smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2oc(N3CCN(CCC[NH+]4CCCCC4)CC3)nc2c1 ZINC000160944425 239058631 /nfs/dbraw/zinc/05/86/31/239058631.db2.gz WQXIMYUEKAVDKZ-UHFFFAOYSA-N 1 0 328.460 2.826 10 70 EFIERO COC(=O)c1ccc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000160800558 201413169 /nfs/dbraw/zinc/41/31/69/201413169.db2.gz YBYJXOHUCNIEPE-LJQANCHMSA-N 1 0 340.427 2.730 10 70 EFIERO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159862646 206266877 /nfs/dbraw/zinc/26/68/77/206266877.db2.gz IGYAFWZOHYMLSO-MRXNPFEDSA-N 1 0 346.471 2.849 10 70 EFIERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(Cl)c2F)CC1 ZINC000159870698 206268718 /nfs/dbraw/zinc/26/87/18/206268718.db2.gz SOIAVDAXNNQOTD-LBPRGKRZSA-N 1 0 342.842 2.644 10 70 EFIERO Cc1nc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000159992761 206274938 /nfs/dbraw/zinc/27/49/38/206274938.db2.gz UVPKXDQCWKXYGE-HNNXBMFYSA-N 1 0 331.847 2.946 10 70 EFIERO CCC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160077661 206277877 /nfs/dbraw/zinc/27/78/77/206277877.db2.gz OEOJKRUBBCYORH-DOTOQJQBSA-N 1 0 336.476 2.902 10 70 EFIERO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160269500 206287709 /nfs/dbraw/zinc/28/77/09/206287709.db2.gz JXNXEDBLCNOXSR-SJLPKXTDSA-N 1 0 345.443 2.556 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160238123 206286257 /nfs/dbraw/zinc/28/62/57/206286257.db2.gz GOFZYTRMWZRJDJ-HIFRSBDPSA-N 1 0 325.478 2.561 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000160526641 206301833 /nfs/dbraw/zinc/30/18/33/206301833.db2.gz LYCBGOBIWKCEND-NSHDSACASA-N 1 0 331.243 2.570 10 70 EFIERO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160631547 206306718 /nfs/dbraw/zinc/30/67/18/206306718.db2.gz UOEUTSPMMRYXKZ-FBBABVLZSA-N 1 0 344.499 2.969 10 70 EFIERO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160675495 206309112 /nfs/dbraw/zinc/30/91/12/206309112.db2.gz GRQLYMHBAVYHNX-WRWLIDTKSA-N 1 0 328.456 2.591 10 70 EFIERO COc1ccc(-c2n[nH]cc2C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161152693 206331518 /nfs/dbraw/zinc/33/15/18/206331518.db2.gz JKRJRAVEPKRSEI-GUYCJALGSA-N 1 0 342.443 2.544 10 70 EFIERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161003141 206321955 /nfs/dbraw/zinc/32/19/55/206321955.db2.gz QCXNUFPFIPXVAY-DLBZAZTESA-N 1 0 345.487 2.596 10 70 EFIERO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)cn1 ZINC000160238924 544803580 /nfs/dbraw/zinc/80/35/80/544803580.db2.gz WLNSMVYWKTVPGF-QGZVFWFLSA-N 1 0 341.459 2.989 10 70 EFIERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159611681 544797412 /nfs/dbraw/zinc/79/74/12/544797412.db2.gz DGXQNQJIYSOBGZ-FQEVSTJZSA-N 1 0 335.451 3.000 10 70 EFIERO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000159667346 544798634 /nfs/dbraw/zinc/79/86/34/544798634.db2.gz ZURJNSSJROJSKI-GJZGRUSLSA-N 1 0 335.492 2.941 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000159878517 310692569 /nfs/dbraw/zinc/69/25/69/310692569.db2.gz PLKJGSLQRVVCED-ZDUSSCGKSA-N 1 0 336.480 2.816 10 70 EFIERO CCc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1-c1ccccc1 ZINC000161124684 473209391 /nfs/dbraw/zinc/20/93/91/473209391.db2.gz GONWNXALPJZJEP-YJBOKZPZSA-N 1 0 340.471 2.893 10 70 EFIERO CCC[C@H](C(=O)Nc1ccc(I)cc1)[NH+](C)C ZINC000161166218 473213015 /nfs/dbraw/zinc/21/30/15/473213015.db2.gz QOOSDJXINKCTPH-GFCCVEGCSA-N 1 0 346.212 2.960 10 70 EFIERO Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(C[NH3+])o3)[C@@H](C)CO2)c1 ZINC000161274196 473222437 /nfs/dbraw/zinc/22/24/37/473222437.db2.gz FBDGAADMLYGWSJ-KSSFIOAISA-N 1 0 328.412 2.957 10 70 EFIERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000161324928 473226867 /nfs/dbraw/zinc/22/68/67/473226867.db2.gz CSADWQYZBXRLHK-OAHLLOKOSA-N 1 0 345.487 2.534 10 70 EFIERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000161322375 473226920 /nfs/dbraw/zinc/22/69/20/473226920.db2.gz YRZOXXTVDVKYMK-NSHDSACASA-N 1 0 341.249 2.529 10 70 EFIERO CCCCc1noc([C@@H](C)N2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161336493 473227215 /nfs/dbraw/zinc/22/72/15/473227215.db2.gz RMDBPYGVCDHSAT-KGLIPLIRSA-N 1 0 332.452 2.964 10 70 EFIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000161336214 473227313 /nfs/dbraw/zinc/22/73/13/473227313.db2.gz AVPUOWDEHNPQDR-MRXNPFEDSA-N 1 0 341.459 2.733 10 70 EFIERO CCCCc1noc([C@H](C)N2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161336621 473227569 /nfs/dbraw/zinc/22/75/69/473227569.db2.gz RMDBPYGVCDHSAT-KBPBESRZSA-N 1 0 332.452 2.964 10 70 EFIERO Cc1nnc(-c2cccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)c2)o1 ZINC000161341358 473228650 /nfs/dbraw/zinc/22/86/50/473228650.db2.gz DPZNUXRHHKVHCL-BLLLJJGKSA-N 1 0 328.416 2.504 10 70 EFIERO COc1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1F ZINC000161417710 473233609 /nfs/dbraw/zinc/23/36/09/473233609.db2.gz WULXHQUNMJROFY-UHFFFAOYSA-N 1 0 325.343 2.950 10 70 EFIERO CN(CC[NH+]1CCC(Cc2nccn2C)CC1)Cc1ccc(F)cc1 ZINC000159433655 473028390 /nfs/dbraw/zinc/02/83/90/473028390.db2.gz QZXQODHFRPQOKL-UHFFFAOYSA-N 1 0 344.478 2.946 10 70 EFIERO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(SC)cc1OC ZINC000159521058 473035353 /nfs/dbraw/zinc/03/53/53/473035353.db2.gz AQHXPIWNFWBAHO-NWDGAFQWSA-N 1 0 338.473 2.512 10 70 EFIERO CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159535405 473037365 /nfs/dbraw/zinc/03/73/65/473037365.db2.gz SDSYUPMPMQRYCX-AAEUAGOBSA-N 1 0 340.851 2.833 10 70 EFIERO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCN1C1CCOCC1 ZINC000159551762 473039141 /nfs/dbraw/zinc/03/91/41/473039141.db2.gz GUAHCXJKWIWYFG-QZTJIDSGSA-N 1 0 332.419 2.573 10 70 EFIERO Cc1noc(Cl)c1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000159599463 473042612 /nfs/dbraw/zinc/04/26/12/473042612.db2.gz SEITVMCZBDHZRR-UHFFFAOYSA-N 1 0 327.856 2.950 10 70 EFIERO COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159637285 473046914 /nfs/dbraw/zinc/04/69/14/473046914.db2.gz GTNSKPOFDRHTOP-QAPCUYQASA-N 1 0 333.476 2.893 10 70 EFIERO CCCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159632940 473047282 /nfs/dbraw/zinc/04/72/82/473047282.db2.gz SNIFTPLNRJBCEP-GOEBONIOSA-N 1 0 334.460 2.960 10 70 EFIERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000159716118 473053782 /nfs/dbraw/zinc/05/37/82/473053782.db2.gz KMZLKENHVCBSKN-UHFFFAOYSA-N 1 0 340.427 2.543 10 70 EFIERO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000159924851 473072942 /nfs/dbraw/zinc/07/29/42/473072942.db2.gz CZZNZQZCRYKRMK-HOTGVXAUSA-N 1 0 343.475 2.952 10 70 EFIERO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159991135 473079027 /nfs/dbraw/zinc/07/90/27/473079027.db2.gz HTNQIFYZWKFNSD-AWEZNQCLSA-N 1 0 340.508 2.933 10 70 EFIERO CC(C)N(C[C@H](C)O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000160035688 473083023 /nfs/dbraw/zinc/08/30/23/473083023.db2.gz GQFDKUYOEDUAAL-INIZCTEOSA-N 1 0 335.492 2.828 10 70 EFIERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160156034 473092504 /nfs/dbraw/zinc/09/25/04/473092504.db2.gz OAYIWXNVALSNSZ-UFYCRDLUSA-N 1 0 344.499 2.877 10 70 EFIERO COc1ccc(-c2ncc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)s2)cc1 ZINC000160214550 473096710 /nfs/dbraw/zinc/09/67/10/473096710.db2.gz RYVZBYKMHWKXTQ-OKILXGFUSA-N 1 0 343.452 2.785 10 70 EFIERO C[NH+](C)CC[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)C(C)(C)C ZINC000160221586 473098073 /nfs/dbraw/zinc/09/80/73/473098073.db2.gz ZUPPTRSFKNYBRJ-MRXNPFEDSA-N 1 0 335.496 2.665 10 70 EFIERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000160236845 473098824 /nfs/dbraw/zinc/09/88/24/473098824.db2.gz RJLDZYGHCKJZED-SFHVURJKSA-N 1 0 346.450 2.831 10 70 EFIERO CC1(C)CCC(CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000160260936 473102618 /nfs/dbraw/zinc/10/26/18/473102618.db2.gz HUFQGVHRHANJNA-UHFFFAOYSA-N 1 0 325.497 2.614 10 70 EFIERO CCCC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)CC1 ZINC000160383296 473114744 /nfs/dbraw/zinc/11/47/44/473114744.db2.gz GGCNKRCFPVYAIC-SFHVURJKSA-N 1 0 349.475 2.935 10 70 EFIERO COCCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC000160388977 473115951 /nfs/dbraw/zinc/11/59/51/473115951.db2.gz CJFLZOUWUQDWDG-MRXNPFEDSA-N 1 0 325.497 2.613 10 70 EFIERO O=C(NCCCC[NH+]1CCCC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000160387991 473116047 /nfs/dbraw/zinc/11/60/47/473116047.db2.gz SJFBQZQUDNKZAZ-MRXNPFEDSA-N 1 0 337.489 2.707 10 70 EFIERO Cc1nc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)oc1-c1ccccc1 ZINC000160408703 473119633 /nfs/dbraw/zinc/11/96/33/473119633.db2.gz RNONBYKBADSGTP-CALCHBBNSA-N 1 0 339.439 2.936 10 70 EFIERO O=C(COc1ccc(Cl)c2cccnc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160417568 473121116 /nfs/dbraw/zinc/12/11/16/473121116.db2.gz NDYFMVUDLSVXIY-BETUJISGSA-N 1 0 345.830 2.620 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000160473891 473130379 /nfs/dbraw/zinc/13/03/79/473130379.db2.gz GRCJHNPFXOVWKA-OAHLLOKOSA-N 1 0 344.434 2.862 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1OCCc2ccccc21 ZINC000160499778 473133995 /nfs/dbraw/zinc/13/39/95/473133995.db2.gz CJWVVRXLEOERKL-MJGOQNOKSA-N 1 0 330.472 2.927 10 70 EFIERO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1)C(C)C ZINC000160522973 473137172 /nfs/dbraw/zinc/13/71/72/473137172.db2.gz NXFXBKGYGLEMIY-YJBOKZPZSA-N 1 0 345.487 2.643 10 70 EFIERO O=C(c1cc(-c2cccc(Cl)c2)on1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160520515 473137188 /nfs/dbraw/zinc/13/71/88/473137188.db2.gz TVXHMSQLXMHASN-OKILXGFUSA-N 1 0 331.803 2.962 10 70 EFIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160576210 473144329 /nfs/dbraw/zinc/14/43/29/473144329.db2.gz KAPLWWNZYPSALM-CQSZACIVSA-N 1 0 347.434 2.557 10 70 EFIERO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160575315 473145379 /nfs/dbraw/zinc/14/53/79/473145379.db2.gz HWKFIYBKYZWODO-ZDUSSCGKSA-N 1 0 330.350 2.785 10 70 EFIERO Cc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)s2)o1 ZINC000160606595 473150429 /nfs/dbraw/zinc/15/04/29/473150429.db2.gz ZXVGDAMSCVGWEZ-BETUJISGSA-N 1 0 331.441 2.986 10 70 EFIERO COCc1nc(C)c(C(=O)NCC[N@H+](C)C2CCCCC2)s1 ZINC000160656609 473157651 /nfs/dbraw/zinc/15/76/51/473157651.db2.gz FPDPKUQPKYACLI-UHFFFAOYSA-N 1 0 325.478 2.592 10 70 EFIERO O=C(NCC1CC[NH+](CCO)CC1)c1cc(F)c(Cl)cc1Cl ZINC000160715338 473165757 /nfs/dbraw/zinc/16/57/57/473165757.db2.gz NVIXULFMHFOFEN-UHFFFAOYSA-N 1 0 349.233 2.567 10 70 EFIERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](C)C3)cn2)CC1 ZINC000160759899 473172840 /nfs/dbraw/zinc/17/28/40/473172840.db2.gz PIVFMQRKTPUJTN-WMZOPIPTSA-N 1 0 344.503 2.666 10 70 EFIERO CC(C)c1noc(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)n1 ZINC000160768944 473173167 /nfs/dbraw/zinc/17/31/67/473173167.db2.gz QVDBSHPIRLDJLT-UHFFFAOYSA-N 1 0 334.386 2.742 10 70 EFIERO Cc1ccc([C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CCO2)o1 ZINC000160827071 473180079 /nfs/dbraw/zinc/18/00/79/473180079.db2.gz WTJVMIOWGICRDJ-FUHWJXTLSA-N 1 0 349.475 2.791 10 70 EFIERO Cc1noc(C)c1[C@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160923216 473191758 /nfs/dbraw/zinc/19/17/58/473191758.db2.gz HFUUNERHCOCDCI-UWTIGNOOSA-N 1 0 336.480 2.815 10 70 EFIERO CCCOc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160941702 473193625 /nfs/dbraw/zinc/19/36/25/473193625.db2.gz HEHHFFDCDBBMDR-HOTGVXAUSA-N 1 0 332.444 2.824 10 70 EFIERO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160964903 473194776 /nfs/dbraw/zinc/19/47/76/473194776.db2.gz SFRFUNTXGGASDB-GUDVDZBRSA-N 1 0 343.471 2.786 10 70 EFIERO Cc1cccc(N2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)n1 ZINC000161028937 473200616 /nfs/dbraw/zinc/20/06/16/473200616.db2.gz GIVOLFJNNYBNSI-UHFFFAOYSA-N 1 0 331.460 2.634 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COc1ccc(F)cc1 ZINC000159817918 528916608 /nfs/dbraw/zinc/91/66/08/528916608.db2.gz VTHWJZGAQHMWTC-OAHLLOKOSA-N 1 0 338.448 2.975 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000159855629 528916702 /nfs/dbraw/zinc/91/67/02/528916702.db2.gz MXGJYEZFRUCOGQ-NSHDSACASA-N 1 0 335.395 2.559 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(OC)cc2Cl)CC1 ZINC000159989150 529025782 /nfs/dbraw/zinc/02/57/82/529025782.db2.gz QGVXPZAYNHEOOV-UHFFFAOYSA-N 1 0 339.867 2.628 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCc2ccc(F)cc2CSC)CC1 ZINC000159964314 529027547 /nfs/dbraw/zinc/02/75/47/529027547.db2.gz LRVAAOQXLCQPGL-UHFFFAOYSA-N 1 0 339.480 2.926 10 70 EFIERO CCO[C@@H](C)c1nc(CN2CC[NH+](C[C@](C)(O)CC)CC2)cs1 ZINC000161283186 529102892 /nfs/dbraw/zinc/10/28/92/529102892.db2.gz QMPOHRBJCVPMIK-WMLDXEAASA-N 1 0 341.521 2.519 10 70 EFIERO CC[C@](C)(O)C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000161078883 529372730 /nfs/dbraw/zinc/37/27/30/529372730.db2.gz UMHMXJZRHHXVTG-ZFWWWQNUSA-N 1 0 335.366 2.538 10 70 EFIERO CCc1cc(C)c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)o1 ZINC000161427801 529525047 /nfs/dbraw/zinc/52/50/47/529525047.db2.gz XWOKTZQXFPQAFU-UHFFFAOYSA-N 1 0 329.400 2.563 10 70 EFIERO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000160235462 284073850 /nfs/dbraw/zinc/07/38/50/284073850.db2.gz DHJHIIKMTNKTHF-KURKYZTESA-N 1 0 335.492 2.604 10 70 EFIERO COc1cccc(N2CCC[C@H]([NH2+]C3CCC(NC(C)=O)CC3)C2)c1 ZINC000161507074 533577727 /nfs/dbraw/zinc/57/77/27/533577727.db2.gz MBJYWQZMISYMIS-ABHNRTSZSA-N 1 0 345.487 2.701 10 70 EFIERO O=C1CCCN1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000159532821 225234949 /nfs/dbraw/zinc/23/49/49/225234949.db2.gz XMNRQNHQRAAIPL-UHFFFAOYSA-N 1 0 349.906 2.907 10 70 EFIERO CO[C@H]1CCN(Cc2cc(F)cc(Br)c2)[C@H](C[NH3+])C1 ZINC000161177865 225567766 /nfs/dbraw/zinc/56/77/66/225567766.db2.gz ZKDFNHFOWLCFAR-KBPBESRZSA-N 1 0 331.229 2.526 10 70 EFIERO CCn1cnnc1[C@H]1CCC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000161303922 544812267 /nfs/dbraw/zinc/81/22/67/544812267.db2.gz RALSSMDRWRDLCQ-INIZCTEOSA-N 1 0 344.459 2.955 10 70 EFIERO C[C@H](c1cccc(F)c1)N1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000159468559 544796872 /nfs/dbraw/zinc/79/68/72/544796872.db2.gz QDWAEEQVXGFBRS-APWZRJJASA-N 1 0 336.451 2.700 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)Cc1cc(=O)n2ccccc2n1 ZINC000159770856 544798619 /nfs/dbraw/zinc/79/86/19/544798619.db2.gz IHTWSJKJOWYLFC-UHFFFAOYSA-N 1 0 328.441 2.604 10 70 EFIERO O=C(NCc1cccc(-c2ccccn2)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000160369774 273022003 /nfs/dbraw/zinc/02/20/03/273022003.db2.gz RCIVRAKJUBACLT-IBGZPJMESA-N 1 0 348.450 2.904 10 70 EFIERO CCN1CC[NH+]([C@@H]2CCN(c3ccnc4c(F)cc(F)cc34)C2)CC1 ZINC000159370629 276198982 /nfs/dbraw/zinc/19/89/82/276198982.db2.gz IDXGBNUAUHVEHL-OAHLLOKOSA-N 1 0 346.425 2.729 10 70 EFIERO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)oc2c1c(C)ccc2C ZINC000159965781 280215478 /nfs/dbraw/zinc/21/54/78/280215478.db2.gz DLRVQDNQIZRVRL-INIZCTEOSA-N 1 0 344.455 2.935 10 70 EFIERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000159497768 310687969 /nfs/dbraw/zinc/68/79/69/310687969.db2.gz MYAPMGCBRFDUES-KRWDZBQOSA-N 1 0 347.478 2.907 10 70 EFIERO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159861677 310692181 /nfs/dbraw/zinc/69/21/81/310692181.db2.gz DRTPQBAOJLWNPV-BEFAXECRSA-N 1 0 347.422 2.723 10 70 EFIERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC1CCCCC1 ZINC000159879081 310692415 /nfs/dbraw/zinc/69/24/15/310692415.db2.gz PBKMTESCKXDIJL-GJZGRUSLSA-N 1 0 341.459 2.755 10 70 EFIERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccccc1 ZINC000159948241 310693196 /nfs/dbraw/zinc/69/31/96/310693196.db2.gz HRIGVXCTMUUUED-JKSUJKDBSA-N 1 0 349.438 2.623 10 70 EFIERO COc1cccc2c1CC[C@H]2NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000160072667 