.db2.gz GPZQFMNZJWJEDO-DYESRHJHSA-N 1 0 362.477 3.222 10 70 FGIERO Cc1ccc(-c2ccsc2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160099986 495882934 /nfs/dbraw/zinc/88/29/34/495882934.db2.gz ZPAMYYQVASZYHA-QGZVFWFLSA-N 1 0 358.507 3.300 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Br ZINC000160568865 495993904 /nfs/dbraw/zinc/99/39/04/495993904.db2.gz XDBOHGQBGUICGF-CYBMUJFWSA-N 1 0 357.267 3.438 10 70 FGIERO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000160624586 496006294 /nfs/dbraw/zinc/00/62/94/496006294.db2.gz DSEKDOLDBCYAAG-GOSISDBHSA-N 1 0 357.498 3.163 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Nc1ccccc1 ZINC000160148409 495896512 /nfs/dbraw/zinc/89/65/12/495896512.db2.gz SJRGOHSEOITFEY-SFHVURJKSA-N 1 0 353.466 3.007 10 70 FGIERO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161095413 496101939 /nfs/dbraw/zinc/10/19/39/496101939.db2.gz FYZOUUJKKSKUMY-IAGOWNOFSA-N 1 0 370.415 3.262 10 70 FGIERO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000161095056 496102922 /nfs/dbraw/zinc/10/29/22/496102922.db2.gz FYZOUUJKKSKUMY-IRXDYDNUSA-N 1 0 370.415 3.262 10 70 FGIERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC000161391892 496167001 /nfs/dbraw/zinc/16/70/01/496167001.db2.gz RSVDCSWBKQSNFY-YPMHNXCESA-N 1 0 350.875 3.238 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(-c3ccccn3)c2)[C@@H](C)C1 ZINC000159596320 495766108 /nfs/dbraw/zinc/76/61/08/495766108.db2.gz VTFPRUVHQUZWOD-JXFKEZNVSA-N 1 0 352.482 3.277 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000159596216 495766335 /nfs/dbraw/zinc/76/63/35/495766335.db2.gz VTFPRUVHQUZWOD-UZLBHIALSA-N 1 0 352.482 3.277 10 70 FGIERO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000159656789 495779667 /nfs/dbraw/zinc/77/96/67/495779667.db2.gz DCODZRRCHMOQEB-NEPJUHHUSA-N 1 0 357.317 3.046 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)[C@@H](C)C1 ZINC000161130341 496109661 /nfs/dbraw/zinc/10/96/61/496109661.db2.gz KDGPCDRGFYCQOK-YJBOKZPZSA-N 1 0 364.917 3.233 10 70 FGIERO CCC[C@H](C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000161420171 496173788 /nfs/dbraw/zinc/17/37/88/496173788.db2.gz FXLBZZIDKGRUKG-GOSISDBHSA-N 1 0 351.922 3.105 10 70 FGIERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1-n1cccn1 ZINC000159695131 495789216 /nfs/dbraw/zinc/78/92/16/495789216.db2.gz GPZQFMNZJWJEDO-LAUBAEHRSA-N 1 0 362.477 3.222 10 70 FGIERO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160084018 495880532 /nfs/dbraw/zinc/88/05/32/495880532.db2.gz YCMLNIYXFUONTL-CJNGLKHVSA-N 1 0 373.324 3.135 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000160530522 495984073 /nfs/dbraw/zinc/98/40/73/495984073.db2.gz KJKCOSHHXKMCML-ATZDWAIDSA-N 1 0 357.498 3.131 10 70 FGIERO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000160632451 496008292 /nfs/dbraw/zinc/00/82/92/496008292.db2.gz JJDVCILRYRNZAI-KBPBESRZSA-N 1 0 350.422 3.100 10 70 FGIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160702199 496023338 /nfs/dbraw/zinc/02/33/38/496023338.db2.gz QUWQOEGTRYDESA-WTGUMLROSA-N 1 0 357.498 3.175 10 70 FGIERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160705142 496024655 /nfs/dbraw/zinc/02/46/55/496024655.db2.gz