310694509 /nfs/dbraw/zinc/69/45/09/310694509.db2.gz KKSOWXZZGXOUAE-RTBURBONSA-N 1 0 338.451 2.972 10 70 EFIERO CCc1cccc(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000160910024 310703774 /nfs/dbraw/zinc/70/37/74/310703774.db2.gz YVNSPAZFSULZMW-UHFFFAOYSA-N 1 0 332.488 2.751 10 70 EFIERO CCC[C@@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[NH+](C)C ZINC000161257166 310707501 /nfs/dbraw/zinc/70/75/01/310707501.db2.gz LITVLRXXIFLVPH-AWEZNQCLSA-N 1 0 343.924 2.776 10 70 EFIERO CC[NH2+]CC1CCN(C(=O)Cc2c(C)nn(CC(C)C)c2C)CC1 ZINC000161084487 473205587 /nfs/dbraw/zinc/20/55/87/473205587.db2.gz FFWMKDPYRLNDJN-UHFFFAOYSA-N 1 0 334.508 2.547 10 70 EFIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(Nc3cnccn3)c2)[C@@H](C)C1 ZINC000161119394 473209224 /nfs/dbraw/zinc/20/92/24/473209224.db2.gz ADQPUAUMLOLTOP-YOEHRIQHSA-N 1 0 339.443 2.679 10 70 EFIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Nc3cnccn3)c2)C1 ZINC000161119262 473209655 /nfs/dbraw/zinc/20/96/55/473209655.db2.gz ADQPUAUMLOLTOP-PBHICJAKSA-N 1 0 339.443 2.679 10 70 EFIERO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000161146192 473212089 /nfs/dbraw/zinc/21/20/89/473212089.db2.gz NNRCZHXDELNIEV-UHFFFAOYSA-N 1 0 333.407 2.834 10 70 EFIERO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161158155 473213437 /nfs/dbraw/zinc/21/34/37/473213437.db2.gz ZTWCTFUQJUJMQG-RDTXWAMCSA-N 1 0 328.460 2.848 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000161235846 473220162 /nfs/dbraw/zinc/22/01/62/473220162.db2.gz RPTPDTRUCZQHRO-UHFFFAOYSA-N 1 0 347.385 2.687 10 70 EFIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000161328480 473226718 /nfs/dbraw/zinc/22/67/18/473226718.db2.gz KAKRXYSLHONERJ-HNNXBMFYSA-N 1 0 330.432 2.565 10 70 EFIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000161343035 473228748 /nfs/dbraw/zinc/22/87/48/473228748.db2.gz QELCSCNKDILIRC-KDOFPFPSSA-N 1 0 339.439 2.704 10 70 EFIERO CC(=O)c1ccc(OCCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000161386783 473231900 /nfs/dbraw/zinc/23/19/00/473231900.db2.gz JKIRDSRMBKSEFR-BEFAXECRSA-N 1 0 346.471 2.893 10 70 EFIERO CCn1cnnc1[C@@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000161422462 473234290 /nfs/dbraw/zinc/23/42/90/473234290.db2.gz ALVUNELDVLFGOB-OAHLLOKOSA-N 1 0 338.415 2.728 10 70 EFIERO CN(C(=O)CSc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161417815 473234832 /nfs/dbraw/zinc/23/48/32/473234832.db2.gz DAUQIAMRXCMGTF-FOSCPWQOSA-N 1 0 326.412 2.798 10 70 EFIERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)[NH+](C)C ZINC000161470901 473238198 /nfs/dbraw/zinc/23/81/98/473238198.db2.gz MDKHDPXEGLNRQP-DYVFJYSZSA-N 1 0 331.460 2.943 10 70 EFIERO CCc1nc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000159398121 473024206 /nfs/dbraw/zinc/02/42/06/473024206.db2.gz ANOKEPXVUIBYBN-HNNXBMFYSA-N 1 0 336.505 2.865 10 70 EFIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000159526082 473035944 /nfs/dbraw/zinc/03/59/44/473035944.db2.gz LCIRXDLTTKEBGA-CXAGYDPISA-N 1 0 327.403 2.974 10 70 EFIERO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(SC)cc1OC ZINC000159520913 473036040 /nfs/dbraw/zinc/03/60/40/473036040.db2.gz AQHXPIWNFWBAHO-VXGBXAGGSA-N 1 0 338.473 2.512 10 70 EFIERO Cn1cc([C@@H](CNc2ccnc3c(F)cc(F)cc23)[NH+](C)C)cn1 ZINC000159544327 473036842 /nfs/dbraw/zinc/03/68/42/473036842.db2.gz WFKCXNQTXVDNCY-MRXNPFEDSA-N 1 0 331.370 2.961 10 70 EFIERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159615004 473044005 /nfs/dbraw/zinc/04/40/05/473044005.db2.gz HLMNWIWYOOMDKF-MRXNPFEDSA-N 1 0 337.508 2.709 10 70 EFIERO O=C(c1cccc(OCc2cccnc2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159653305 473048922 /nfs/dbraw/zinc/04/89/22/473048922.db2.gz BDRILEFCTVMWMK-HDICACEKSA-N 1 0 337.423 2.627 10 70 EFIERO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000159711075 473053682 /nfs/dbraw/zinc/05/36/82/473053682.db2.gz LCBCNTRHRHROSU-AWEZNQCLSA-N 1 0 347.459 2.992 10 70 EFIERO O=C(c1cccnc1SC(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159719624 473054656 /nfs/dbraw/zinc/05/46/56/473054656.db2.gz XOGPSDOJVSYNQN-AOOOYVTPSA-N 1 0 331.363 2.660 10 70 EFIERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159754473 473057324 /nfs/dbraw/zinc/05/73/24/473057324.db2.gz QZNCVEDGKKQEOI-GFCCVEGCSA-N 1 0 345.365 2.627 10 70 EFIERO Clc1ccc(C2=NO[C@H](C[NH+]3CCC(n4cncn4)CC3)C2)cc1 ZINC000159787852 473060534 /nfs/dbraw/zinc/06/05/34/473060534.db2.gz NMRRPXQIWGGXPM-INIZCTEOSA-N 1 0 345.834 2.762 10 70 EFIERO Clc1ccc(C2=NO[C@@H](C[NH+]3CCC(n4cncn4)CC3)C2)cc1 ZINC000159788016 473061233 /nfs/dbraw/zinc/06/12/33/473061233.db2.gz NMRRPXQIWGGXPM-MRXNPFEDSA-N 1 0 345.834 2.762 10 70 EFIERO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159824241 473063257 /nfs/dbraw/zinc/06/32/57/473063257.db2.gz BCORLBDVNJVHFO-HIRMHNASSA-N 1 0 330.472 2.836 10 70 EFIERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccccc1 ZINC000159828233 473064109 /nfs/dbraw/zinc/06/41/09/473064109.db2.gz YKEIMNGCFWUDEX-GJZGRUSLSA-N 1 0 335.411 2.945 10 70 EFIERO C[C@@H](O)C[N@@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159912339 473071272 /nfs/dbraw/zinc/07/12/72/473071272.db2.gz SWUHFNVGKJIJPQ-UONOGXRCSA-N 1 0 346.393 2.515 10 70 EFIERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000159910322 473071303 /nfs/dbraw/zinc/07/13/03/473071303.db2.gz IYDBHUZXNNXJJN-JKSUJKDBSA-N 1 0 348.487 2.529 10 70 EFIERO CNC(=O)CN1CCC([NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000159973185 473077260 /nfs/dbraw/zinc/07/72/60/473077260.db2.gz WSZMRNFUQPSTBA-SDNWHVSQSA-N 1 0 335.879 2.543 10 70 EFIERO C[C@@H](N1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000160022497 473082169 /nfs/dbraw/zinc/08/21/69/473082169.db2.gz CQBPYOIPZQJWPP-CQSZACIVSA-N 1 0 347.400 2.826 10 70 EFIERO O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160158323 473092731 /nfs/dbraw/zinc/09/27/31/473092731.db2.gz ZASWJYGJYWSBPK-QIPHDZALSA-N 1 0 334.485 2.937 10 70 EFIERO CC[NH+](CC)[C@@H](CNC(=O)N(C[C@@H](C)O)C(C)C)c1ccsc1 ZINC000160221143 473097861 /nfs/dbraw/zinc/09/78/61/473097861.db2.gz JNZYBUCSBKLJNT-ZBFHGGJFSA-N 1 0 341.521 2.932 10 70 EFIERO CC[NH+](CC)[C@H](CNC(=O)N(C[C@H](C)O)C(C)C)c1ccsc1 ZINC000160221469 473097906 /nfs/dbraw/zinc/09/79/06/473097906.db2.gz JNZYBUCSBKLJNT-GOEBONIOSA-N 1 0 341.521 2.932 10 70 EFIERO O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160217684 473098519 /nfs/dbraw/zinc/09/85/19/473098519.db2.gz PLQPMCFRAJJSFX-IYBDPMFKSA-N 1 0 338.411 2.581 10 70 EFIERO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160306739 473107065 /nfs/dbraw/zinc/10/70/65/473107065.db2.gz OKPNPSGSYUQLPH-RYUDHWBXSA-N 1 0 340.880 2.685 10 70 EFIERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000160306938 473107794 /nfs/dbraw/zinc/10/77/94/473107794.db2.gz ZXPUJWJZBNSBQA-GOEBONIOSA-N 1 0 337.489 2.705 10 70 EFIERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000160328441 473109088 /nfs/dbraw/zinc/10/90/88/473109088.db2.gz LNHIHMDHLCIAML-WCIQWLHISA-N 1 0 342.483 2.674 10 70 EFIERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000160387289 473115295 /nfs/dbraw/zinc/11/52/95/473115295.db2.gz RGTXIYKELIUZTL-SJORKVTESA-N 1 0 349.475 2.753 10 70 EFIERO CC(C)N(C[C@@H](C)O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160403834 473118897 /nfs/dbraw/zinc/11/88/97/473118897.db2.gz YKWRAAMKZCIPCA-IXDOHACOSA-N 1 0 327.513 2.545 10 70 EFIERO CC[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1Cl ZINC000160436488 473123782 /nfs/dbraw/zinc/12/37/82/473123782.db2.gz VSBWGRFGKOPVMN-CYBMUJFWSA-N 1 0 325.840 2.630 10 70 EFIERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160439686 473126335 /nfs/dbraw/zinc/12/63/35/473126335.db2.gz IEWINFMAMJYUCN-MRXNPFEDSA-N 1 0 333.480 2.563 10 70 EFIERO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160540513 473139026 /nfs/dbraw/zinc/13/90/26/473139026.db2.gz GMLSEOOENSDTIQ-HOCLYGCPSA-N 1 0 330.428 2.701 10 70 EFIERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160568324 473143569 /nfs/dbraw/zinc/14/35/69/473143569.db2.gz JGIJZEWYWLSIKU-QRTARXTBSA-N 1 0 340.489 2.650 10 70 EFIERO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cncc(F)c1 ZINC000160619169 473152290 /nfs/dbraw/zinc/15/22/90/473152290.db2.gz PWNJJCJTRHXFJU-OAHLLOKOSA-N 1 0 329.419 2.904 10 70 EFIERO C[N@H+](CCNC(=O)c1ccnc(OCC(F)F)c1)C1CCCCC1 ZINC000160654961 473156963 /nfs/dbraw/zinc/15/69/63/473156963.db2.gz AKTVNOVVRGEBCA-UHFFFAOYSA-N 1 0 341.402 2.720 10 70 EFIERO O=C(CCc1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160684432 473160037 /nfs/dbraw/zinc/16/00/37/473160037.db2.gz JWJYLYDLYSIKST-GASCZTMLSA-N 1 0 337.261 2.735 10 70 EFIERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000160692677 473162471 /nfs/dbraw/zinc/16/24/71/473162471.db2.gz BLYSLINOOFSAJA-GJZGRUSLSA-N 1 0 328.250 2.983 10 70 EFIERO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160699172 473163774 /nfs/dbraw/zinc/16/37/74/473163774.db2.gz XUFMVLBHYFPFBO-YLJYHZDGSA-N 1 0 348.462 2.801 10 70 EFIERO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@H](C)CC3)nc(N)c21 ZINC000160718620 473165472 /nfs/dbraw/zinc/16/54/72/473165472.db2.gz VUJHBCFVZRHFLX-NSHDSACASA-N 1 0 346.431 2.912 10 70 EFIERO CCCN(CCc1ccccn1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160752929 473170665 /nfs/dbraw/zinc/17/06/65/473170665.db2.gz BIDHLMGHKUEXIX-SFHVURJKSA-N 1 0 330.476 2.530 10 70 EFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000160812515 473178545 /nfs/dbraw/zinc/17/85/45/473178545.db2.gz YVIVIZJIJPKFRQ-JQHSSLGASA-N 1 0 335.492 2.774 10 70 EFIERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160816266 473178766 /nfs/dbraw/zinc/17/87/66/473178766.db2.gz DKSVBCGAVNQXLR-HOTGVXAUSA-N 1 0 339.505 2.807 10 70 EFIERO CCC[NH+]1CCC(NCc2ccc(Cn3ccccc3=O)cc2)CC1 ZINC000161048347 473202119 /nfs/dbraw/zinc/20/21/19/473202119.db2.gz QWQGOMLLSJPHGP-UHFFFAOYSA-N 1 0 339.483 2.861 10 70 EFIERO CC[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CCOC1 ZINC000161074151 473204652 /nfs/dbraw/zinc/20/46/52/473204652.db2.gz JCHMYIXTTZYXIF-RTBURBONSA-N 1 0 326.440 2.801 10 70 EFIERO CCOc1c(Cl)cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000159830333 520595554 /nfs/dbraw/zinc/59/55/54/520595554.db2.gz AGTZVBFOZPEWRO-BETUJISGSA-N 1 0 338.835 2.714 10 70 EFIERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000161325077 521709949 /nfs/dbraw/zinc/70/99/49/521709949.db2.gz CSADWQYZBXRLHK-HNNXBMFYSA-N 1 0 345.487 2.534 10 70 EFIERO [NH3+]CCCNC(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000160107549 534611987 /nfs/dbraw/zinc/61/19/87/534611987.db2.gz XVTJCLINGWBPGI-UHFFFAOYSA-N 1 0 332.831 2.927 10 70 EFIERO Clc1ccc(C2=NO[C@H](CN3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000159763585 534638871 /nfs/dbraw/zinc/63/88/71/534638871.db2.gz CAOXBZJUILMNNQ-KRWDZBQOSA-N 1 0 333.863 2.861 10 70 EFIERO O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160158179 527156068 /nfs/dbraw/zinc/15/60/68/527156068.db2.gz ZASWJYGJYWSBPK-FYXHJSOBSA-N 1 0 334.485 2.937 10 70 EFIERO [NH3+]Cc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000160937294 527252356 /nfs/dbraw/zinc/25/23/56/527252356.db2.gz VYYJWQZIBRIJMU-UHFFFAOYSA-N 1 0 342.786 2.779 10 70 EFIERO CC(C)=CCOc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160157255 527448182 /nfs/dbraw/zinc/44/81/82/527448182.db2.gz SEVYFZUZRYOPSJ-GOSISDBHSA-N 1 0 346.471 2.608 10 70 EFIERO CCO[C@H](C)c1nc(CN2CC[NH+](C[C@](C)(O)CC)CC2)cs1 ZINC000161282980 528010663 /nfs/dbraw/zinc/01/06/63/528010663.db2.gz QMPOHRBJCVPMIK-RHSMWYFYSA-N 1 0 341.521 2.519 10 70 EFIERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160156304 528136550 /nfs/dbraw/zinc/13/65/50/528136550.db2.gz OAYIWXNVALSNSZ-SLFFLAALSA-N 1 0 344.499 2.877 10 70 EFIERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000159814252 528155653 /nfs/dbraw/zinc/15/56/53/528155653.db2.gz OXSURRLKCNABCA-RISCZKNCSA-N 1 0 340.265 2.904 10 70 EFIERO CC(C)Sc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160139851 528323989 /nfs/dbraw/zinc/32/39/89/528323989.db2.gz VFWXLMZYQMYZJV-INIZCTEOSA-N 1 0 336.501 2.764 10 70 EFIERO CCCc1c(C(=O)NCCC[NH3+])nnn1-c1ccc(C(C)(C)C)cc1 ZINC000160018750 528554989 /nfs/dbraw/zinc/55/49/89/528554989.db2.gz CNTCTUBEGYNVDA-UHFFFAOYSA-N 1 0 343.475 2.596 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)NCc2cc(C)cc(OC)c2)CC1 ZINC000159877104 528963125 /nfs/dbraw/zinc/96/31/25/528963125.db2.gz CDWQCQNDALETHM-UHFFFAOYSA-N 1 0 333.476 2.925 10 70 EFIERO CC(C)SCC[N@@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000218229335 535104191 /nfs/dbraw/zinc/10/41/91/535104191.db2.gz MFCLIKMJUPXLTP-UHFFFAOYSA-N 1 0 344.484 2.675 10 70 EFIERO Cc1ccn(-c2ccccc2CNC(=O)N(CC[NH+](C)C)C(C)C)n1 ZINC000159750236 239036572 /nfs/dbraw/zinc/03/65/72/239036572.db2.gz YCKIXKAPLHCOIN-UHFFFAOYSA-N 1 0 343.475 2.662 10 70 EFIERO COCC[N@@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159923057 532966154 /nfs/dbraw/zinc/96/61/54/532966154.db2.gz QSCMJCBACADVAP-AWEZNQCLSA-N 1 0 346.393 2.780 10 70 EFIERO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1)C(C)C ZINC000160522828 285098590 /nfs/dbraw/zinc/09/85/90/285098590.db2.gz NXFXBKGYGLEMIY-MAUKXSAKSA-N 1 0 345.487 2.643 10 70 EFIERO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(-c2ncon2)cc1 ZINC000159692493 225261313 /nfs/dbraw/zinc/26/13/13/225261313.db2.gz NVRLBENRURTWNW-UHFFFAOYSA-N 1 0 328.416 2.779 10 70 EFIERO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000159902600 225300219 /nfs/dbraw/zinc/30/02/19/225300219.db2.gz VDCBZBKJXUEPER-QUCCMNQESA-N 1 0 345.487 2.585 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000159981282 225313534 /nfs/dbraw/zinc/31/35/34/225313534.db2.gz DAFUMKUSYMHZKC-JTQLQIEISA-N 1 0 349.233 2.709 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000160269745 225374750 /nfs/dbraw/zinc/37/47/50/225374750.db2.gz JUXUFGDVUJJWAS-BLOHKPANSA-N 1 0 337.489 2.666 10 70 EFIERO CN(C)CC[NH+]1CCC(CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC000160139544 225346592 /nfs/dbraw/zinc/34/65/92/225346592.db2.gz ZRLIJJJQHCBXEM-UXBLZVDNSA-N 1 0 343.515 2.870 10 70 EFIERO C[NH+](C)[C@H]1CCCN(C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000160523413 544806314 /nfs/dbraw/zinc/80/63/14/544806314.db2.gz UVDYWBUKYDSMQY-INIZCTEOSA-N 1 0 339.867 2.592 10 70 EFIERO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159515638 544796633 /nfs/dbraw/zinc/79/66/33/544796633.db2.gz FHZGZGONHOQPSQ-PVAVHDDUSA-N 1 0 333.476 2.837 10 70 EFIERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159724993 276828665 /nfs/dbraw/zinc/82/86/65/276828665.db2.gz ZRFCONODHQWBHD-MSOLQXFVSA-N 1 0 330.472 2.767 10 70 EFIERO CC(C)Sc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160347876 279751326 /nfs/dbraw/zinc/75/13/26/279751326.db2.gz VVOIPPSASLEFGR-HNNXBMFYSA-N 1 0 336.501 2.764 10 70 EFIERO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000159443760 310687094 /nfs/dbraw/zinc/68/70/94/310687094.db2.gz FXSQWZDAUDDEKX-QGZVFWFLSA-N 1 0 347.503 2.973 10 70 EFIERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccnc(OC(C)C)c1 ZINC000159640767 310689604 /nfs/dbraw/zinc/68/96/04/310689604.db2.gz CSXZZDNQNMCUOM-INIZCTEOSA-N 1 0 336.480 2.644 10 70 EFIERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159893587 310692425 /nfs/dbraw/zinc/69/24/25/310692425.db2.gz GDUVKOMITIZQRF-ZIAGYGMSSA-N 1 0 329.448 2.611 10 70 EFIERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC1CCCCC1 ZINC000159879333 310692429 /nfs/dbraw/zinc/69/24/29/310692429.db2.gz PBKMTESCKXDIJL-LSDHHAIUSA-N 1 0 341.459 2.755 10 70 EFIERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159892852 310692528 /nfs/dbraw/zinc/69/25/28/310692528.db2.gz YZIXUXUQUAKVFL-SOUVJXGZSA-N 1 0 329.448 2.611 10 70 EFIERO CC(C)[C@@H](CNC(=O)N(C[C@@H](C)O)C(C)C)[NH+]1CCC(C)CC1 ZINC000160223693 310696140 /nfs/dbraw/zinc/69/61/40/310696140.db2.gz DFRMZGHLNZMHCG-IAGOWNOFSA-N 1 0 327.513 2.544 10 70 EFIERO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000160233709 310696308 /nfs/dbraw/zinc/69/63/08/310696308.db2.gz WJYZSJARQAIFML-MRXNPFEDSA-N 1 0 330.472 2.961 10 70 EFIERO CC(C)C[C@@H](C)Oc1cc(C[NH2+]C2CCN(C(N)=O)CC2)ccn1 ZINC000160804613 310702915 /nfs/dbraw/zinc/70/29/15/310702915.db2.gz UEWMWBBNTGBIID-CQSZACIVSA-N 1 0 334.464 2.528 10 70 EFIERO Cc1cc(C[C@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)[nH]n1 ZINC000161090229 473206207 /nfs/dbraw/zinc/20/62/07/473206207.db2.gz MDZPKKJAJBXIBN-AWEZNQCLSA-N 1 0 326.444 2.675 10 70 EFIERO CCCc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000161125777 473209552 /nfs/dbraw/zinc/20/95/52/473209552.db2.gz HQVQNDYWAQBOMI-LRDDRELGSA-N 1 0 333.476 2.937 10 70 EFIERO CSc1cccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161143885 473211096 /nfs/dbraw/zinc/21/10/96/473211096.db2.gz SIIYXZBKFQOURT-KDOFPFPSSA-N 1 0 334.485 2.974 10 70 EFIERO CC[C@@](C)(O)C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000161136560 473211401 /nfs/dbraw/zinc/21/14/01/473211401.db2.gz BWZFWELWZFCGAG-SWLSCSKDSA-N 1 0 335.366 2.538 10 70 EFIERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000161184090 473215173 /nfs/dbraw/zinc/21/51/73/473215173.db2.gz XZLWTUQSEPJCEY-ACJLOTCBSA-N 1 0 328.460 2.564 10 70 EFIERO CCN(CCc1nccs1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000161251856 473221062 /nfs/dbraw/zinc/22/10/62/473221062.db2.gz VBQYADLSJMRKTD-UHFFFAOYSA-N 1 0 338.521 2.982 10 70 EFIERO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC000161284912 473223939 /nfs/dbraw/zinc/22/39/39/473223939.db2.gz QNHJOSWUBUIBQO-CQSZACIVSA-N 1 0 347.400 2.826 10 70 EFIERO Cc1ccc(C2(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)CCOCC2)cc1 ZINC000161286097 473224122 /nfs/dbraw/zinc/22/41/22/473224122.db2.gz DOUVIDRZHIRHKH-PKOBYXMFSA-N 1 0 344.499 2.888 10 70 EFIERO CCC[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC(C)(C)C ZINC000161289189 473224572 /nfs/dbraw/zinc/22/45/72/473224572.db2.gz OPXDSNXWHPECJZ-INIZCTEOSA-N 1 0 334.460 2.988 10 70 EFIERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000161322248 473226758 /nfs/dbraw/zinc/22/67/58/473226758.db2.gz YRZOXXTVDVKYMK-LLVKDONJSA-N 1 0 341.249 2.529 10 70 EFIERO CC[N@H+](C)[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000161356885 473229756 /nfs/dbraw/zinc/22/97/56/473229756.db2.gz FGZMWUGBQDHUHT-RBUKOAKNSA-N 1 0 339.439 2.754 10 70 EFIERO CCc1ccccc1NC(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161332637 473227410 /nfs/dbraw/zinc/22/74/10/473227410.db2.gz MBWYZUOUCJYVBB-INIZCTEOSA-N 1 0 341.459 2.679 10 70 EFIERO CCC[C@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC000161407302 473233858 /nfs/dbraw/zinc/23/38/58/473233858.db2.gz DEUVYYYWYVHOGE-GOSISDBHSA-N 1 0 335.467 2.590 10 70 EFIERO C[NH+](C)[C@@H]1CCN(C(=O)CSc2cccc(Br)c2)C1 ZINC000161372715 473231338 /nfs/dbraw/zinc/23/13/38/473231338.db2.gz GKNPCQJSNVZEIF-GFCCVEGCSA-N 1 0 343.290 2.704 10 70 EFIERO CCCc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(=O)OC ZINC000161403488 473232803 /nfs/dbraw/zinc/23/28/03/473232803.db2.gz LWENCQRTOFOXNQ-SWLSCSKDSA-N 1 0 349.475 2.521 10 70 EFIERO CCOCCC1(CNC(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000161426165 473234815 /nfs/dbraw/zinc/23/48/15/473234815.db2.gz UVNXUYAYYPBZSK-UHFFFAOYSA-N 1 0 348.491 2.591 10 70 EFIERO CCn1cnnc1[C@@H]1CCCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000161421377 473234929 /nfs/dbraw/zinc/23/49/29/473234929.db2.gz LJUCJZMFGPTABZ-GFCCVEGCSA-N 1 0 344.444 2.789 10 70 EFIERO COc1ccc([C@@H](CCO)[NH2+]CCN(C)Cc2ccc(F)cc2)cc1 ZINC000161434572 473235328 /nfs/dbraw/zinc/23/53/28/473235328.db2.gz OMKCIWPQZPWNGT-HXUWFJFHSA-N 1 0 346.446 2.979 10 70 EFIERO C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C)CCCc3ccccc32)C[C@H](C)O1 ZINC000159393513 473024310 /nfs/dbraw/zinc/02/43/10/473024310.db2.gz ZTOFJYNAKWIELM-LLGFUMIMSA-N 1 0 344.499 2.896 10 70 EFIERO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(SC)cc1OC ZINC000159520747 473035594 /nfs/dbraw/zinc/03/55/94/473035594.db2.gz AQHXPIWNFWBAHO-RYUDHWBXSA-N 1 0 338.473 2.512 10 70 EFIERO COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159637407 473046934 /nfs/dbraw/zinc/04/69/34/473046934.db2.gz GTNSKPOFDRHTOP-YJBOKZPZSA-N 1 0 333.476 2.893 10 70 EFIERO CCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC(F)F ZINC000159681800 473051229 /nfs/dbraw/zinc/05/12/29/473051229.db2.gz IYSGLTHMGJLFBL-WCQYABFASA-N 1 0 342.386 2.773 10 70 EFIERO CCCCOC(=O)[C@H](C)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000159745129 473056735 /nfs/dbraw/zinc/05/67/35/473056735.db2.gz UKJMZAJURVIBOJ-HNNXBMFYSA-N 1 0 338.492 2.879 10 70 EFIERO O=C(c1csc(Cc2ccccc2F)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159900690 473070782 /nfs/dbraw/zinc/07/07/82/473070782.db2.gz QQGOHZOXOHZWQC-OKILXGFUSA-N 1 0 345.443 2.840 10 70 EFIERO CC[C@@H](Sc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160058398 473084551 /nfs/dbraw/zinc/08/45/51/473084551.db2.gz GBSIACFRNKTJAS-DOTOQJQBSA-N 1 0 336.501 2.520 10 70 EFIERO CC(C)[C@H](CNC(=O)N(C[C@@H](C)O)C(C)C)[NH+]1CCC(C)CC1 ZINC000160223546 473098025 /nfs/dbraw/zinc/09/80/25/473098025.db2.gz DFRMZGHLNZMHCG-SJORKVTESA-N 1 0 327.513 2.544 10 70 EFIERO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000160238623 473099216 /nfs/dbraw/zinc/09/92/16/473099216.db2.gz BUANUMAFTSVABD-GOSISDBHSA-N 1 0 338.455 2.984 10 70 EFIERO Cn1c(C(=O)N2CC[C@@H]([NH3+])C2)ccc1-c1cccc(Br)c1 ZINC000160273351 473104021 /nfs/dbraw/zinc/10/40/21/473104021.db2.gz KETCSCVDEDLRFI-CYBMUJFWSA-N 1 0 348.244 2.628 10 70 EFIERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160306815 473106258 /nfs/dbraw/zinc/10/62/58/473106258.db2.gz ZXPUJWJZBNSBQA-ZBFHGGJFSA-N 1 0 337.489 2.705 10 70 EFIERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000160387142 473115935 /nfs/dbraw/zinc/11/59/35/473115935.db2.gz RGTXIYKELIUZTL-IAGOWNOFSA-N 1 0 349.475 2.753 10 70 EFIERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000160387005 473116056 /nfs/dbraw/zinc/11/60/56/473116056.db2.gz RGTXIYKELIUZTL-IRXDYDNUSA-N 1 0 349.475 2.753 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OC2CCCC2)c1 ZINC000160440245 473125725 /nfs/dbraw/zinc/12/57/25/473125725.db2.gz KXGRCOWUOPNHGK-KRWDZBQOSA-N 1 0 346.471 2.585 10 70 EFIERO Cc1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1OCCC(C)C ZINC000160452022 473127425 /nfs/dbraw/zinc/12/74/25/473127425.db2.gz GKMAGRJNJODIQP-QGZVFWFLSA-N 1 0 349.475 2.872 10 70 EFIERO O=C(c1ccc(F)cc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160526525 473137522 /nfs/dbraw/zinc/13/75/22/473137522.db2.gz MNEQZLZAPNIELT-PHIMTYICSA-N 1 0 327.197 2.555 10 70 EFIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160532082 473137668 /nfs/dbraw/zinc/13/76/68/473137668.db2.gz NIDKHEMZSNPKHN-WDEREUQCSA-N 1 0 331.243 2.958 10 70 EFIERO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160526576 473138216 /nfs/dbraw/zinc/13/82/16/473138216.db2.gz BBQSMWHPOUXDTE-IDHHARJASA-N 1 0 348.512 2.648 10 70 EFIERO COc1ccccc1C[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160547607 473141259 /nfs/dbraw/zinc/14/12/59/473141259.db2.gz LBSRDLQBOYNPMO-DLBZAZTESA-N 1 0 328.460 2.767 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSC[C@@H]1CCCCO1 ZINC000160577345 473145092 /nfs/dbraw/zinc/14/50/92/473145092.db2.gz NPWJUONTFLJXJJ-CVEARBPZSA-N 1 0 328.522 2.525 10 70 EFIERO CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000160612320 473150762 /nfs/dbraw/zinc/15/07/62/473150762.db2.gz DTVOJEPOTMUKBX-SJLPKXTDSA-N 1 0 337.552 2.933 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C2CC2)cs1 ZINC000160637641 473154859 /nfs/dbraw/zinc/15/48/59/473154859.db2.gz NKFXCYCQGCIDKJ-CQSZACIVSA-N 1 0 336.505 2.940 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2F)o1 ZINC000160647894 473156145 /nfs/dbraw/zinc/15/61/45/473156145.db2.gz LKYXPKAZGFXTAZ-AWEZNQCLSA-N 1 0 346.402 2.662 10 70 EFIERO Cc1cccc2c(CCC(=O)NCCCC[NH+]3CCOCC3)c[nH]c21 ZINC000160679782 473160332 /nfs/dbraw/zinc/16/03/32/473160332.db2.gz QYIWTNJJGYZFOQ-UHFFFAOYSA-N 1 0 343.471 2.638 10 70 EFIERO C[N@H+](CCN1CCc2ccccc2[C@@H]1CO)Cc1ccc(F)cc1 ZINC000160691710 473161634 /nfs/dbraw/zinc/16/16/34/473161634.db2.gz VFEXUDGKLZQEID-FQEVSTJZSA-N 1 0 328.431 2.849 10 70 EFIERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000160692807 473162244 /nfs/dbraw/zinc/16/22/44/473162244.db2.gz BLYSLINOOFSAJA-LSDHHAIUSA-N 1 0 328.250 2.983 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000160792542 473176033 /nfs/dbraw/zinc/17/60/33/473176033.db2.gz XDEGSWIFAQMGFB-GOSISDBHSA-N 1 0 347.507 2.918 10 70 EFIERO CC(C)[C@H](O)CC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000160802123 473176551 /nfs/dbraw/zinc/17/65/51/473176551.db2.gz JSNLOJDNUWOTJY-LJQANCHMSA-N 1 0 344.455 2.935 10 70 EFIERO CCn1ccnc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1=O ZINC000160802951 473177834 /nfs/dbraw/zinc/17/78/34/473177834.db2.gz XSBAQMLWYJDKLO-IBGZPJMESA-N 1 0 326.444 2.730 10 70 EFIERO Cc1ccc([C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CCO2)o1 ZINC000160826949 473179734 /nfs/dbraw/zinc/17/97/34/473179734.db2.gz WTJVMIOWGICRDJ-WMZOPIPTSA-N 1 0 349.475 2.791 10 70 EFIERO Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CCO2)o1 ZINC000160827193 473180067 /nfs/dbraw/zinc/18/00/67/473180067.db2.gz WTJVMIOWGICRDJ-AEFFLSMTSA-N 1 0 349.475 2.791 10 70 EFIERO COC(=O)CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)CC(C)C ZINC000160859991 473184421 /nfs/dbraw/zinc/18/44/21/473184421.db2.gz RJPHYJQYOCNACF-UHFFFAOYSA-N 1 0 330.432 2.503 10 70 EFIERO COc1cc(C)cc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000160922018 473191843 /nfs/dbraw/zinc/19/18/43/473191843.db2.gz JYWPNBGUQMIRHD-UHFFFAOYSA-N 1 0 333.476 2.923 10 70 EFIERO C[C@H]1C[C@@H](Nc2cc(=O)n3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000160948914 473193668 /nfs/dbraw/zinc/19/36/68/473193668.db2.gz XCGKREGCVXDTHD-DOTOQJQBSA-N 1 0 334.423 2.769 10 70 EFIERO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161059131 473202383 /nfs/dbraw/zinc/20/23/83/473202383.db2.gz HOXMXIFFXHHXDM-JKSUJKDBSA-N 1 0 331.460 2.608 10 70 EFIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000160126969 534538371 /nfs/dbraw/zinc/53/83/71/534538371.db2.gz LNIBISVOVCBXGF-MRXNPFEDSA-N 1 0 346.402 2.662 10 70 EFIERO CC[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CCOC1 ZINC000161074263 522646138 /nfs/dbraw/zinc/64/61/38/522646138.db2.gz JCHMYIXTTZYXIF-OALUTQOASA-N 1 0 326.440 2.801 10 70 EFIERO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000160193372 527525162 /nfs/dbraw/zinc/52/51/62/527525162.db2.gz JPIAJSOTTADIKE-INIZCTEOSA-N 1 0 338.879 2.581 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000160238392 528263948 /nfs/dbraw/zinc/26/39/48/528263948.db2.gz GOFZYTRMWZRJDJ-UKRRQHHQSA-N 1 0 325.478 2.561 10 70 EFIERO CC(C)[C@@H](CNC(=O)CC/C=C/c1ccccc1)[NH+]1CCN(C)CC1 ZINC000160047547 528448024 /nfs/dbraw/zinc/44/80/24/528448024.db2.gz AAZJVNBEQUZVSL-WUTDNEBXSA-N 1 0 343.515 2.868 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 ZINC000159817236 529024222 /nfs/dbraw/zinc/02/42/22/529024222.db2.gz ZIUVZJGYHOTGRM-UHFFFAOYSA-N 1 0 328.460 2.756 10 70 EFIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cn(C)nc2-c2cccs2)[C@@H](C)C1 ZINC000159737584 529104507 /nfs/dbraw/zinc/10/45/07/529104507.db2.gz RSQQEEFTGNJDCP-JSGCOSHPSA-N 1 0 332.473 2.607 10 70 EFIERO CC[C@H](C)CS(=O)(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000159759819 529674190 /nfs/dbraw/zinc/67/41/90/529674190.db2.gz VIHWFOZJLRWRKN-HNNXBMFYSA-N 1 0 339.505 2.616 10 70 EFIERO CCc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000160118852 529696852 /nfs/dbraw/zinc/69/68/52/529696852.db2.gz ONLXMXCQDUNADE-AWEZNQCLSA-N 1 0 342.530 2.950 10 70 EFIERO CSc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160311984 532997274 /nfs/dbraw/zinc/99/72/74/532997274.db2.gz NUXDDZSNCCVIRM-CQSZACIVSA-N 1 0 342.530 2.807 10 70 EFIERO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160121449 291923342 /nfs/dbraw/zinc/92/33/42/291923342.db2.gz PHVJQYOPVVDFDF-INIZCTEOSA-N 1 0 340.464 2.773 10 70 EFIERO O=C1CCCN1CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000159499151 225229964 /nfs/dbraw/zinc/22/99/64/225229964.db2.gz XNXZVPVLWKIDSN-UHFFFAOYSA-N 1 0 349.906 2.907 10 70 EFIERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159725382 225266170 /nfs/dbraw/zinc/26/61/70/225266170.db2.gz ZRFCONODHQWBHD-ZWKOTPCHSA-N 1 0 330.472 2.767 10 70 EFIERO Cc1ccc(C(=O)CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000159553745 225238241 /nfs/dbraw/zinc/23/82/41/225238241.db2.gz CPGPUKWHPHWKCJ-FQEVSTJZSA-N 1 0 343.515 2.670 10 70 EFIERO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160121568 225343805 /nfs/dbraw/zinc/34/38/05/225343805.db2.gz PHVJQYOPVVDFDF-MRXNPFEDSA-N 1 0 340.464 2.773 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)sc1Cl ZINC000160221190 225363566 /nfs/dbraw/zinc/36/35/66/225363566.db2.gz YGICQRHZKJXXGY-VIFPVBQESA-N 1 0 337.272 2.632 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000160377316 544805129 /nfs/dbraw/zinc/80/51/29/544805129.db2.gz DSUBSCBZLPOPBF-QGZVFWFLSA-N 1 0 344.434 2.862 10 70 EFIERO C[NH+](C)[C@@H]1CCCN(C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000160523287 544806150 /nfs/dbraw/zinc/80/61/50/544806150.db2.gz UVDYWBUKYDSMQY-MRXNPFEDSA-N 1 0 339.867 2.592 10 70 EFIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC1(c2ccccc2)CCC1 ZINC000161009165 544809536 /nfs/dbraw/zinc/80/95/36/544809536.db2.gz YELSZWBSDCVRRV-WIYYLYMNSA-N 1 0 342.483 2.809 10 70 EFIERO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000161368811 544813888 /nfs/dbraw/zinc/81/38/88/544813888.db2.gz YAUFRXMHDXXILL-UHFFFAOYSA-N 1 0 339.379 2.842 10 70 EFIERO C[C@H](c1cccc(F)c1)N1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000159468804 544796310 /nfs/dbraw/zinc/79/63/10/544796310.db2.gz QDWAEEQVXGFBRS-VQIMIIECSA-N 1 0 336.451 2.700 10 70 EFIERO CC1(C)C[C@H](NC(=O)C2([NH3+])Cc3ccccc3C2)c2ccccc2O1 ZINC000160341063 281338019 /nfs/dbraw/zinc/33/80/19/281338019.db2.gz SZKSTIVCLLYDLK-KRWDZBQOSA-N 1 0 336.435 2.901 10 70 EFIERO O=C(C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)NCc1ccco1 ZINC000159855585 310692205 /nfs/dbraw/zinc/69/22/05/310692205.db2.gz NYRQCGDIEODCCO-UHFFFAOYSA-N 1 0 330.281 2.844 10 70 EFIERO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159861409 310692299 /nfs/dbraw/zinc/69/22/99/310692299.db2.gz DRTPQBAOJLWNPV-DNVCBOLYSA-N 1 0 347.422 2.723 10 70 EFIERO CCOCCC1(CNC(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000159877240 310692423 /nfs/dbraw/zinc/69/24/23/310692423.db2.gz KKMZRUOSPIUNIU-UHFFFAOYSA-N 1 0 325.497 2.614 10 70 EFIERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159937828 310692971 /nfs/dbraw/zinc/69/29/71/310692971.db2.gz OFKFBRLGWCVLIM-GJZGRUSLSA-N 1 0 329.448 2.613 10 70 EFIERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159938098 310692975 /nfs/dbraw/zinc/69/29/75/310692975.db2.gz OFKFBRLGWCVLIM-CABCVRRESA-N 1 0 329.448 2.613 10 70 EFIERO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccccc1 ZINC000159948356 310693215 /nfs/dbraw/zinc/69/32/15/310693215.db2.gz HRIGVXCTMUUUED-HZPDHXFCSA-N 1 0 349.438 2.623 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160792295 310702664 /nfs/dbraw/zinc/70/26/64/310702664.db2.gz ONLZVYBZHXUEHE-UHFFFAOYSA-N 1 0 339.461 2.778 10 70 EFIERO COc1cc(Br)c(C[NH2+]C(C)(C)[C@@H](C)O)cc1OC ZINC000161144566 473211083 /nfs/dbraw/zinc/21/10/83/473211083.db2.gz QHRHJOWQEVMSLB-SECBINFHSA-N 1 0 332.238 2.715 10 