VRPDDZNRDQRALV-QGZVFWFLSA-N 1 0 359.539 3.272 10 70 FGIERO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000161123305 496108746 /nfs/dbraw/zinc/10/87/46/496108746.db2.gz ILHAPRPXUCVRGP-UNMCSNQZSA-N 1 0 373.541 3.365 10 70 FGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000161130248 496110119 /nfs/dbraw/zinc/11/01/19/496110119.db2.gz KDGPCDRGFYCQOK-QAPCUYQASA-N 1 0 364.917 3.233 10 70 FGIERO Clc1cnc(NCCC[NH2+]Cc2cccnc2)c(Br)c1 ZINC000159662984 495781464 /nfs/dbraw/zinc/78/14/64/495781464.db2.gz CSSLOVSSGBCMBN-UHFFFAOYSA-N 1 0 355.667 3.484 10 70 FGIERO CN(Cc1noc(C2CCCCC2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000159886799 495832653 /nfs/dbraw/zinc/83/26/53/495832653.db2.gz KQJHIBXEDFDZSL-INIZCTEOSA-N 1 0 356.474 3.008 10 70 FGIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(Br)c(F)c1 ZINC000159998106 495859630 /nfs/dbraw/zinc/85/96/30/495859630.db2.gz OWXMOAZQDXBLCX-ZDUSSCGKSA-N 1 0 357.267 3.073 10 70 FGIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160347866 495942498 /nfs/dbraw/zinc/94/24/98/495942498.db2.gz JIKOJNRBVMVJLA-LJQANCHMSA-N 1 0 352.482 3.374 10 70 FGIERO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160458812 495967275 /nfs/dbraw/zinc/96/72/75/495967275.db2.gz NZAZUDBQYXQOAH-OAHLLOKOSA-N 1 0 351.878 3.149 10 70 FGIERO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC(F)F ZINC000160553615 495990272 /nfs/dbraw/zinc/99/02/72/495990272.db2.gz BVZNEDANDHVBNK-CQSZACIVSA-N 1 0 356.413 3.147 10 70 FGIERO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160680968 496018055 /nfs/dbraw/zinc/01/80/55/496018055.db2.gz ZPRXEPGNHFHBAH-ZWCUEREDSA-N 1 0 374.525 3.280 10 70 FGIERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000160700755 496023371 /nfs/dbraw/zinc/02/33/71/496023371.db2.gz INQKATWDZHPVJK-JTQLQIEISA-N 1 0 365.193 3.244 10 70 FGIERO CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000160783706 496041286 /nfs/dbraw/zinc/04/12/86/496041286.db2.gz JTGBANLPNFJCCY-SYYKKAFVSA-N 1 0 356.510 3.149 10 70 FGIERO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1cn(C)nc1C(F)(F)F ZINC000160948959 496073782 /nfs/dbraw/zinc/07/37/82/496073782.db2.gz NRYQJLKQSQHCNB-UHFFFAOYSA-N 1 0 358.383 3.142 10 70 FGIERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159382897 495720840 /nfs/dbraw/zinc/72/08/40/495720840.db2.gz CXQCTTDIEVYKHF-INIZCTEOSA-N 1 0 360.452 3.119 10 70 FGIERO CCc1nccn1[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159464067 495737519 /nfs/dbraw/zinc/73/75/19/495737519.db2.gz WMDIOOWKNUTTEO-GOSISDBHSA-N 1 0 360.546 3.367 10 70 FGIERO CCc1ccc(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)o2)cc1 ZINC000160138094 495893933 /nfs/dbraw/zinc/89/39/33/495893933.db2.gz QXDQLUPAHQDNRN-GOSISDBHSA-N 1 0 356.466 3.086 10 70 FGIERO CCn1cc(C2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cn1 ZINC000160461920 495968641 /nfs/dbraw/zinc/96/86/41/495968641.db2.gz GPRSXQPGALGKSV-HXUWFJFHSA-N 1 0 352.482 3.102 10 70 FGIERO CC(C)[N@H+]1C[C@H](NC(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000161087477 496099711 /nfs/dbraw/zinc/09/97/11/496099711.db2.gz FXORNQZGHSTBLJ-BBRMVZONSA-N 1 0 368.930 3.101 10 70 FGIERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C3CCC(C)(C)CC3)CC2)nc1 