70 EFIERO CC[C@](C)(O)C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000161136450 473211481 /nfs/dbraw/zinc/21/14/81/473211481.db2.gz BWZFWELWZFCGAG-WFASDCNBSA-N 1 0 335.366 2.538 10 70 EFIERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000161184197 473215497 /nfs/dbraw/zinc/21/54/97/473215497.db2.gz XZLWTUQSEPJCEY-UGSOOPFHSA-N 1 0 328.460 2.564 10 70 EFIERO CN(CC[N@@H+]1CCC[C@H](Cc2nccn2C)C1)Cc1ccc(F)cc1 ZINC000161201355 473217241 /nfs/dbraw/zinc/21/72/41/473217241.db2.gz KQKBFRTXXPOIRQ-GOSISDBHSA-N 1 0 344.478 2.946 10 70 EFIERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1c(C)nn(C)c1C ZINC000161219286 473218250 /nfs/dbraw/zinc/21/82/50/473218250.db2.gz SAKWWPCKHDZYLE-WMLDXEAASA-N 1 0 328.460 2.783 10 70 EFIERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000161294924 473224707 /nfs/dbraw/zinc/22/47/07/473224707.db2.gz QCASJJQPNZHRNP-HOTGVXAUSA-N 1 0 335.496 2.511 10 70 EFIERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000161415679 473233354 /nfs/dbraw/zinc/23/33/54/473233354.db2.gz XPKAGBWYDZWKCE-SFHVURJKSA-N 1 0 326.444 2.671 10 70 EFIERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000161415527 473233548 /nfs/dbraw/zinc/23/35/48/473233548.db2.gz XPKAGBWYDZWKCE-GOSISDBHSA-N 1 0 326.444 2.671 10 70 EFIERO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000161371718 473230413 /nfs/dbraw/zinc/23/04/13/473230413.db2.gz QSDJAASMGSUNHE-CYBMUJFWSA-N 1 0 332.835 2.610 10 70 EFIERO CN(C(=O)COc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161384051 473231374 /nfs/dbraw/zinc/23/13/74/473231374.db2.gz ADNJHNHXFJPKKC-PBWFPOADSA-N 1 0 342.361 2.826 10 70 EFIERO COc1cccc(N2CC[C@@H](C[NH2+]C3CCC(NC(C)=O)CC3)C2)c1 ZINC000161404532 473233044 /nfs/dbraw/zinc/23/30/44/473233044.db2.gz YUDWDIWKZWKGKN-AOCRQIFASA-N 1 0 345.487 2.558 10 70 EFIERO CCC[C@@H](C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1)[NH+](C)C ZINC000161460681 473236815 /nfs/dbraw/zinc/23/68/15/473236815.db2.gz DXVATCLCOAZVKJ-ZDUSSCGKSA-N 1 0 342.823 2.561 10 70 EFIERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[NH+](C)C ZINC000161470752 473238078 /nfs/dbraw/zinc/23/80/78/473238078.db2.gz MDKHDPXEGLNRQP-GUYCJALGSA-N 1 0 331.460 2.943 10 70 EFIERO CC[NH+](CC)Cc1ccc(CNC(=O)N(C[C@@H](C)O)C(C)C)cc1 ZINC000159427378 473027557 /nfs/dbraw/zinc/02/75/57/473027557.db2.gz CKYNSQZRFLUWHX-MRXNPFEDSA-N 1 0 335.492 2.829 10 70 EFIERO CC[NH+](CC)Cc1ccc(CNC(=O)N(C[C@H](C)O)C(C)C)cc1 ZINC000159427521 473027616 /nfs/dbraw/zinc/02/76/16/473027616.db2.gz CKYNSQZRFLUWHX-INIZCTEOSA-N 1 0 335.492 2.829 10 70 EFIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000159526215 473036017 /nfs/dbraw/zinc/03/60/17/473036017.db2.gz LCIRXDLTTKEBGA-SUMWQHHRSA-N 1 0 327.403 2.974 10 70 EFIERO O=C(NCC[NH+]1CCCCCC1)c1cccc(OCC(F)(F)F)n1 ZINC000159654055 473048096 /nfs/dbraw/zinc/04/80/96/473048096.db2.gz NGUXGRLJYRFTOT-UHFFFAOYSA-N 1 0 345.365 2.629 10 70 EFIERO Cc1cc(Br)ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159679257 473050925 /nfs/dbraw/zinc/05/09/25/473050925.db2.gz WTECQMYMMYFZSJ-AAEUAGOBSA-N 1 0 325.250 2.843 10 70 EFIERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000159716397 473053581 /nfs/dbraw/zinc/05/35/81/473053581.db2.gz SOAILRSQKKLUEP-KBPBESRZSA-N 1 0 337.851 2.597 10 70 EFIERO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccccc2Cl)CCOCC1 ZINC000159707317 473054015 /nfs/dbraw/zinc/05/40/15/473054015.db2.gz DNBFVMIBQGEUND-GASCZTMLSA-N 1 0 348.874 2.741 10 70 EFIERO CC(C)Cn1ncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C1CC1 ZINC000159738376 473056004 /nfs/dbraw/zinc/05/60/04/473056004.db2.gz YERCJRCMMCPHOE-PBHICJAKSA-N 1 0 332.492 2.875 10 70 EFIERO CC(C)N(CCc1nccs1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000159850465 473065629 /nfs/dbraw/zinc/06/56/29/473065629.db2.gz OGMROADUTVNEPI-UHFFFAOYSA-N 1 0 347.440 2.763 10 70 EFIERO O=C(CCc1ncc(-c2ccccc2F)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159904555 473071787 /nfs/dbraw/zinc/07/17/87/473071787.db2.gz XLQQBJSCKJJFPW-OKILXGFUSA-N 1 0 343.402 2.766 10 70 EFIERO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000159924711 473073399 /nfs/dbraw/zinc/07/33/99/473073399.db2.gz CZZNZQZCRYKRMK-JKSUJKDBSA-N 1 0 343.475 2.952 10 70 EFIERO C[C@@H](NC(=O)N1CCC(C2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000160032490 473081546 /nfs/dbraw/zinc/08/15/46/473081546.db2.gz DMDPHKKALQCGEC-OAHLLOKOSA-N 1 0 339.524 2.811 10 70 EFIERO CC[NH+](CC)[C@H](CNC(=O)N(C[C@@H](C)O)C(C)C)c1ccsc1 ZINC000160221275 473098379 /nfs/dbraw/zinc/09/83/79/473098379.db2.gz JNZYBUCSBKLJNT-GDBMZVCRSA-N 1 0 341.521 2.932 10 70 EFIERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160447640 473125200 /nfs/dbraw/zinc/12/52/00/473125200.db2.gz PIRHFXFTPOKFSP-DYEKYZERSA-N 1 0 325.840 2.593 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCCOCc2ccc(Cl)cc2)CC1 ZINC000160544906 473141312 /nfs/dbraw/zinc/14/13/12/473141312.db2.gz IGVWQWYSVSWYOP-UHFFFAOYSA-N 1 0 339.867 2.594 10 70 EFIERO Cc1ccc(-c2nc(CC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)o1 ZINC000160605840 473150700 /nfs/dbraw/zinc/15/07/00/473150700.db2.gz XERRAAYOAQHJBF-BETUJISGSA-N 1 0 331.441 2.607 10 70 EFIERO Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000160643425 473155137 /nfs/dbraw/zinc/15/51/37/473155137.db2.gz WXOBYKMSTIDEBB-KDURUIRLSA-N 1 0 338.455 2.515 10 70 EFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000160812761 473178090 /nfs/dbraw/zinc/17/80/90/473178090.db2.gz YVIVIZJIJPKFRQ-NXHRZFHOSA-N 1 0 335.492 2.774 10 70 EFIERO Cc1ccc([C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CCO2)o1 ZINC000160827313 473179922 /nfs/dbraw/zinc/17/99/22/473179922.db2.gz WTJVMIOWGICRDJ-SJLPKXTDSA-N 1 0 349.475 2.791 10 70 EFIERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)on1 ZINC000160835077 473180898 /nfs/dbraw/zinc/18/08/98/473180898.db2.gz MRSJNFHYJMMINS-KGLIPLIRSA-N 1 0 339.399 2.847 10 70 EFIERO CCCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160941566 473193172 /nfs/dbraw/zinc/19/31/72/473193172.db2.gz HEHHFFDCDBBMDR-JKSUJKDBSA-N 1 0 332.444 2.824 10 70 EFIERO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160964800 473195318 /nfs/dbraw/zinc/19/53/18/473195318.db2.gz SFRFUNTXGGASDB-QRVBRYPASA-N 1 0 343.471 2.786 10 70 EFIERO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000161033798 473200591 /nfs/dbraw/zinc/20/05/91/473200591.db2.gz VQYDTLOBCQIZFU-INIZCTEOSA-N 1 0 325.416 2.614 10 70 EFIERO CCC[C@@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161447991 520577076 /nfs/dbraw/zinc/57/70/76/520577076.db2.gz QINFEQDBXUCRLU-SFHVURJKSA-N 1 0 346.471 2.847 10 70 EFIERO Cc1occc1C(=O)NC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000159641585 526806478 /nfs/dbraw/zinc/80/64/78/526806478.db2.gz WPXUEHWXJJNYMI-UHFFFAOYSA-N 1 0 338.411 2.630 10 70 EFIERO CC(C)CCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160528532 527774648 /nfs/dbraw/zinc/77/46/48/527774648.db2.gz GMGPOZGNPFAQPJ-SFHVURJKSA-N 1 0 348.487 2.688 10 70 EFIERO CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159964131 528183899 /nfs/dbraw/zinc/18/38/99/528183899.db2.gz NAFZHCMBXYWJFA-WMZOPIPTSA-N 1 0 348.487 2.540 10 70 EFIERO CCOCCC1(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000159984119 528627876 /nfs/dbraw/zinc/62/78/76/528627876.db2.gz TZVWLLSQVAQISX-GOSISDBHSA-N 1 0 332.488 2.872 10 70 EFIERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000160105668 529000476 /nfs/dbraw/zinc/00/04/76/529000476.db2.gz WAEXOQZCSOUZAZ-CABCVRRESA-N 1 0 337.489 2.705 10 70 EFIERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000160105800 529010191 /nfs/dbraw/zinc/01/01/91/529010191.db2.gz WAEXOQZCSOUZAZ-GJZGRUSLSA-N 1 0 337.489 2.705 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCc2cccc(-c3ccccn3)c2)CC1 ZINC000160181880 529026484 /nfs/dbraw/zinc/02/64/84/529026484.db2.gz BSDLEDHXLOAEEK-UHFFFAOYSA-N 1 0 338.455 2.986 10 70 EFIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)Oc3cc(F)ccc31)CC2 ZINC000160442456 282118946 /nfs/dbraw/zinc/11/89/46/282118946.db2.gz IRANPZCSFVQITB-ZFWWWQNUSA-N 1 0 330.407 2.932 10 70 EFIERO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000159420766 206245268 /nfs/dbraw/zinc/24/52/68/206245268.db2.gz YOOVZJDBWGKUGS-CQSZACIVSA-N 1 0 345.468 2.929 10 70 EFIERO C[C@@H]1C[C@H](NC(=O)N2CCCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159977025 206273806 /nfs/dbraw/zinc/27/38/06/206273806.db2.gz ABBRWFFQYRLRSE-WBVHZDCISA-N 1 0 333.501 2.798 10 70 EFIERO CCOCCC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000159984238 206273654 /nfs/dbraw/zinc/27/36/54/206273654.db2.gz TZVWLLSQVAQISX-SFHVURJKSA-N 1 0 332.488 2.872 10 70 EFIERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000160123089 206281052 /nfs/dbraw/zinc/28/10/52/206281052.db2.gz OAWZCBZJFXHSCI-GFCCVEGCSA-N 1 0 343.240 2.589 10 70 EFIERO COc1cccc(Cl)c1CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000160492238 206299807 /nfs/dbraw/zinc/29/98/07/206299807.db2.gz PYWZGZIPNRFYPN-UHFFFAOYSA-N 1 0 333.819 2.986 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000160545816 206303491 /nfs/dbraw/zinc/30/34/91/206303491.db2.gz FFOXLSSIAHEXHK-GOSISDBHSA-N 1 0 343.471 2.885 10 70 EFIERO CC(C)CC(=O)NCCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000160750256 206311590 /nfs/dbraw/zinc/31/15/90/206311590.db2.gz FMVJHBKOJIZQEH-UHFFFAOYSA-N 1 0 347.503 2.695 10 70 EFIERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161002957 206322786 /nfs/dbraw/zinc/32/27/86/206322786.db2.gz QCXNUFPFIPXVAY-IRXDYDNUSA-N 1 0 345.487 2.596 10 70 EFIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1cccc(Cl)c1 ZINC000161052420 206325517 /nfs/dbraw/zinc/32/55/17/206325517.db2.gz WFHJCTZSEXHDTN-QAPCUYQASA-N 1 0 336.863 2.583 10 70 EFIERO COc1ccc(OC)c([C@H](C)[NH2+]CCCS(=O)(=O)C(C)C)c1 ZINC000160576036 206304794 /nfs/dbraw/zinc/30/47/94/206304794.db2.gz ROUCOESYRFTINR-ZDUSSCGKSA-N 1 0 329.462 2.568 10 70 EFIERO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161173448 206332172 /nfs/dbraw/zinc/33/21/72/206332172.db2.gz PWZTXIQADOSDRE-SNUQEOBHSA-N 1 0 338.398 2.919 10 70 EFIERO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000161297642 206340248 /nfs/dbraw/zinc/34/02/48/206340248.db2.gz QZVWDMLONMHUDO-QGZVFWFLSA-N 1 0 331.460 2.884 10 70 EFIERO CCC[C@@H](C(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[NH+](C)C ZINC000161314340 206340768 /nfs/dbraw/zinc/34/07/68/206340768.db2.gz YJMUJMDENOFBCB-IBGZPJMESA-N 1 0 342.487 2.895 10 70 EFIERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)[C@@H](C)C1 ZINC000161343126 206342226 /nfs/dbraw/zinc/34/22/26/206342226.db2.gz QELCSCNKDILIRC-KSSFIOAISA-N 1 0 339.439 2.704 10 70 EFIERO Cc1occc1C(=O)NC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161322242 206342314 /nfs/dbraw/zinc/34/23/14/206342314.db2.gz JVIPEPYMQWNWTI-UHFFFAOYSA-N 1 0 333.476 2.658 10 70 EFIERO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161370728 206344538 /nfs/dbraw/zinc/34/45/38/206344538.db2.gz ZWIBDSHWLRNXQD-RISCZKNCSA-N 1 0 325.250 2.715 10 70 EFIERO CC(=O)c1ccc(OCCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161386916 206344587 /nfs/dbraw/zinc/34/45/87/206344587.db2.gz JKIRDSRMBKSEFR-KXBFYZLASA-N 1 0 346.471 2.893 10 70 EFIERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161409140 206346484 /nfs/dbraw/zinc/34/64/84/206346484.db2.gz HTVSBPGWCGKLQV-DZGCQCFKSA-N 1 0 347.846 2.818 10 70 EFIERO CSc1nsc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000160864853 533092733 /nfs/dbraw/zinc/09/27/33/533092733.db2.gz MVNNUCFULAGHCG-UHFFFAOYSA-N 1 0 329.495 2.502 10 70 EFIERO O[C@]12CCCC[C@@H]1C[N@H+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000160500018 544806568 /nfs/dbraw/zinc/80/65/68/544806568.db2.gz XSEYOIHWMZQBGT-BEFAXECRSA-N 1 0 333.428 2.811 10 70 EFIERO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000160810739 544808459 /nfs/dbraw/zinc/80/84/59/544808459.db2.gz UEIFWWUDBBSXQY-KDOFPFPSSA-N 1 0 336.501 2.554 10 70 EFIERO Cc1ccc(-c2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000161355345 544813777 /nfs/dbraw/zinc/81/37/77/544813777.db2.gz PKGCLUWXUABMMA-UHFFFAOYSA-N 1 0 335.411 2.762 10 70 EFIERO CC[C@H]1c2ccccc2CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000161496220 544814821 /nfs/dbraw/zinc/81/48/21/544814821.db2.gz RMCJUVPCMCVOAZ-SFHVURJKSA-N 1 0 341.459 2.986 10 70 EFIERO C[C@@H](c1cccc(F)c1)N1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000159468684 544795999 /nfs/dbraw/zinc/79/59/99/544795999.db2.gz QDWAEEQVXGFBRS-QFBILLFUSA-N 1 0 336.451 2.700 10 70 EFIERO COCCOc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000159554514 544797117 /nfs/dbraw/zinc/79/71/17/544797117.db2.gz ZAQZHOZZWMPNKZ-UHFFFAOYSA-N 1 0 349.475 2.954 10 70 EFIERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160786767 279185002 /nfs/dbraw/zinc/18/50/02/279185002.db2.gz PMNIEMYERLZXGE-WRWLIDTKSA-N 1 0 348.462 2.800 10 70 EFIERO CC1(C)C[C@@H](NC(=O)C2([NH3+])Cc3ccccc3C2)c2ccccc2O1 ZINC000160341195 281303942 /nfs/dbraw/zinc/30/39/42/281303942.db2.gz SZKSTIVCLLYDLK-QGZVFWFLSA-N 1 0 336.435 2.901 10 70 EFIERO COc1cc([C@H](C)[NH2+]CCCN2CCCC2=O)ccc1OC(F)F ZINC000159494994 310687885 /nfs/dbraw/zinc/68/78/85/310687885.db2.gz PISWEHGOLZRCFI-LBPRGKRZSA-N 1 0 342.386 2.960 10 70 EFIERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000159948809 310693122 /nfs/dbraw/zinc/69/31/22/310693122.db2.gz WWWOWZOFFCBYSK-QBFSEMIESA-N 1 0 342.892 2.757 10 70 EFIERO CCCC[NH+]1CCC(NC(=O)N(C)CCc2ncc(C)s2)CC1 ZINC000160382037 310698130 /nfs/dbraw/zinc/69/81/30/310698130.db2.gz LITDMMKHOOQKII-UHFFFAOYSA-N 1 0 338.521 2.900 10 70 EFIERO Cn1nccc1C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000160529835 310700046 /nfs/dbraw/zinc/70/00/46/310700046.db2.gz ULJURPZNUYSBHH-UHFFFAOYSA-N 1 0 330.407 2.767 10 70 EFIERO Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(C[NH3+])o3)[C@H](C)CO2)c1 ZINC000161274086 473223066 /nfs/dbraw/zinc/22/30/66/473223066.db2.gz FBDGAADMLYGWSJ-RDTXWAMCSA-N 1 0 328.412 2.957 10 70 EFIERO c1ccn2c(c1)nnc2C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161356219 473229101 /nfs/dbraw/zinc/22/91/01/473229101.db2.gz LZYQAEKNMNMCPL-UHFFFAOYSA-N 1 0 327.476 2.785 10 70 EFIERO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000161371613 473229854 /nfs/dbraw/zinc/22/98/54/473229854.db2.gz QSDJAASMGSUNHE-ZDUSSCGKSA-N 1 0 332.835 2.610 10 70 EFIERO CCOc1ccc(C(=O)CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161499953 473239536 /nfs/dbraw/zinc/23/95/36/473239536.db2.gz FMILYMNBZNEQOU-SJPCQFCGSA-N 1 0 344.455 2.790 10 70 EFIERO COc1ccccc1N1CCC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161509164 473240590 /nfs/dbraw/zinc/24/05/90/473240590.db2.gz PSEQJESGHKWHQE-QGZVFWFLSA-N 1 0 346.471 2.939 10 70 EFIERO Cn1cc([C@H](CNc2ccnc3c(F)cc(F)cc23)[NH+](C)C)cn1 ZINC000159544447 473037683 /nfs/dbraw/zinc/03/76/83/473037683.db2.gz WFKCXNQTXVDNCY-INIZCTEOSA-N 1 0 331.370 2.961 10 70 EFIERO Cc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1Br ZINC000159549829 473038848 /nfs/dbraw/zinc/03/88/48/473038848.db2.gz YORZAAKZWVOXSX-WCQYABFASA-N 1 0 325.250 2.843 10 70 EFIERO Cc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Br ZINC000159597931 473043077 /nfs/dbraw/zinc/04/30/77/473043077.db2.gz MMUHWQYFNRCNQW-AAEUAGOBSA-N 1 0 325.250 2.843 10 70 EFIERO COc1ccc(-c2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000159645133 473046319 /nfs/dbraw/zinc/04/63/19/473046319.db2.gz MEVMNXHFGAMDKP-OKILXGFUSA-N 1 0 343.452 2.785 10 70 EFIERO CN(CC[NH+]1CCCC1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159646169 473046542 /nfs/dbraw/zinc/04/65/42/473046542.db2.gz ABLKBPHYCJEBMJ-UHFFFAOYSA-N 1 0 337.265 2.853 10 70 EFIERO C[NH+](C)C[C@@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159669837 473049283 /nfs/dbraw/zinc/04/92/83/473049283.db2.gz IHZVJEGHGMBDEG-NSHDSACASA-N 1 0 337.265 2.709 10 70 EFIERO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000159711209 473053852 /nfs/dbraw/zinc/05/38/52/473053852.db2.gz LCBCNTRHRHROSU-CQSZACIVSA-N 1 0 347.459 2.992 10 70 EFIERO O=C(c1ccc(Br)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159802084 473062500 /nfs/dbraw/zinc/06/25/00/473062500.db2.gz AONYMSJEELIDSW-PHIMTYICSA-N 1 0 327.197 2.555 10 70 EFIERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159828381 473064497 /nfs/dbraw/zinc/06/44/97/473064497.db2.gz YKEIMNGCFWUDEX-CABCVRRESA-N 1 0 335.411 2.945 10 70 EFIERO COc1ccccc1CNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159871638 473069094 /nfs/dbraw/zinc/06/90/94/473069094.db2.gz KSKYSVOFKHRLKC-UHFFFAOYSA-N 1 0 347.484 2.721 10 70 EFIERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1C ZINC000159910189 473071457 /nfs/dbraw/zinc/07/14/57/473071457.db2.gz IYDBHUZXNNXJJN-HZPDHXFCSA-N 1 0 348.487 2.529 10 70 EFIERO CN(CC(=O)Nc1nc(C(F)(F)F)cs1)[C@@H]1CCSC1 ZINC000159933170 473073570 /nfs/dbraw/zinc/07/35/70/473073570.db2.gz RBWLWGSLVWDTAB-SSDOTTSWSA-N 1 0 325.381 2.538 10 70 EFIERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccccc1 ZINC000159948054 473075007 /nfs/dbraw/zinc/07/50/07/473075007.db2.gz HRIGVXCTMUUUED-HOTGVXAUSA-N 1 0 349.438 2.623 10 70 EFIERO C[C@H](NC(=O)N1CCC(C2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000160032372 473081813 /nfs/dbraw/zinc/08/18/13/473081813.db2.gz DMDPHKKALQCGEC-HNNXBMFYSA-N 1 0 339.524 2.811 10 70 EFIERO CC[NH+](CC)Cc1cccc(CNC(=O)N(C[C@H](C)O)C(C)C)c1 ZINC000160133413 473089883 /nfs/dbraw/zinc/08/98/83/473089883.db2.gz GGXVUYPDHGQBIE-INIZCTEOSA-N 1 0 335.492 2.829 10 70 EFIERO C[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)CCCc2ccccc21 ZINC000160294869 473105119 /nfs/dbraw/zinc/10/51/19/473105119.db2.gz HYQXAHIAWDEMSA-HXUWFJFHSA-N 1 0 330.472 2.509 10 70 EFIERO O=C(CC1CCCC1)NC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160306368 473107625 /nfs/dbraw/zinc/10/76/25/473107625.db2.gz GFNGMJQZXULKET-UHFFFAOYSA-N 1 0 340.471 2.995 10 70 EFIERO COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1OCC(C)C ZINC000160367787 473113201 /nfs/dbraw/zinc/11/32/01/473113201.db2.gz UXSKALKEQHAPCC-IYBDPMFKSA-N 1 0 332.444 2.697 10 70 EFIERO CCCC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)CC1 ZINC000160383439 473113650 /nfs/dbraw/zinc/11/36/50/473113650.db2.gz GGCNKRCFPVYAIC-GOSISDBHSA-N 1 0 349.475 2.935 10 70 EFIERO Cc1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1OCCC(C)C ZINC000160452150 473127180 /nfs/dbraw/zinc/12/71/80/473127180.db2.gz GKMAGRJNJODIQP-KRWDZBQOSA-N 1 0 349.475 2.872 10 70 EFIERO O=C(c1cccs1)c1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160544286 473139600 /nfs/dbraw/zinc/13/96/00/473139600.db2.gz OGUUBPCEBWQUQM-OKILXGFUSA-N 1 0 340.448 2.946 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSC[C@H]1CCCCO1 ZINC000160577493 473145322 /nfs/dbraw/zinc/14/53/22/473145322.db2.gz NPWJUONTFLJXJJ-HZPDHXFCSA-N 1 0 328.522 2.525 10 70 EFIERO COC(=O)c1csc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000160689062 473162439 /nfs/dbraw/zinc/16/24/39/473162439.db2.gz ZJFTVXHXDUXOEP-AWEZNQCLSA-N 1 0 347.440 2.959 10 70 EFIERO Cc1noc2nc(C(C)C)cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c12 ZINC000160699102 473163408 /nfs/dbraw/zinc/16/34/08/473163408.db2.gz XSBKIUISUIPBHU-BETUJISGSA-N 1 0 328.416 2.621 10 70 EFIERO CCCN(CCc1ccccn1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160752808 473171156 /nfs/dbraw/zinc/17/11/56/473171156.db2.gz BIDHLMGHKUEXIX-GOSISDBHSA-N 1 0 330.476 2.530 10 70 EFIERO O[C@@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1cc(F)ccc1F ZINC000160908751 473189537 /nfs/dbraw/zinc/18/95/37/473189537.db2.gz ZNTZMFJHUANMCI-GUYCJALGSA-N 1 0 333.382 2.827 10 70 EFIERO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)[C@H](C)C1CCCCC1 ZINC000160992716 473197674 /nfs/dbraw/zinc/19/76/74/473197674.db2.gz RDVHATVSVLGCJR-LSDHHAIUSA-N 1 0 345.487 2.596 10 70 EFIERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160363212 524605469 /nfs/dbraw/zinc/60/54/69/524605469.db2.gz NNHAHGGFWMRCRN-AWEZNQCLSA-N 1 0 347.434 2.557 10 70 EFIERO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)Oc3cc(F)ccc31)CC2 ZINC000160442322 282127736 /nfs/dbraw/zinc/12/77/36/282127736.db2.gz IRANPZCSFVQITB-HIFRSBDPSA-N 1 0 330.407 2.932 10 70 EFIERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)Oc3cc(F)ccc31)CC2 ZINC000160442039 282126152 /nfs/dbraw/zinc/12/61/52/282126152.db2.gz IRANPZCSFVQITB-UKRRQHHQSA-N 1 0 330.407 2.932 10 70 EFIERO O=C([C@H]1CCn2ccnc2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000161377334 239069594 /nfs/dbraw/zinc/06/95/94/239069594.db2.gz ZZNKNIYWTMUOIE-MSOLQXFVSA-N 1 0 344.503 2.560 10 70 EFIERO CCN(C)C(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160523461 284330417 /nfs/dbraw/zinc/33/04/17/284330417.db2.gz BPQJGNSECWINPU-GOSISDBHSA-N 1 0 345.487 2.629 10 70 EFIERO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000161058889 284404205 /nfs/dbraw/zinc/40/42/05/284404205.db2.gz HOXMXIFFXHHXDM-HOTGVXAUSA-N 1 0 331.460 2.608 10 70 EFIERO COCC[N@@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000159922926 532964651 /nfs/dbraw/zinc/96/46/51/532964651.db2.gz QSCMJCBACADVAP-CQSZACIVSA-N 1 0 346.393 2.780 10 70 EFIERO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159526490 225233398 /nfs/dbraw/zinc/23/33/98/225233398.db2.gz SCCRAPRIQGRENZ-HNNXBMFYSA-N 1 0 326.444 2.844 10 70 EFIERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159725259 225266147 /nfs/dbraw/zinc/26/61/47/225266147.db2.gz ZRFCONODHQWBHD-ROUUACIJSA-N 1 0 330.472 2.767 10 70 EFIERO Cc1cc(CN(C)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000159886092 225297353 /nfs/dbraw/zinc/29/73/53/225297353.db2.gz XDUXXYPKDKHSIG-YOEHRIQHSA-N 1 0 342.443 2.787 10 70 EFIERO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000159902843 225300388 /nfs/dbraw/zinc/30/03/88/225300388.db2.gz VDCBZBKJXUEPER-ICSRJNTNSA-N 1 0 345.487 2.585 10 70 EFIERO CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(F)c1 ZINC000159994427 225316836 /nfs/dbraw/zinc/31/68/36/225316836.db2.gz XOGHMJZLBGZMHX-INIZCTEOSA-N 1 0 343.446 2.794 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000160174187 225354863 /nfs/dbraw/zinc/35/48/63/225354863.db2.gz KYQLJOUMSOZMOU-LBPRGKRZSA-N 1 0 331.243 2.570 10 70 EFIERO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1cccc(-n2cnnn2)c1 ZINC000160052105 544801644 /nfs/dbraw/zinc/80/16/44/544801644.db2.gz SUPVAZWVUVFWHQ-GFCCVEGCSA-N 1 0 345.353 2.670 10 70 EFIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NC1(c2ccccc2)CCC1 ZINC000161009302 544810307 /nfs/dbraw/zinc/81/03/07/544810307.db2.gz YELSZWBSDCVRRV-NQIIRXRSSA-N 1 0 342.483 2.809 10 70 EFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000161303823 544812095 /nfs/dbraw/zinc/81/20/95/544812095.db2.gz RALSSMDRWRDLCQ-MRXNPFEDSA-N 1 0 344.459 2.955 10 70 EFIERO CC(=O)N(C)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000159687547 544798262 /nfs/dbraw/zinc/79/82/62/544798262.db2.gz SFZGNACIEYWHLH-UHFFFAOYSA-N 1 0 346.475 2.911 10 70 EFIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000159540048 274313511 /nfs/dbraw/zinc/31/35/11/274313511.db2.gz FMFPXKBKBBNPPG-OCCSQVGLSA-N 1 0 332.835 2.612 10 70 EFIERO CC(=O)N(C)C1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159785264 275444542 /nfs/dbraw/zinc/44/45/42/275444542.db2.gz NAAIHTQMGZZURI-KRWDZBQOSA-N 1 0 349.862 2.776 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000160872761 279159772 /nfs/dbraw/zinc/15/97/72/279159772.db2.gz JPAXVRKCHRVZOE-CQSZACIVSA-N 1 0 346.475 2.838 10 70 EFIERO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160864769 279185389 /nfs/dbraw/zinc/18/53/89/279185389.db2.gz YKELFPVBVSBQLB-YVWKXTFCSA-N 1 0 330.472 2.661 10 70 EFIERO COc1ccc(CCNC(=O)N(CC[NH+](C)C)C(C)C)c(Cl)c1 ZINC000159670981 295119691 /nfs/dbraw/zinc/11/96/91/295119691.db2.gz DQJFCEXJIMWUFY-UHFFFAOYSA-N 1 0 341.883 2.873 10 70 EFIERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159937706 310693158 /nfs/dbraw/zinc/69/31/58/310693158.db2.gz OFKFBRLGWCVLIM-LSDHHAIUSA-N 1 0 329.448 2.613 10 70 EFIERO COCCOc1cccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160517594 310699938 /nfs/dbraw/zinc/69/99/38/310699938.db2.gz BKOWLTFHQJPNTE-UHFFFAOYSA-N 1 0 342.439 2.703 10 70 EFIERO CCOCCC1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000160922244 310704225 /nfs/dbraw/zinc/70/42/25/310704225.db2.gz OKLPEDXAHKJAHI-UHFFFAOYSA-N 1 0 325.497 2.613 10 70 EFIERO CCCc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000161125653 473209491 /nfs/dbraw/zinc/20/94/91/473209491.db2.gz HQVQNDYWAQBOMI-BLLLJJGKSA-N 1 0 333.476 2.937 10 70 EFIERO Cc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000161322855 473226904 /nfs/dbraw/zinc/22/69/04/473226904.db2.gz KIHSYBICKGAJPL-WFASDCNBSA-N 1 0 345.487 2.937 10 70 EFIERO CN(C(=O)CCC(=O)c1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161347886 473228787 /nfs/dbraw/zinc/22/87/87/473228787.db2.gz OXIBSYMOHFMDHC-PBWFPOADSA-N 1 0 336.382 2.669 10 70 EFIERO CCC[C@H](C(=O)Nc1ccc(Sc2nncn2C)cc1)[NH+](C)C ZINC000161417743 473234207 /nfs/dbraw/zinc/23/42/07/473234207.db2.gz HDYWWZTVRXLRDJ-CQSZACIVSA-N 1 0 333.461 2.635 10 70 EFIERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161370972 473230524 /nfs/dbraw/zinc/23/05/24/473230524.db2.gz ZWIBDSHWLRNXQD-BXUZGUMPSA-N 1 0 325.250 2.715 10 70 EFIERO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161396129 473232756 /nfs/dbraw/zinc/23/27/56/473232756.db2.gz BBCKKQJZXCJXIL-YOEHRIQHSA-N 1 0 331.460 2.740 10 70 EFIERO CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161395699 473232860 /nfs/dbraw/zinc/23/28/60/473232860.db2.gz ZFBHQWYJZHGDPB-SMDDNHRTSA-N 1 0 348.516 2.843 10 70 EFIERO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000161395996 473232871 /nfs/dbraw/zinc/23/28/71/473232871.db2.gz BBCKKQJZXCJXIL-PBHICJAKSA-N 1 0 331.460 2.740 10 70 EFIERO CC(C)n1cc(Br)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159466562 473030323 /nfs/dbraw/zinc/03/03/23/473030323.db2.gz BJMSFUMIPQWOQP-BETUJISGSA-N 1 0 340.265 2.798 10 70 EFIERO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159475423 473031250 /nfs/dbraw/zinc/03/12/50/473031250.db2.gz JGIWQKZBCYQKPG-YCPHGPKFSA-N 1 0 334.485 2.607 10 70 EFIERO O=C(c1cc(F)ccc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159536629 473036664 /nfs/dbraw/zinc/03/66/64/473036664.db2.gz VANNTCRNQHNROP-PHIMTYICSA-N 1 0 327.197 2.555 10 70 EFIERO O=C1[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCN1C1CCOCC1 ZINC000159551620 473038625 /nfs/dbraw/zinc/03/86/25/473038625.db2.gz GUAHCXJKWIWYFG-ZWKOTPCHSA-N 1 0 332.419 2.573 10 70 EFIERO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159637682 473046836 /nfs/dbraw/zinc/04/68/36/473046836.db2.gz GTNSKPOFDRHTOP-MAUKXSAKSA-N 1 0 333.476 2.893 10 70 EFIERO CCOC(=O)CCc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000159651974 473048820 /nfs/dbraw/zinc/04/88/20/473048820.db2.gz RNRDLFWBWMUIKE-MRXNPFEDSA-N 1 0 347.459 2.646 10 70 EFIERO CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)CC(C)(C)O ZINC000159684884 473050788 /nfs/dbraw/zinc/05/07/88/473050788.db2.gz NPZLKYWUPROUJX-UHFFFAOYSA-N 1 0 326.238 2.918 10 70 EFIERO CCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC(F)F ZINC000159681939 473051312 /nfs/dbraw/zinc/05/13/12/473051312.db2.gz IYSGLTHMGJLFBL-AAEUAGOBSA-N 1 0 342.386 2.773 10 70 EFIERO COc1ccc(O[C@@H](C)C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159701461 473052686 /nfs/dbraw/zinc/05/26/86/473052686.db2.gz LLECQEGKPVMSPY-HNNXBMFYSA-N 1 0 334.460 2.891 10 70 EFIERO COCCCOC1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159803720 473061911 /nfs/dbraw/zinc/06/19/11/473061911.db2.gz VTHBSIADPFHPIH-UHFFFAOYSA-N 1 0 338.467 2.775 10 70 EFIERO Cc1cccc2[nH]c(CCC(=O)N3CCC([NH2+]CC4CC4)CC3)nc21 ZINC000159808251 473062245 /nfs/dbraw/zinc/06/22/45/473062245.db2.gz XPHNANNMQJYOAP-UHFFFAOYSA-N 1 0 340.471 2.795 10 70 EFIERO Fc1cc(F)c2nccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000159813958 473062816 /nfs/dbraw/zinc/06/28/16/473062816.db2.gz RNWVQWLGBUDSIJ-UHFFFAOYSA-N 1 0 333.382 2.814 10 70 EFIERO COc1cccc(CNC(=O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159821836 473063693 /nfs/dbraw/zinc/06/36/93/473063693.db2.gz MGEWANAFEUVZLJ-UHFFFAOYSA-N 1 0 347.484 2.721 10 70 EFIERO Cn1nc(-c2ccccc2)c(C[NH+]2CCC(CC(N)=O)CC2)c1Cl ZINC000159830441 473064268 /nfs/dbraw/zinc/06/42/68/473064268.db2.gz RXVONKGMDUQVON-UHFFFAOYSA-N 1 0 346.862 2.828 10 70 EFIERO COC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000159978146 473077673 /nfs/dbraw/zinc/07/76/73/473077673.db2.gz KQOJQGPCCQTVOG-MRXNPFEDSA-N 1 0 333.432 2.715 10 70 EFIERO C[C@H](N1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000160022368 473081032 /nfs/dbraw/zinc/08/10/32/473081032.db2.gz CQBPYOIPZQJWPP-AWEZNQCLSA-N 1 0 347.400 2.826 10 70 EFIERO COc1cc(C[NH2+]CC2(CO)CCCC2)cc(Br)c1O ZINC000160089213 473086852 /nfs/dbraw/zinc/08/68/52/473086852.db2.gz UOERDCCKUCMBLI-UHFFFAOYSA-N 1 0 344.249 2.806 10 70 EFIERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160121584 473089424 /nfs/dbraw/zinc/08/94/24/473089424.db2.gz KYSJLADLUMJEPL-SFHVURJKSA-N 1 0 335.536 2.831 10 70 EFIERO O=C(c1cc(Cl)ccc1OC(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160218113 473098094 /nfs/dbraw/zinc/09/80/94/473098094.db2.gz OWYMFKGTLVBRIW-PHIMTYICSA-N 1 0 330.762 2.908 10 70 EFIERO CN(CC[NH+]1CCC(N2CCCCC2=O)CC1)Cc1ccc(F)cc1 ZINC000160274432 473103973 /nfs/dbraw/zinc/10/39/73/473103973.db2.gz DZCBYMNMOCPJGW-UHFFFAOYSA-N 1 0 347.478 2.734 10 70 EFIERO CC[NH+](CC)CCSCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160370664 473114253 /nfs/dbraw/zinc/11/42/53/473114253.db2.gz UDAAOAYHLITJLM-UHFFFAOYSA-N 1 0 334.489 2.563 10 70 EFIERO C[N@H+](CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000160371877 473114298 /nfs/dbraw/zinc/11/42/98/473114298.db2.gz NITPSDOYVYHYIB-KSZLIROESA-N 1 0 349.519 2.898 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccc(F)cc2)CCCC1 ZINC000160452356 473127448 /nfs/dbraw/zinc/12/74/48/473127448.db2.gz OQLVVXSUNLEKCD-SFHVURJKSA-N 1 0 348.462 2.601 10 70 EFIERO COCCCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160463376 473127896 /nfs/dbraw/zinc/12/78/96/473127896.db2.gz KGCXYGLSDWDUNU-GOSISDBHSA-N 1 0 348.487 2.952 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSCc1cscn1 ZINC000160490275 473132964 /nfs/dbraw/zinc/13/29/64/473132964.db2.gz FYPOQGDVYMGYQM-CQSZACIVSA-N 1 0 327.519 2.613 10 70 EFIERO COc1ccccc1-c1nnc(CN2CCC([NH2+]C(C)C)CC2)o1 ZINC000160501544 473134163 /nfs/dbraw/zinc/13/41/63/473134163.db2.gz AITHOBNAQNEALK-UHFFFAOYSA-N 1 0 330.432 2.708 10 70 EFIERO COc1cccc(CO[C@@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160502306 473134196 /nfs/dbraw/zinc/13/41/96/473134196.db2.gz JCNJOAJJZRWTKW-FUHWJXTLSA-N 1 0 348.487 2.837 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000160499825 473134457 /nfs/dbraw/zinc/13/44/57/473134457.db2.gz LEUGXCCVYZQGNK-AWEZNQCLSA-N 1 0 331.243 2.570 10 70 EFIERO Cc1nc(CCNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)sc1C ZINC000160523660 473136152 /nfs/dbraw/zinc/13/61/52/473136152.db2.gz JIDVUFUJHSCBAS-OAHLLOKOSA-N 1 0 338.521 2.722 10 70 EFIERO CCCNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160519630 473137159 /nfs/dbraw/zinc/13/71/59/473137159.db2.gz PEUZGCAWOOHJDV-GOSISDBHSA-N 1 0 345.487 2.677 10 70 EFIERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(Cl)s1 ZINC000160555509 473141960 /nfs/dbraw/zinc/14/19/60/473141960.db2.gz FLROHGSMUVIGOD-HCKVZZMMSA-N 1 0 328.865 2.550 10 70 