ZINC000160405618 495955788 /nfs/dbraw/zinc/95/57/88/495955788.db2.gz GFUGVQMZHYUUND-UHFFFAOYSA-N 1 0 358.530 3.008 10 70 FGIERO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161122936 496108519 /nfs/dbraw/zinc/10/85/19/496108519.db2.gz ILHAPRPXUCVRGP-IFMALSPDSA-N 1 0 373.541 3.365 10 70 FGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Oc2ccccc2)c1 ZINC000160002942 495861314 /nfs/dbraw/zinc/86/13/14/495861314.db2.gz KJSWIZRDQMAUDF-GOSISDBHSA-N 1 0 354.450 3.056 10 70 FGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000160042476 495869653 /nfs/dbraw/zinc/86/96/53/495869653.db2.gz JZODFNMGNKMKAW-SOUVJXGZSA-N 1 0 371.308 3.060 10 70 FGIERO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160272947 495925337 /nfs/dbraw/zinc/92/53/37/495925337.db2.gz HWHDUCOEJGZWTL-MRXNPFEDSA-N 1 0 363.465 3.243 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)s1 ZINC000160378801 495949365 /nfs/dbraw/zinc/94/93/65/495949365.db2.gz ZUYFNFYVXUXAND-GFCCVEGCSA-N 1 0 359.333 3.290 10 70 FGIERO Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C2CC2)cc1 ZINC000160921590 496067932 /nfs/dbraw/zinc/06/79/32/496067932.db2.gz VJKYLJMJZKWSIM-KNQAVFIVSA-N 1 0 356.510 3.113 10 70 FGIERO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 ZINC000160332802 495937411 /nfs/dbraw/zinc/93/74/11/495937411.db2.gz OIECNKYSHNLCBJ-VQTJNVASSA-N 1 0 369.465 3.279 10 70 FGIERO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160392037 495952401 /nfs/dbraw/zinc/95/24/01/495952401.db2.gz IXJJLKZUKOHQRZ-YOEHRIQHSA-N 1 0 372.431 3.162 10 70 FGIERO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160522616 495983173 /nfs/dbraw/zinc/98/31/73/495983173.db2.gz BMIWWCUZMZEYLL-KRWDZBQOSA-N 1 0 366.461 3.471 10 70 FGIERO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160522756 495983662 /nfs/dbraw/zinc/98/36/62/495983662.db2.gz BMIWWCUZMZEYLL-QGZVFWFLSA-N 1 0 366.461 3.471 10 70 FGIERO CC[C@H]1CN(CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000159928563 495842196 /nfs/dbraw/zinc/84/21/96/495842196.db2.gz BMQHXDGWHUTPCB-INIZCTEOSA-N 1 0 360.420 3.170 10 70 FGIERO CC[C@@H]1CN(CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000159928442 495842326 /nfs/dbraw/zinc/84/23/26/495842326.db2.gz BMQHXDGWHUTPCB-MRXNPFEDSA-N 1 0 360.420 3.170 10 70 FGIERO COc1cc(-c2ccccc2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160123940 495890005 /nfs/dbraw/zinc/89/00/05/495890005.db2.gz UCJFJUCRAVDQCK-INIZCTEOSA-N 1 0 374.506 3.000 10 70 FGIERO [NH3+]C[C@@H]1CCCN1C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000160215529 495911917 /nfs/dbraw/zinc/91/19/17/495911917.db2.gz XLXHNEPOYLAVSB-SFHVURJKSA-N 1 0 358.869 3.411 10 70 FGIERO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160392375 495952422 /nfs/dbraw/zinc/95/24/22/495952422.db2.gz IXJJLKZUKOHQRZ-RHSMWYFYSA-N 1 0 372.431 3.162 10 70 FGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000160530681 495984727 /nfs/dbraw/zinc/98/47/27/495984727.db2.gz KJKCOSHHXKMCML-KFKAGJAMSA-N 1 0 357.498 3.131 10 70 FGIERO CC[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000161224949 496131302 /nfs/dbraw/zinc/13/13/02/496131302.db2.gz RDGVDSAUKGMOAH-HIFRSBDPSA-N 1 0 353.304 3.134 10 70 FGIERO