EFIERO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000160577047 473145066 /nfs/dbraw/zinc/14/50/66/473145066.db2.gz OPFUQRQFIBOOIK-GFCCVEGCSA-N 1 0 326.872 2.801 10 70 EFIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160581589 473146166 /nfs/dbraw/zinc/14/61/66/473146166.db2.gz ICLJHYADTIDOLM-LBPRGKRZSA-N 1 0 345.365 2.627 10 70 EFIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160581469 473146417 /nfs/dbraw/zinc/14/64/17/473146417.db2.gz ICLJHYADTIDOLM-GFCCVEGCSA-N 1 0 345.365 2.627 10 70 EFIERO Brc1ccc2[nH]c(CN3CC[N@@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000160592349 473148240 /nfs/dbraw/zinc/14/82/40/473148240.db2.gz NQQJWJIHKUJTMA-CYBMUJFWSA-N 1 0 349.276 2.996 10 70 EFIERO Cn1nccc1C1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000160649193 473156118 /nfs/dbraw/zinc/15/61/18/473156118.db2.gz JEZBEGDORNSUEV-UHFFFAOYSA-N 1 0 330.407 2.767 10 70 EFIERO COCc1csc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000160644778 473156779 /nfs/dbraw/zinc/15/67/79/473156779.db2.gz CLCQJPAUBOHVGK-UHFFFAOYSA-N 1 0 326.466 2.531 10 70 EFIERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160736814 473168710 /nfs/dbraw/zinc/16/87/10/473168710.db2.gz TXUXKQJTBHTEGY-RBUKOAKNSA-N 1 0 334.504 2.774 10 70 EFIERO C[C@@]1(CNc2cn[nH]c(=O)c2Cl)CCC[N@@H+]1Cc1ccccc1 ZINC000160805411 473177793 /nfs/dbraw/zinc/17/77/93/473177793.db2.gz QWHWRMCZASKFSU-KRWDZBQOSA-N 1 0 332.835 2.890 10 70 EFIERO COC(=O)c1csc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000160961765 473194447 /nfs/dbraw/zinc/19/44/47/473194447.db2.gz RBWIADPLDFFZFW-YHWZYXNKSA-N 1 0 337.445 2.672 10 70 EFIERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161002853 473198435 /nfs/dbraw/zinc/19/84/35/473198435.db2.gz QCXNUFPFIPXVAY-SJORKVTESA-N 1 0 345.487 2.596 10 70 EFIERO Cc1ccc(N2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)nc1 ZINC000161030353 473200623 /nfs/dbraw/zinc/20/06/23/473200623.db2.gz IOAKJGLOVWLNLK-UHFFFAOYSA-N 1 0 331.460 2.634 10 70 EFIERO CC(C)N(CC[NH+](C)C)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000160513425 500614940 /nfs/dbraw/zinc/61/49/40/500614940.db2.gz QDEFRZLPQZGTOA-UHFFFAOYSA-N 1 0 341.883 2.838 10 70 EFIERO O=C([C@@H]1CCn2ccnc2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000161377469 534594032 /nfs/dbraw/zinc/59/40/32/534594032.db2.gz ZZNKNIYWTMUOIE-ZWKOTPCHSA-N 1 0 344.503 2.560 10 70 EFIERO CCO[C@H](C)c1nc(CN2CC[NH+](C[C@@](C)(O)CC)CC2)cs1 ZINC000161282868 528011043 /nfs/dbraw/zinc/01/10/43/528011043.db2.gz QMPOHRBJCVPMIK-PBHICJAKSA-N 1 0 341.521 2.519 10 70 EFIERO CC[NH+](CC)CCN(CCOC)c1cc(C)nc(-c2cccnc2)n1 ZINC000160429994 528125261 /nfs/dbraw/zinc/12/52/61/528125261.db2.gz MFGAIYNAANPPHD-UHFFFAOYSA-N 1 0 343.475 2.642 10 70 EFIERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000161293115 528650156 /nfs/dbraw/zinc/65/01/56/528650156.db2.gz NVWJASJJGHGWEB-OAHLLOKOSA-N 1 0 333.476 2.545 10 70 EFIERO CCC[C@@H](C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[NH+](C)C ZINC000159821907 528844576 /nfs/dbraw/zinc/84/45/76/528844576.db2.gz JGSWZGXKRLXMOM-KRWDZBQOSA-N 1 0 331.460 2.772 10 70 EFIERO CC1(C(=O)NCCc2ccc[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000159491756 528854583 /nfs/dbraw/zinc/85/45/83/528854583.db2.gz PHAZOOVXLGGVMH-UHFFFAOYSA-N 1 0 325.456 2.976 10 70 EFIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cn(C)nc2-c2cccs2)C1 ZINC000159737435 529088739 /nfs/dbraw/zinc/08/87/39/529088739.db2.gz RSQQEEFTGNJDCP-OCCSQVGLSA-N 1 0 332.473 2.607 10 70 EFIERO CC[C@H](COC)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000159612959 529394717 /nfs/dbraw/zinc/39/47/17/529394717.db2.gz GPXLGQOMJMVSBA-MVCQKVDPSA-N 1 0 345.487 2.906 10 70 EFIERO CCc1ccc([C@@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160287840 529703984 /nfs/dbraw/zinc/70/39/84/529703984.db2.gz GOOYYBBZZCSGOW-LPHOPBHVSA-N 1 0 332.488 2.706 10 70 EFIERO COc1cccc(Cl)c1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000160779696 533555736 /nfs/dbraw/zinc/55/57/36/533555736.db2.gz RRZYLBULHXOMJR-CJNGLKHVSA-N 1 0 336.863 2.834 10 70 EFIERO COc1cc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)ccc1OCC(C)C ZINC000160015180 225320184 /nfs/dbraw/zinc/32/01/84/225320184.db2.gz DTFKGAOHIUVOJC-AWEZNQCLSA-N 1 0 349.475 2.924 10 70 EFIERO C[C@@H]1C[C@@H](NC(=O)N2CCCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159977340 274389050 /nfs/dbraw/zinc/38/90/50/274389050.db2.gz ABBRWFFQYRLRSE-NVXWUHKLSA-N 1 0 333.501 2.798 10 70 EFIERO C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CCS1(=O)=O ZINC000160735130 278444657 /nfs/dbraw/zinc/44/46/57/278444657.db2.gz ZFOLCNTXZWEWAG-JTQLQIEISA-N 1 0 344.358 2.877 10 70 EFIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160735980 288302558 /nfs/dbraw/zinc/30/25/58/288302558.db2.gz FKSYCUVXVNEWGR-OWYHZJEWSA-N 1 0 343.471 2.785 10 70 EFIERO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160235593 303882934 /nfs/dbraw/zinc/88/29/34/303882934.db2.gz DHJHIIKMTNKTHF-SQNIBIBYSA-N 1 0 335.492 2.604 10 70 EFIERO COc1cc([C@@H](C)[NH2+]CCCN2CCCC2=O)ccc1OC(F)F ZINC000159495118 310688028 /nfs/dbraw/zinc/68/80/28/310688028.db2.gz PISWEHGOLZRCFI-GFCCVEGCSA-N 1 0 342.386 2.960 10 70 EFIERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159893746 310692595 /nfs/dbraw/zinc/69/25/95/310692595.db2.gz GDUVKOMITIZQRF-KGLIPLIRSA-N 1 0 329.448 2.611 10 70 EFIERO CC(C)N(C[C@H](C)O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160129801 310695163 /nfs/dbraw/zinc/69/51/63/310695163.db2.gz LFSDMNQAGJTISB-INIZCTEOSA-N 1 0 333.476 2.583 10 70 EFIERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000161184327 473215312 /nfs/dbraw/zinc/21/53/12/473215312.db2.gz XZLWTUQSEPJCEY-FZKQIMNGSA-N 1 0 328.460 2.564 10 70 EFIERO CCC[C@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[NH+](C)C ZINC000161257258 473220772 /nfs/dbraw/zinc/22/07/72/473220772.db2.gz LITVLRXXIFLVPH-CQSZACIVSA-N 1 0 343.924 2.776 10 70 EFIERO CC(C)NC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161232102 473219791 /nfs/dbraw/zinc/21/97/91/473219791.db2.gz STKGGNBDRLLIDY-UHFFFAOYSA-N 1 0 328.460 2.856 10 70 EFIERO CSc1nc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2ccccn21 ZINC000161250657 473221159 /nfs/dbraw/zinc/22/11/59/473221159.db2.gz HMTGKRCAOBTPAA-STQMWFEESA-N 1 0 332.473 2.515 10 70 EFIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)N(CC(C)C)CC(C)C)C1 ZINC000161318193 473225211 /nfs/dbraw/zinc/22/52/11/473225211.db2.gz NAJLCBQQMKMOBH-QGZVFWFLSA-N 1 0 349.523 2.618 10 70 EFIERO CN(C(=O)CCc1ccc(OC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161326980 473226482 /nfs/dbraw/zinc/22/64/82/473226482.db2.gz ZFDAWWPHROQNER-YIONKMFJSA-N 1 0 338.398 2.962 10 70 EFIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000161354794 473228985 /nfs/dbraw/zinc/22/89/85/473228985.db2.gz ADGXYWZXYWWUMG-MNEFBYGVSA-N 1 0 347.478 2.635 10 70 EFIERO CN(CC[NH2+]C(C)(C)C(=O)NCC(C)(C)C)Cc1ccc(F)cc1 ZINC000161349899 473229004 /nfs/dbraw/zinc/22/90/04/473229004.db2.gz OMSHRLPFJCBHSK-UHFFFAOYSA-N 1 0 337.483 2.788 10 70 EFIERO CC[N@H+](C)[C@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000161356757 473229739 /nfs/dbraw/zinc/22/97/39/473229739.db2.gz FGZMWUGBQDHUHT-OALUTQOASA-N 1 0 339.439 2.754 10 70 EFIERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161409258 473233378 /nfs/dbraw/zinc/23/33/78/473233378.db2.gz HTVSBPGWCGKLQV-UKRRQHHQSA-N 1 0 347.846 2.818 10 70 EFIERO CCC[C@H](C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1)[NH+](C)C ZINC000161460819 473236863 /nfs/dbraw/zinc/23/68/63/473236863.db2.gz DXVATCLCOAZVKJ-CYBMUJFWSA-N 1 0 342.823 2.561 10 70 EFIERO CCC[C@H](C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)[NH+](C)C ZINC000161470987 473237910 /nfs/dbraw/zinc/23/79/10/473237910.db2.gz MDKHDPXEGLNRQP-CXAGYDPISA-N 1 0 331.460 2.943 10 70 EFIERO COc1ccccc1N1CCC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161509030 473240931 /nfs/dbraw/zinc/24/09/31/473240931.db2.gz PSEQJESGHKWHQE-KRWDZBQOSA-N 1 0 346.471 2.939 10 70 EFIERO CCc1nc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000159398263 473024344 /nfs/dbraw/zinc/02/43/44/473024344.db2.gz ANOKEPXVUIBYBN-OAHLLOKOSA-N 1 0 336.505 2.865 10 70 EFIERO CCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc(Cl)c1OC ZINC000159510073 473034015 /nfs/dbraw/zinc/03/40/15/473034015.db2.gz BBCWNUIPPQDIMZ-AAEUAGOBSA-N 1 0 340.851 2.833 10 70 EFIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCC(C)C ZINC000159509784 473034640 /nfs/dbraw/zinc/03/46/40/473034640.db2.gz WWBIGVSSGMXPHQ-GOEBONIOSA-N 1 0 334.460 2.816 10 70 EFIERO CC(C)[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H](C)O ZINC000159547508 473036738 /nfs/dbraw/zinc/03/67/38/473036738.db2.gz HPQBYZHSXNHRQJ-JTQLQIEISA-N 1 0 326.238 2.917 10 70 EFIERO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCN1C1CCOCC1 ZINC000159551894 473038425 /nfs/dbraw/zinc/03/84/25/473038425.db2.gz GUAHCXJKWIWYFG-ROUUACIJSA-N 1 0 332.419 2.573 10 70 EFIERO O=C(CCc1cccc(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159587355 473041557 /nfs/dbraw/zinc/04/15/57/473041557.db2.gz FSNAZJPAUCQGLO-GASCZTMLSA-N 1 0 337.261 2.735 10 70 EFIERO CC(C)N(CCc1nccs1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159659109 473047825 /nfs/dbraw/zinc/04/78/25/473047825.db2.gz FEKIPGKQCPONPX-KGLIPLIRSA-N 1 0 336.505 2.731 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCc1ccc(F)cc1 ZINC000159821679 473063190 /nfs/dbraw/zinc/06/31/90/473063190.db2.gz IRCQIQQLQAQNGK-UHFFFAOYSA-N 1 0 349.475 2.894 10 70 EFIERO C[NH+](C)C1CCN(CCNc2ccnc3c(F)cc(F)cc23)CC1 ZINC000159833692 473064635 /nfs/dbraw/zinc/06/46/35/473064635.db2.gz DKONONXHACNKTQ-UHFFFAOYSA-N 1 0 334.414 2.951 10 70 EFIERO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159861273 473067370 /nfs/dbraw/zinc/06/73/70/473067370.db2.gz DRTPQBAOJLWNPV-HNAYVOBHSA-N 1 0 347.422 2.723 10 70 EFIERO CN(C)c1nc(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ns1 ZINC000159874988 473069024 /nfs/dbraw/zinc/06/90/24/473069024.db2.gz JDXFLCBRUKIPKG-UHFFFAOYSA-N 1 0 345.516 2.701 10 70 EFIERO CCC(CC)[C@@H](CNC(=O)N(C[C@@H](C)O)C(C)C)[NH+]1CCCC1 ZINC000159901651 473070025 /nfs/dbraw/zinc/07/00/25/473070025.db2.gz BJBOXAFTCPPION-NVXWUHKLSA-N 1 0 327.513 2.688 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCOc1ccccc1 ZINC000159922456 473073371 /nfs/dbraw/zinc/07/33/71/473073371.db2.gz USUSMFGRSZAWQO-UHFFFAOYSA-N 1 0 347.484 2.591 10 70 EFIERO O=C(NCC[NH+]1CCCCCC1)c1cc(N2CCCC2=O)ccc1F ZINC000160219989 473097583 /nfs/dbraw/zinc/09/75/83/473097583.db2.gz UMAJETKWRHMMIM-UHFFFAOYSA-N 1 0 347.434 2.558 10 70 EFIERO Cn1nccc1C1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000160222712 473098497 /nfs/dbraw/zinc/09/84/97/473098497.db2.gz JVEFJPCTGWZRPW-KRWDZBQOSA-N 1 0 349.523 2.676 10 70 EFIERO Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(-c2ccccc2Cl)n1 ZINC000160225489 473098637 /nfs/dbraw/zinc/09/86/37/473098637.db2.gz YXOLAYSPJJJTLZ-BETUJISGSA-N 1 0 344.846 2.707 10 70 EFIERO CC(C)([NH3+])c1noc(COc2cc(F)ccc2Br)n1 ZINC000160326289 473108985 /nfs/dbraw/zinc/10/89/85/473108985.db2.gz LAEWEFZHVPXVOB-UHFFFAOYSA-N 1 0 330.157 2.744 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Oc2ccccc2)o1 ZINC000160414455 473119464 /nfs/dbraw/zinc/11/94/64/473119464.db2.gz QAHKFXCMQOHWLP-HNNXBMFYSA-N 1 0 344.411 2.649 10 70 EFIERO Cc1noc(C)c1CSCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160539827 473139271 /nfs/dbraw/zinc/13/92/71/473139271.db2.gz ABGRJBAGQKWUIT-OAHLLOKOSA-N 1 0 339.505 2.761 10 70 EFIERO CCC[NH+]1CCC(CNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160558424 473142572 /nfs/dbraw/zinc/14/25/72/473142572.db2.gz BLGZGWWEJPPQRJ-UHFFFAOYSA-N 1 0 347.385 2.689 10 70 EFIERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)nnn1-c1ccc(F)cc1 ZINC000160563872 473143787 /nfs/dbraw/zinc/14/37/87/473143787.db2.gz MHETVYMVZCXQBQ-JDFRZJQESA-N 1 0 332.423 2.917 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000160573207 473145429 /nfs/dbraw/zinc/14/54/29/473145429.db2.gz AUXUCQRPSAAEKK-ZUGFLLEASA-N 1 0 337.489 2.666 10 70 EFIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000160614276 473152495 /nfs/dbraw/zinc/15/24/95/473152495.db2.gz LBGCQMSSEQAKSX-WIYYLYMNSA-N 1 0 342.483 2.805 10 70 EFIERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000160911459 473191049 /nfs/dbraw/zinc/19/10/49/473191049.db2.gz KXFGHCGWQMVSLW-QZTJIDSGSA-N 1 0 337.508 2.707 10 70 EFIERO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000160136043 534406468 /nfs/dbraw/zinc/40/64/68/534406468.db2.gz VBMIVPNIFICTCV-KRWDZBQOSA-N 1 0 339.863 2.627 10 70 EFIERO Cc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc(C)c1OC(F)F ZINC000159563020 524712613 /nfs/dbraw/zinc/71/26/13/524712613.db2.gz GGRWZUKJMQAJGD-JSGCOSHPSA-N 1 0 326.387 2.991 10 70 EFIERO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)[C@@H](C)C1CCCCC1 ZINC000160992832 525436535 /nfs/dbraw/zinc/43/65/35/525436535.db2.gz RDVHATVSVLGCJR-CABCVRRESA-N 1 0 345.487 2.596 10 70 EFIERO CCC[C@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)[NH+](C)C ZINC000159546177 527991075 /nfs/dbraw/zinc/99/10/75/527991075.db2.gz IYLSUKXOBQSIJW-CYBMUJFWSA-N 1 0 334.445 2.924 10 70 EFIERO CCC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160077522 528125276 /nfs/dbraw/zinc/12/52/76/528125276.db2.gz OEOJKRUBBCYORH-RDJZCZTQSA-N 1 0 336.476 2.902 10 70 EFIERO CC1CC[NH+](CCNC(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000160273721 528245777 /nfs/dbraw/zinc/24/57/77/528245777.db2.gz DVPKRSAFUZLOKW-MRXNPFEDSA-N 1 0 337.489 2.563 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000159927992 529024356 /nfs/dbraw/zinc/02/43/56/529024356.db2.gz NYFIZNULRGKVJT-CYBMUJFWSA-N 1 0 325.403 2.806 10 70 EFIERO CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159538039 529141234 /nfs/dbraw/zinc/14/12/34/529141234.db2.gz YRAUKBWLAUZOLV-QFBILLFUSA-N 1 0 329.488 2.769 10 70 EFIERO CC[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1Cl ZINC000160436363 529489783 /nfs/dbraw/zinc/48/97/83/529489783.db2.gz VSBWGRFGKOPVMN-ZDUSSCGKSA-N 1 0 325.840 2.630 10 70 EFIERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000161316821 529990380 /nfs/dbraw/zinc/99/03/80/529990380.db2.gz LLYRKOBWKRPGFX-ZNMIVQPWSA-N 1 0 337.261 2.763 10 70 EFIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cnn(Cc2ccccc2)c1 ZINC000159555971 533381279 /nfs/dbraw/zinc/38/12/79/533381279.db2.gz RLOTXLCPNYAUCH-MRXNPFEDSA-N 1 0 326.444 2.595 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000160269622 225374695 /nfs/dbraw/zinc/37/46/95/225374695.db2.gz JUXUFGDVUJJWAS-ZUGFLLEASA-N 1 0 337.489 2.666 10 70 EFIERO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000160810619 544809098 /nfs/dbraw/zinc/80/90/98/544809098.db2.gz UEIFWWUDBBSXQY-RDTXWAMCSA-N 1 0 336.501 2.554 10 70 EFIERO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(Br)cc1 ZINC000161157458 544811506 /nfs/dbraw/zinc/81/15/06/544811506.db2.gz LQYBGTXMNWVRFU-UHFFFAOYSA-N 1 0 334.279 2.706 10 70 EFIERO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000159645391 544797256 /nfs/dbraw/zinc/79/72/56/544797256.db2.gz BFZXAWNKUHMTFT-DZKIICNBSA-N 1 0 325.474 2.682 10 70 EFIERO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000159667476 544798295 /nfs/dbraw/zinc/79/82/95/544798295.db2.gz ZURJNSSJROJSKI-CABCVRRESA-N 1 0 335.492 2.941 10 70 EFIERO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000160999456 277388298 /nfs/dbraw/zinc/38/82/98/277388298.db2.gz AIDLFGPGZNQRHJ-ZWKOTPCHSA-N 1 0 347.507 2.568 10 70 EFIERO C[C@H]1C[C@H](NC(=O)N2CCCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159977201 280003034 /nfs/dbraw/zinc/00/30/34/280003034.db2.gz ABBRWFFQYRLRSE-RDJZCZTQSA-N 1 0 333.501 2.798 10 70 EFIERO CCC(CC)[C@@H](CNC(=O)N(C[C@H](C)O)C(C)C)[NH+]1CCCC1 ZINC000159901853 310692732 /nfs/dbraw/zinc/69/27/32/310692732.db2.gz BJBOXAFTCPPION-DOTOQJQBSA-N 1 0 327.513 2.688 10 70 EFIERO CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21)[NH+]1CCCC1 ZINC000160816852 310702917 /nfs/dbraw/zinc/70/29/17/310702917.db2.gz WNKWYYJLYBLZDS-SZMVWBNQSA-N 1 0 345.487 2.971 10 70 EFIERO CC(C)[C@H](O)CC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000161097263 473206018 /nfs/dbraw/zinc/20/60/18/473206018.db2.gz IDXOXQDUSCWXNJ-WMLDXEAASA-N 1 0 338.879 2.952 10 70 EFIERO CCC[C@@H](C(=O)Nc1cccc(I)c1)[NH+](C)C ZINC000161184638 473215342 /nfs/dbraw/zinc/21/53/42/473215342.db2.gz IBSAKLMNZYCPJR-LBPRGKRZSA-N 1 0 346.212 2.960 10 70 EFIERO CCc1cccc(CC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000161196030 473215769 /nfs/dbraw/zinc/21/57/69/473215769.db2.gz DDYZPLHAASEVIJ-QKLQHJQFSA-N 1 0 344.499 2.892 10 70 EFIERO CN(CC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)Cc1ccc(F)cc1 ZINC000161201187 473217504 /nfs/dbraw/zinc/21/75/04/473217504.db2.gz KQKBFRTXXPOIRQ-SFHVURJKSA-N 1 0 344.478 2.946 10 70 EFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000161328370 473226205 /nfs/dbraw/zinc/22/62/05/473226205.db2.gz KAKRXYSLHONERJ-OAHLLOKOSA-N 1 0 330.432 2.565 10 70 EFIERO CCc1ccccc1NC(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161332793 473227341 /nfs/dbraw/zinc/22/73/41/473227341.db2.gz MBWYZUOUCJYVBB-MRXNPFEDSA-N 1 0 341.459 2.679 10 70 EFIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC000161342185 473228267 /nfs/dbraw/zinc/22/82/67/473228267.db2.gz XUOKCORBZSGVCT-HNNXBMFYSA-N 1 0 330.432 2.565 10 70 EFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC000161342066 473228601 /nfs/dbraw/zinc/22/86/01/473228601.db2.gz XUOKCORBZSGVCT-OAHLLOKOSA-N 1 0 330.432 2.565 10 70 EFIERO CCC[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)cc1)[NH+](C)C ZINC000161375605 473230699 /nfs/dbraw/zinc/23/06/99/473230699.db2.gz FDXJCPUYLKNPJI-AWEZNQCLSA-N 1 0 332.366 2.974 10 70 EFIERO CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161383639 473231133 /nfs/dbraw/zinc/23/11/33/473231133.db2.gz MBDDQJHTAKJAEB-PBWFPOADSA-N 1 0 342.361 2.869 10 70 EFIERO CCCN(Cc1c(C)nn(C)c1OC)C[C@H]1COc2ccccc2O1 ZINC000161422357 473234573 /nfs/dbraw/zinc/23/45/73/473234573.db2.gz JXRIEOOVYRJJJR-HNNXBMFYSA-N 1 0 345.443 2.789 10 70 EFIERO CN(CC[NH+]1CCC(Cn2cccn2)CC1)Cc1ccc(F)cc1 ZINC000159441521 473028666 /nfs/dbraw/zinc/02/86/66/473028666.db2.gz JPPCIFTXAPFRON-UHFFFAOYSA-N 1 0 330.451 2.866 10 70 EFIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OCC(C)C ZINC000159509473 473034184 /nfs/dbraw/zinc/03/41/84/473034184.db2.gz WWBIGVSSGMXPHQ-HOCLYGCPSA-N 1 0 334.460 2.816 10 70 EFIERO CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159535258 473037180 /nfs/dbraw/zinc/03/71/80/473037180.db2.gz SDSYUPMPMQRYCX-WCQYABFASA-N 1 0 340.851 2.833 10 70 EFIERO CC(C)[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@@H](C)O ZINC000159547347 473037266 /nfs/dbraw/zinc/03/72/66/473037266.db2.gz HPQBYZHSXNHRQJ-SNVBAGLBSA-N 1 0 326.238 2.917 10 70 EFIERO O=C(c1csc(-c2ccc(F)cc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159644693 473046626 /nfs/dbraw/zinc/04/66/26/473046626.db2.gz BKDDEUADSZAMTH-OKILXGFUSA-N 1 0 331.416 2.916 10 70 EFIERO C[C@@H](COc1ccccc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000159633157 473046879 /nfs/dbraw/zinc/04/68/79/473046879.db2.gz RUKCBZFPZMXQAM-HKUYNNGSSA-N 1 0 340.467 2.991 10 70 EFIERO CC(C)N(CCc1nccs1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159659474 473048153 /nfs/dbraw/zinc/04/81/53/473048153.db2.gz FEKIPGKQCPONPX-UONOGXRCSA-N 1 0 336.505 2.731 10 70 EFIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159661110 473049305 /nfs/dbraw/zinc/04/93/05/473049305.db2.gz QAUDZLWROONFJV-INIZCTEOSA-N 1 0 343.475 2.915 10 70 EFIERO CNC(=O)c1cccc(CCC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000159663510 473049990 /nfs/dbraw/zinc/04/99/90/473049990.db2.gz IOTMIDLNGYCSKA-UHFFFAOYSA-N 1 0 347.503 2.604 10 70 EFIERO COC(=O)CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)CC(C)C ZINC000159710311 473054271 /nfs/dbraw/zinc/05/42/71/473054271.db2.gz WOTGWVHHOYEHKK-UHFFFAOYSA-N 1 0 347.415 2.766 10 70 EFIERO NC(=O)CC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000159730118 473055649 /nfs/dbraw/zinc/05/56/49/473055649.db2.gz CPXZYVSVYGRRKU-UHFFFAOYSA-N 1 0 327.403 2.975 10 70 EFIERO Cc1nccn1CCCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000159816963 473063351 /nfs/dbraw/zinc/06/33/51/473063351.db2.gz LNWJBEWDRPTCFA-UHFFFAOYSA-N 1 0 338.459 2.894 10 70 EFIERO O=C(Nc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159827292 473064299 /nfs/dbraw/zinc/06/42/99/473064299.db2.gz PGDSQLBADXJSTQ-CALCHBBNSA-N 1 0 349.434 2.905 10 70 EFIERO CCCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OCC ZINC000159852684 473065862 /nfs/dbraw/zinc/06/58/62/473065862.db2.gz AOHDLFWLJDIKFN-IYBDPMFKSA-N 1 0 332.444 2.841 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000159855457 473067502 /nfs/dbraw/zinc/06/75/02/473067502.db2.gz MXGJYEZFRUCOGQ-LLVKDONJSA-N 1 0 335.395 2.559 10 70 EFIERO CNc1ncc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000159939955 473074197 /nfs/dbraw/zinc/07/41/97/473074197.db2.gz GITIILNYKXUYGU-AWEZNQCLSA-N 1 0 330.457 2.579 10 70 EFIERO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC1(O)CCOCC1 ZINC000160323943 473108689 /nfs/dbraw/zinc/10/86/89/473108689.db2.gz CRVKUBAPVGDWCJ-UHFFFAOYSA-N 1 0 347.434 2.622 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000160381758 473113829 /nfs/dbraw/zinc/11/38/29/473113829.db2.gz PRVWOLOEHBASJR-LJQANCHMSA-N 1 0 340.471 2.651 10 70 EFIERO COc1cc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc(OC)c1 ZINC000160391586 473116614 /nfs/dbraw/zinc/11/66/14/473116614.db2.gz INCSYBYYDUIKHD-QGZVFWFLSA-N 1 0 348.487 2.873 10 70 EFIERO CC[C@H](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160513594 473135277 /nfs/dbraw/zinc/13/52/77/473135277.db2.gz LIOGVAOFDZPAEW-WDSOQIARSA-N 1 0 332.488 2.779 10 70 EFIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160531832 473138197 /nfs/dbraw/zinc/13/81/97/473138197.db2.gz NIDKHEMZSNPKHN-QWRGUYRKSA-N 1 0 331.243 2.958 10 70 EFIERO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160559627 473141689 /nfs/dbraw/zinc/14/16/89/473141689.db2.gz HNRLNIUOKHHNFS-LTVCHDBBSA-N 1 0 342.483 2.980 10 70 EFIERO COC(=O)c1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160578139 473144351 /nfs/dbraw/zinc/14/43/51/473144351.db2.gz FVAHLWIVLALFLK-GOSISDBHSA-N 1 0 346.471 2.642 10 70 EFIERO Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C2CC2)o1 ZINC000160714003 473165951 /nfs/dbraw/zinc/16/59/51/473165951.db2.gz KLTYICVPAPEVQC-UZLBHIALSA-N 1 0 346.471 2.706 10 70 EFIERO Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C2CC2)o1 ZINC000160713873 473166065 /nfs/dbraw/zinc/16/60/65/473166065.db2.gz KLTYICVPAPEVQC-OXQOHEQNSA-N 1 0 346.471 2.706 10 70 EFIERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](C)C3)cn2)CC1 ZINC000160760001 473172367 /nfs/dbraw/zinc/17/23/67/473172367.db2.gz PIVFMQRKTPUJTN-SJLPKXTDSA-N 1 0 344.503 2.666 10 70 EFIERO Cn1c(CN2CC[NH+](C3CCCC3)CC2)nnc1-c1ccccc1 ZINC000160760166 473172855 /nfs/dbraw/zinc/17/28/55/473172855.db2.gz IHKPQLBJKPCUNY-UHFFFAOYSA-N 1 0 325.460 2.542 10 70 EFIERO COC(=O)c1ccc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000160800675 473176537 /nfs/dbraw/zinc/17/65/37/473176537.db2.gz YBYJXOHUCNIEPE-IBGZPJMESA-N 1 0 340.427 2.730 10 70 EFIERO C[C@]1(CNc2cn[nH]c(=O)c2Cl)CCC[N@@H+]1Cc1ccccc1 ZINC000160805294 473177688 /nfs/dbraw/zinc/17/76/88/473177688.db2.gz QWHWRMCZASKFSU-QGZVFWFLSA-N 1 0 332.835 2.890 10 70 EFIERO CC(C)(C)O[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160816322 473178630 /nfs/dbraw/zinc/17/86/30/473178630.db2.gz PSXKGYVCSDUTBO-ZWKOTPCHSA-N 1 0 348.487 2.506 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)c2c(C)onc2-c2ccncc2)CC1 ZINC000160871110 473186012 /nfs/dbraw/zinc/18/60/12/473186012.db2.gz VWEXPYJGKGIJCF-UHFFFAOYSA-N 1 0 342.443 2.897 10 70 EFIERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160880688 473187045 /nfs/dbraw/zinc/18/70/45/473187045.db2.gz ZOGYVLVVWNCIDN-ZWKOTPCHSA-N 1 0 335.536 2.830 10 70 EFIERO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000161033930 473200854 /nfs/dbraw/zinc/20/08/54/473200854.db2.gz VQYDTLOBCQIZFU-MRXNPFEDSA-N 1 0 325.416 2.614 10 70 EFIERO CCN(C)C(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161067169 473203654 /nfs/dbraw/zinc/20/36/54/473203654.db2.gz RLHAFMHYDMTHNE-LSDHHAIUSA-N 1 0 344.377 2.682 10 70 EFIERO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159781619 526791418 /nfs/dbraw/zinc/79/14/18/526791418.db2.gz DPQQLXIIYBTOOG-PBHICJAKSA-N 1 0 349.862 2.681 10 70 EFIERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000159814129 528143982 /nfs/dbraw/zinc/14/39/82/528143982.db2.gz OXSURRLKCNABCA-SMDDNHRTSA-N 1 0 340.265 2.904 10 70 EFIERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160108399 528231502 /nfs/dbraw/zinc/23/15/02/528231502.db2.gz STJYWQBFYZFSJI-YOEHRIQHSA-N 1 0 335.448 2.706 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000160236695 528264123 /nfs/dbraw/zinc/26/41/23/528264123.db2.gz BDBVCWAVWXBALE-OAGGEKHMSA-N 1 0 337.464 2.607 10 70 EFIERO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000159387674 528607226 /nfs/dbraw/zinc/60/72/26/528607226.db2.gz KIVOIMGRJQWESI-MRXNPFEDSA-N 1 0 348.468 2.650 10 70 EFIERO CC(C)[C@H](CNC(=O)CC/C=C/c1ccccc1)[NH+]1CCN(C)CC1 ZINC000160047697 528998473 /nfs/dbraw/zinc/99/84/73/528998473.db2.gz AAZJVNBEQUZVSL-OEMHODTASA-N 1 0 343.515 2.868 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000159569060 529028996 /nfs/dbraw/zinc/02/89/96/529028996.db2.gz TUBCOXFYUGJEOS-UHFFFAOYSA-N 1 0 345.365 2.822 10 70 EFIERO CC[NH+]1CCN(CCC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159538337 529142357 /nfs/dbraw/zinc/14/23/57/529142357.db2.gz YRAUKBWLAUZOLV-APWZRJJASA-N 1 0 329.488 2.769 10 70 EFIERO CCN1CC[NH+](C[C@H](C)CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC000160111984 529147839 /nfs/dbraw/zinc/14/78/39/529147839.db2.gz KARBTVWZKYUCEV-BQHJZSHBSA-N 1 0 343.515 2.870 10 70 EFIERO CCc1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)oc1CC ZINC000161427935 529520445 /nfs/dbraw/zinc/52/04/45/529520445.db2.gz QAKKIQNGMBEYDV-UHFFFAOYSA-N 1 0 343.427 2.817 10 70 EFIERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000161316563 283562454 /nfs/dbraw/zinc/56/24/54/283562454.db2.gz LLYRKOBWKRPGFX-RRFJBIMHSA-N 1 0 337.261 2.763 10 70 EFIERO CCC[C@@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000159438064 206245627 /nfs/dbraw/zinc/24/56/27/206245627.db2.gz IAYZEBPDGISPEG-KRWDZBQOSA-N 1 0 328.460 2.999 10 70 EFIERO Cc1ccc(C(=O)CC[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000159415965 206245934 /nfs/dbraw/zinc/24/59/34/206245934.db2.gz FTOJRGALVFSTNP-UHFFFAOYSA-N 1 0 340.471 2.509 10 70 EFIERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000159814375 206266076 /nfs/dbraw/zinc/26/60/76/206266076.db2.gz OXSURRLKCNABCA-BXUZGUMPSA-N 1 0 340.265 2.904 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)NCc2ccnc(OC(C)C)c2)CC1 ZINC000159879082 206268650 /nfs/dbraw/zinc/26/86/50/206268650.db2.gz FOMYIUJJBPGQJN-UHFFFAOYSA-N 1 0 348.491 2.790 10 70 EFIERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(Cl)c2F)CC1 ZINC000159870831 206268809 /nfs/dbraw/zinc/26/88/09/206268809.db2.gz SOIAVDAXNNQOTD-GFCCVEGCSA-N 1 0 342.842 2.644 10 70 EFIERO COc1cc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)ccc1OCC(C)C ZINC000160015070 206274953 /nfs/dbraw/zinc/27/49/53/206274953.db2.gz DTFKGAOHIUVOJC-CQSZACIVSA-N 1 0 349.475 2.924 10 70 EFIERO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000160110308 206278814 /nfs/dbraw/zinc/27/88/14/206278814.db2.gz MSNBTEVLADRCGF-INIZCTEOSA-N 1 0 338.879 2.581 10 70 EFIERO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000160269654 206288363 /nfs/dbraw/zinc/28/83/63/206288363.db2.gz JXNXEDBLCNOXSR-FUHWJXTLSA-N 1 0 345.443 2.556 10 70 EFIERO CC[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000160481169 206299477 /nfs/dbraw/zinc/29/94/77/206299477.db2.gz OBKCBMWTNGAEAO-MJGOQNOKSA-N 1 0 332.488 2.842 10 70 EFIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000160511598 206302130 /nfs/dbraw/zinc/30/21/30/206302130.db2.gz RDROWAIEXWOFBR-OAHLLOKOSA-N 1 0 343.265 2.789 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000160526102 206302426 /nfs/dbraw/zinc/30/24/26/206302426.db2.gz ZNAYFZYIBHUIEB-CQSZACIVSA-N 1 0 347.434 2.561 10 70 EFIERO CCC[C@@H](C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)[NH+](C)C ZINC000160657928 206307543 /nfs/dbraw/zinc/30/75/43/206307543.db2.gz XDZWIPGKHKRFBE-INIZCTEOSA-N 1 0 335.448 2.990 10 70 EFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000160816646 206314458 /nfs/dbraw/zinc/31/44/58/206314458.db2.gz DKSVBCGAVNQXLR-HZPDHXFCSA-N 1 0 339.505 2.807 10 70 EFIERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161003038 206322283 /nfs/dbraw/zinc/32/22/83/206322283.db2.gz QCXNUFPFIPXVAY-IAGOWNOFSA-N 1 0 345.487 2.596 10 70 EFIERO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161157903 206331821 /nfs/dbraw/zinc/33/18/21/206331821.db2.gz ZTWCTFUQJUJMQG-KBXCAEBGSA-N 1 0 328.460 2.848 10 70 EFIERO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161139085 206329547 /nfs/dbraw/zinc/32/95/47/206329547.db2.gz FZXPBDGXAGSAQO-GPMSIDNRSA-N 1 0 326.444 2.955 10 70 EFIERO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161157799 206330917 /nfs/dbraw/zinc/33/09/17/206330917.db2.gz ZTWCTFUQJUJMQG-KSSFIOAISA-N 1 0 328.460 2.848 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2cccc(F)c2)CCCC1 ZINC000160624625 206305609 /nfs/dbraw/zinc/30/56/09/206305609.db2.gz KYFXTKGWCBJKAS-SFHVURJKSA-N 1 0 348.462 2.601 10 70 EFIERO COc1ccccc1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000160616082 206305922 /nfs/dbraw/zinc/30/59/22/206305922.db2.gz BVZCFINTUWCWSM-RDTXWAMCSA-N 1 0 343.427 2.723 10 70 EFIERO Cc1ccc(C2(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)CCOCC2)cc1 ZINC000161286215 206339405 /nfs/dbraw/zinc/33/94/05/206339405.db2.gz DOUVIDRZHIRHKH-HKUYNNGSSA-N 1 0 344.499 2.888 10 70 EFIERO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000161297738 206340983 /nfs/dbraw/zinc/34/09/83/206340983.db2.gz QZVWDMLONMHUDO-KRWDZBQOSA-N 1 0 331.460 2.884 10 70 EFIERO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000161405921 206346611 /nfs/dbraw/zinc/34/66/11/206346611.db2.gz QSWQVSVCIURFGH-AWEZNQCLSA-N 1 0 346.452 2.566 10 70 EFIERO O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CCCC[C@H]1O)CC2 ZINC000160617470 284931237 /nfs/dbraw/zinc/93/12/37/284931237.db2.gz SIJKLBCSQOUODN-JIDAIPKRSA-N 1 0 328.456 2.960 10 70 EFIERO Cc1noc(C)c1[C@@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160923105 225506219 /nfs/dbraw/zinc/50/62/19/225506219.db2.gz HFUUNERHCOCDCI-JQRITLKVSA-N 1 0 336.480 2.815 10 70 EFIERO C[C@@H](c1cccc(F)c1)N1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000159468432 544796835 /nfs/dbraw/zinc/79/68/35/544796835.db2.gz QDWAEEQVXGFBRS-LPHOPBHVSA-N 1 0 336.451 2.700 10 70 EFIERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159611832 544797816 /nfs/dbraw/zinc/79/78/16/544797816.db2.gz DGXQNQJIYSOBGZ-HXUWFJFHSA-N 1 0 335.451 3.000 10 70 EFIERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CSCCS1 ZINC000159993339 276764456 /nfs/dbraw/zinc/76/44/56/276764456.db2.gz YDEUICNSZNFKBI-HZPDHXFCSA-N 1 0 338.542 2.514 10 70 EFIERO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C[C@H](C)O)C(C)C ZINC000159438581 310687122 /nfs/dbraw/zinc/68/71/22/310687122.db2.gz HWIOYCCXPFFBAM-INIZCTEOSA-N 1 0 335.492 2.829 10 70 EFIERO CCc1cccc(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000159571368 310688388 /nfs/dbraw/zinc/68/83/88/310688388.db2.gz ACPDHJPCBXMINJ-UHFFFAOYSA-N 1 0 344.499 2.895 10 70 EFIERO C[C@H](COc1ccccc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000159633054 310689368 /nfs/dbraw/zinc/68/93/68/310689368.db2.gz RUKCBZFPZMXQAM-IEBWSBKVSA-N 1 0 340.467 2.991 10 70 EFIERO CCC(CC)[C@H](CNC(=O)N(C[C@H](C)O)C(C)C)[NH+]1CCCC1 ZINC000159901983 310692954 /nfs/dbraw/zinc/69/29/54/310692954.db2.gz BJBOXAFTCPPION-RDJZCZTQSA-N 1 0 327.513 2.688 10 70 EFIERO CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1COc2ccccc21)[NH+]1CCCC1 ZINC000160817117 310703035 /nfs/dbraw/zinc/70/30/35/310703035.db2.gz WNKWYYJLYBLZDS-NJAFHUGGSA-N 1 0 345.487 2.971 10 70 EFIERO CCC[C@H](C(=O)Nc1cccc(I)c1)[NH+](C)C ZINC000161184776 473216010 /nfs/dbraw/zinc/21/60/10/473216010.db2.gz IBSAKLMNZYCPJR-GFCCVEGCSA-N 1 0 346.212 2.960 10 70 EFIERO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000161266249 473221721 /nfs/dbraw/zinc/22/17/21/473221721.db2.gz NAYDRYFIGKATHL-AWEZNQCLSA-N 1 0 345.422 2.645 10 70 EFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000161266104 473222018 /nfs/dbraw/zinc/22/20/18/473222018.db2.gz NAYDRYFIGKATHL-CQSZACIVSA-N 1 0 345.422 2.645 10 70 EFIERO Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(C[NH3+])o3)[C@@H](C)CO2)c1 ZINC000161274310 473222596 /nfs/dbraw/zinc/22/25/96/473222596.db2.gz FBDGAADMLYGWSJ-KBXCAEBGSA-N 1 0 328.412 2.957 10 70 EFIERO CC[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCN1CC(F)F ZINC000161309595 473225230 /nfs/dbraw/zinc/22/52/30/473225230.db2.gz TZWUKLFVDFQRFY-QGZVFWFLSA-N 1 0 343.437 2.919 10 70 EFIERO CN(C(=O)COc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161436509 473235227 /nfs/dbraw/zinc/23/52/27/473235227.db2.gz IPUHDIKAQUKWIG-FUNVUKJBSA-N 1 0 326.799 2.599 10 70 EFIERO CN(C(=O)CCc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161440733 473235772 /nfs/dbraw/zinc/23/57/72/473235772.db2.gz KXXKSUUPHAPTKG-PBWFPOADSA-N 1 0 329.469 2.970 10 70 EFIERO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C[C@@H](C)O)C(C)C ZINC000159438453 473028326 /nfs/dbraw/zinc/02/83/26/473028326.db2.gz HWIOYCCXPFFBAM-MRXNPFEDSA-N 1 0 335.492 2.829 10 70 EFIERO O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159493509 473032435 /nfs/dbraw/zinc/03/24/35/473032435.db2.gz LDDDZMMNKYKZSB-TXEJJXNPSA-N 1 0 330.819 2.697 10 70 EFIERO C[C@@H](COc1ccccc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000159632932 473046460 /nfs/dbraw/zinc/04/64/60/473046460.db2.gz RUKCBZFPZMXQAM-PKOBYXMFSA-N 1 0 340.467 2.991 10 70 EFIERO CCOC(=O)CCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000159651839 473048385 /nfs/dbraw/zinc/04/83/85/473048385.db2.gz RNRDLFWBWMUIKE-INIZCTEOSA-N 1 0 347.459 2.646 10 70 EFIERO C[NH+](C)C[C@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159669982 473049962 /nfs/dbraw/zinc/04/99/62/473049962.db2.gz IHZVJEGHGMBDEG-LLVKDONJSA-N 1 0 337.265 2.709 10 70 EFIERO C[NH+]1CCC(CCNC(=O)N2CCC(C3CCOCC3)CC2)CC1 ZINC000159772285 473058883 /nfs/dbraw/zinc/05/88/83/473058883.db2.gz ZLBHNWBUODMHGQ-UHFFFAOYSA-N 1 0 337.508 2.567 10 70 EFIERO CC(=O)N(C)C1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159785414 473060168 /nfs/dbraw/zinc/06/01/68/473060168.db2.gz NAAIHTQMGZZURI-QGZVFWFLSA-N 1 0 349.862 2.776 10 70 EFIERO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccccc1 ZINC000159828620 473064674 /nfs/dbraw/zinc/06/46/74/473064674.db2.gz YKEIMNGCFWUDEX-HUUCEWRRSA-N 1 0 335.411 2.945 10 70 EFIERO Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000159897783 473069966 /nfs/dbraw/zinc/06/99/66/473069966.db2.gz GVSQLQGBGXXTEU-IBGZPJMESA-N 1 0 330.472 2.755 10 70 EFIERO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)n1-c1nccs1 ZINC000159908504 473071053 /nfs/dbraw/zinc/07/10/53/473071053.db2.gz ULBVOSKOFNHCIV-OKILXGFUSA-N 1 0 330.457 2.517 10 70 EFIERO CC[C@H]1CN(Cc2noc(C3CCCCC3)n2)CC[N@@H+]1CCOC ZINC000159927488 473073232 /nfs/dbraw/zinc/07/32/32/473073232.db2.gz GIEIPVRCFXTBLU-INIZCTEOSA-N 1 0 336.480 2.660 10 70 EFIERO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000159925115 473073521 /nfs/dbraw/zinc/07/35/21/473073521.db2.gz CZZNZQZCRYKRMK-CVEARBPZSA-N 1 0 343.475 2.952 10 70 EFIERO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000160238766 473099523 /nfs/dbraw/zinc/09/95/23/473099523.db2.gz BUANUMAFTSVABD-SFHVURJKSA-N 1 0 338.455 2.984 10 70 EFIERO CCc1nn(C)c(CC)c1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000160372907 473113731 /nfs/dbraw/zinc/11/37/31/473113731.db2.gz FNBQMVUTJQXLGJ-UHFFFAOYSA-N 1 0 349.523 2.609 10 70 EFIERO COc1ccccc1SCC(=O)N(C)c1cccnc1N(C)C ZINC000160378079 473113871 /nfs/dbraw/zinc/11/38/71/473113871.db2.gz ULQPOOOOJKBZFQ-UHFFFAOYSA-N 1 0 331.441 2.911 10 70 EFIERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160439823 473125302 /nfs/dbraw/zinc/12/53/02/473125302.db2.gz IEWINFMAMJYUCN-INIZCTEOSA-N 1 0 333.480 2.563 10 70 EFIERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160440531 473126202 /nfs/dbraw/zinc/12/62/02/473126202.db2.gz JDGBVZRHDTUZED-QGZVFWFLSA-N 1 0 347.507 2.574 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(Br)c1 ZINC000160448781 473126858 /nfs/dbraw/zinc/12/68/58/473126858.db2.gz LIWSQMVEGUMBDS-CQSZACIVSA-N 1 0 340.265 2.694 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1OCCc2ccccc21 ZINC000160499651 473133452 /nfs/dbraw/zinc/13/34/52/473133452.db2.gz CJWVVRXLEOERKL-IEBWSBKVSA-N 1 0 330.472 2.927 10 70 EFIERO CC[N@H+](Cc1ccc(C(=O)NCCc2cnn(C)c2)cc1)C(C)C ZINC000160507192 473135819 /nfs/dbraw/zinc/13/58/19/473135819.db2.gz GJGXSWQIUNUPNJ-UHFFFAOYSA-N 1 0 328.460 2.623 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([S@@](C)=O)cc2)CC1 ZINC000160573311 473145436 /nfs/dbraw/zinc/14/54/36/473145436.db2.gz AUXUCQRPSAAEKK-BLOHKPANSA-N 1 0 337.489 2.666 10 70 EFIERO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccc(Br)cc2)CC1 ZINC000160674822 473158577 /nfs/dbraw/zinc/15/85/77/473158577.db2.gz UIAXBGUYVNIPGN-GASCZTMLSA-N 1 0 349.272 2.834 10 70 EFIERO O=C(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)Nc1ccc(F)cc1 ZINC000160908317 473189968 /nfs/dbraw/zinc/18/99/68/473189968.db2.gz INPIVAVXKCNVIL-OAHLLOKOSA-N 1 0 342.418 2.983 10 70 EFIERO CCCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160941821 473193619 /nfs/dbraw/zinc/19/36/19/473193619.db2.gz HEHHFFDCDBBMDR-HZPDHXFCSA-N 1 0 332.444 2.824 10 70 EFIERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160955872 473194395 /nfs/dbraw/zinc/19/43/95/473194395.db2.gz SADRDSFORXJAKB-INIZCTEOSA-N 1 0 341.455 2.579 10 70 EFIERO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCCN1c1cccc(F)c1 ZINC000161076914 473204415 /nfs/dbraw/zinc/20/44/15/473204415.db2.gz GQJIFWIUGIOBKQ-XFQXTVEOSA-N 1 0 346.446 2.948 10 70 EFIERO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000161235259 500784190 /nfs/dbraw/zinc/78/41/90/500784190.db2.gz MHMMKSIDTBEVPW-CYBMUJFWSA-N 1 0 332.835 2.658 10 70 EFIERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000160911345 522099272 /nfs/dbraw/zinc/09/92/72/522099272.db2.gz KXFGHCGWQMVSLW-ROUUACIJSA-N 1 0 337.508 2.707 10 70 EFIERO C[C@@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000159662526 524665127 /nfs/dbraw/zinc/66/51/27/524665127.db2.gz NCKRIZWJMSOBQB-INIZCTEOSA-N 1 0 337.508 2.567 10 70 EFIERO O=C(c1csc(Cc2ccccc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160174276 526904919 /nfs/dbraw/zinc/90/49/19/526904919.db2.gz MDRUFJYLMJFYSD-GASCZTMLSA-N 1 0 327.453 2.700 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)c2ccc(F)cc2F)CC1 ZINC000159928119 529026511 /nfs/dbraw/zinc/02/65/11/529026511.db2.gz NYFIZNULRGKVJT-ZDUSSCGKSA-N 1 0 325.403 2.806 10 70 EFIERO CCO[C@@H](C)c1nc(CN2CC[NH+](C[C@@](C)(O)CC)CC2)cs1 ZINC000161283105 529103202 /nfs/dbraw/zinc/10/32/02/529103202.db2.gz QMPOHRBJCVPMIK-YOEHRIQHSA-N 1 0 341.521 2.519 10 70 EFIERO CC[C@@H](COC)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000159612837 529517601 /nfs/dbraw/zinc/51/76/01/529517601.db2.gz GPXLGQOMJMVSBA-QBUWPKIASA-N 1 0 345.487 2.906 10 70 EFIERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000160119002 529696000 /nfs/dbraw/zinc/69/60/00/529696000.db2.gz ONLXMXCQDUNADE-CQSZACIVSA-N 1 0 342.530 2.950 10 70 EFIERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000161349549 529990337 /nfs/dbraw/zinc/99/03/37/529990337.db2.gz OLHKNECZYXTHQX-RRFJBIMHSA-N 1 0 337.261 2.763 10 70 EFIERO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161062413 295824870 /nfs/dbraw/zinc/82/48/70/295824870.db2.gz GIOHKJMOINCGBK-FJIDUMEYSA-N 1 0 347.503 2.604 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000159887639 239037621 /nfs/dbraw/zinc/03/76/21/239037621.db2.gz FDIQHKIZRNKNKM-UHFFFAOYSA-N 1 0 342.447 2.509 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000161158398 239065004 /nfs/dbraw/zinc/06/50/04/239065004.db2.gz XDSGZNFZPGWYPP-UHFFFAOYSA-N 1 0 342.447 2.509 10 70 EFIERO C[C@@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000160269939 296080058 /nfs/dbraw/zinc/08/00/58/296080058.db2.gz PHTCPKXXNBZLND-MRXNPFEDSA-N 1 0 341.459 2.718 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000160236954 284798820 /nfs/dbraw/zinc/79/88/20/284798820.db2.gz BDBVCWAVWXBALE-PMPSAXMXSA-N 1 0 337.464 2.607 10 70 EFIERO COc1cccc(N2CC[C@H](C[NH2+]C3CCC(NC(C)=O)CC3)C2)c1 ZINC000161404667 533584633 /nfs/dbraw/zinc/58/46/33/533584633.db2.gz YUDWDIWKZWKGKN-WWDZGPRUSA-N 1 0 345.487 2.558 10 70 EFIERO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160547480 286498838 /nfs/dbraw/zinc/49/88/38/286498838.db2.gz LBSRDLQBOYNPMO-IAGOWNOFSA-N 1 0 328.460 2.767 10 70 EFIERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC000159412413 225211595 /nfs/dbraw/zinc/21/15/95/225211595.db2.gz UZQBDPMPHLLVBT-ZDUSSCGKSA-N 1 0 331.441 2.733 10 70 EFIERO CN(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(F)c1 ZINC000159994332 225316947 /nfs/dbraw/zinc/31/69/47/225316947.db2.gz XOGHMJZLBGZMHX-MRXNPFEDSA-N 1 0 343.446 2.794 10 70 EFIERO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161370838 225614035 /nfs/dbraw/zinc/61/40/35/225614035.db2.gz ZWIBDSHWLRNXQD-SMDDNHRTSA-N 1 0 325.250 2.715 10 70 EFIERO COCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)o1 ZINC000160099296 544801714 /nfs/dbraw/zinc/80/17/14/544801714.db2.gz RYWJKGCHQMMUIW-UHFFFAOYSA-N 1 0 343.427 2.739 10 70 EFIERO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159515372 544796694 /nfs/dbraw/zinc/79/66/94/544796694.db2.gz FHZGZGONHOQPSQ-OIISXLGYSA-N 1 0 333.476 2.837 10 70 EFIERO C[C@H](c1ccccc1)N(CC[N@H+](C)Cc1ccc(F)cc1)CC(N)=O ZINC000160696059 278311166 /nfs/dbraw/zinc/31/11/66/278311166.db2.gz XATUNOJGJIUNPY-MRXNPFEDSA-N 1 0 343.446 2.806 10 70 EFIERO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000161062285 279939545 /nfs/dbraw/zinc/93/95/45/279939545.db2.gz GIOHKJMOINCGBK-XDNAFOTISA-N 1 0 347.503 2.604 10 70 EFIERO Cc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000161322732 280217438 /nfs/dbraw/zinc/21/74/38/280217438.db2.gz KIHSYBICKGAJPL-SWLSCSKDSA-N 1 0 345.487 2.937 10 70 EFIERO Cc1c2ccccc2oc(=O)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161330642 280272170 /nfs/dbraw/zinc/27/21/70/280272170.db2.gz FJEQQIXREMRCNC-WFASDCNBSA-N 1 0 328.412 2.560 10 70 EFIERO CCC[NH+]1CCC(CNC(=O)N(C)CCc2ncc(C)s2)CC1 ZINC000160375929 310698193 /nfs/dbraw/zinc/69/81/93/310698193.db2.gz URKOCYKLWXKZAB-UHFFFAOYSA-N 1 0 338.521 2.757 10 70 EFIERO CC(C)(CCC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160818503 310703029 /nfs/dbraw/zinc/70/30/29/310703029.db2.gz AMIQVLGPDKSJDB-SFHVURJKSA-N 1 0 332.488 2.707 10 70 EFIERO COc1ccc(OC)c(CC[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000161417931 310708959 /nfs/dbraw/zinc/70/89/59/310708959.db2.gz DUGIBZBNSHRGFK-UHFFFAOYSA-N 1 0 328.403 2.565 10 70 EFIERO COC(=O)c1csc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000161111751 473208107 /nfs/dbraw/zinc/20/81/07/473208107.db2.gz YXVNAQPTFNYRAG-UHFFFAOYSA-N 1 0 337.445 2.627 10 70 EFIERO CC[NH+]1CCN(c2ccccc2NC2CCC(NC(C)=O)CC2)CC1 ZINC000161115145 473208334 /nfs/dbraw/zinc/20/83/34/473208334.db2.gz QPMIQJHHGKDNIH-UHFFFAOYSA-N 1 0 344.503 2.688 10 70 EFIERO CSc1nc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c2ccccn21 ZINC000161250568 473220423 /nfs/dbraw/zinc/22/04/23/473220423.db2.gz HMTGKRCAOBTPAA-OLZOCXBDSA-N 1 0 332.473 2.515 10 70 EFIERO COc1ccc(CCC[NH2+]C2CCC3(CC2)OCCO3)cc1OC ZINC000161373368 473230760 /nfs/dbraw/zinc/23/07/60/473230760.db2.gz VGECODJJVGFHLN-UHFFFAOYSA-N 1 0 335.444 2.912 10 70 EFIERO CN(C(=O)CCOc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161373900 473230773 /nfs/dbraw/zinc/23/07/73/473230773.db2.gz XNPVEDNMIAEPJY-PBWFPOADSA-N 1 0 340.826 2.989 10 70 EFIERO Cc1[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)c1C(=O)OC(C)C ZINC000161387482 473231838 /nfs/dbraw/zinc/23/18/38/473231838.db2.gz AYVMPSVPKDRQEC-WFASDCNBSA-N 1 0 349.475 2.655 10 70 EFIERO Cc1noc2nc(C3CC3)cc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c12 ZINC000161393639 473232010 /nfs/dbraw/zinc/23/20/10/473232010.db2.gz JKGZULWIJRFFEQ-PBWFPOADSA-N 1 0 340.427 2.764 10 70 EFIERO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCCN1c1ccccc1F ZINC000161395808 473232622 /nfs/dbraw/zinc/23/26/22/473232622.db2.gz CQBYHBAHVDMDBQ-XFQXTVEOSA-N 1 0 346.446 2.948 10 70 EFIERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[NH+](C)C ZINC000161470809 473238314 /nfs/dbraw/zinc/23/83/14/473238314.db2.gz MDKHDPXEGLNRQP-SUMWQHHRSA-N 1 0 331.460 2.943 10 70 EFIERO COc1cccc(N2CCC[C@@H]([NH2+]C3CCC(NC(C)=O)CC3)C2)c1 ZINC000161506961 473240680 /nfs/dbraw/zinc/24/06/80/473240680.db2.gz MBJYWQZMISYMIS-DAWZGUTISA-N 1 0 345.487 2.701 10 70 EFIERO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)n1Cc1ccccn1 ZINC000159387948 473024512 /nfs/dbraw/zinc/02/45/12/473024512.db2.gz UZMWHKGWZNQTSF-HDICACEKSA-N 1 0 338.455 2.515 10 70 EFIERO O=C(c1ccc(Br)c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159497830 473032398 /nfs/dbraw/zinc/03/23/98/473032398.db2.gz VKNKXQJFYTXGQT-PHIMTYICSA-N 1 0 327.197 2.555 10 70 EFIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OCC(C)C ZINC000159509625 473033835 /nfs/dbraw/zinc/03/38/35/473033835.db2.gz WWBIGVSSGMXPHQ-GDBMZVCRSA-N 1 0 334.460 2.816 10 70 EFIERO CCn1cnnc1C1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159502469 473034809 /nfs/dbraw/zinc/03/48/09/473034809.db2.gz KBEHBESMZLDKKI-UHFFFAOYSA-N 1 0 345.466 2.749 10 70 EFIERO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(SC)cc1OC ZINC000159520640 473035445 /nfs/dbraw/zinc/03/54/45/473035445.db2.gz AQHXPIWNFWBAHO-NEPJUHHUSA-N 1 0 338.473 2.512 10 70 EFIERO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCN1C1CCOCC1 ZINC000159552020 473038290 /nfs/dbraw/zinc/03/82/90/473038290.db2.gz GUAHCXJKWIWYFG-MSOLQXFVSA-N 1 0 332.419 2.573 10 70 EFIERO Cc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1Br ZINC000159549989 473038790 /nfs/dbraw/zinc/03/87/90/473038790.db2.gz YORZAAKZWVOXSX-AAEUAGOBSA-N 1 0 325.250 2.843 10 70 EFIERO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Br ZINC000159597783 473043217 /nfs/dbraw/zinc/04/32/17/473043217.db2.gz MMUHWQYFNRCNQW-WCQYABFASA-N 1 0 325.250 2.843 10 70 EFIERO C[C@@H](O)C1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000159618154 473044215 /nfs/dbraw/zinc/04/42/15/473044215.db2.gz HUZLMAXTXNKVSU-SNVBAGLBSA-N 1 0 338.249 2.918 10 70 EFIERO Cc1ccc(-c2cnc(CCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000159647775 473048513 /nfs/dbraw/zinc/04/85/13/473048513.db2.gz RAGJMENAWSTVGR-CALCHBBNSA-N 1 0 339.439 2.936 10 70 EFIERO Fc1cc(F)c2nccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000159662339 473049761 /nfs/dbraw/zinc/04/97/61/473049761.db2.gz WSLZSLUWLHAXEP-CYBMUJFWSA-N 1 0 333.382 2.672 10 70 EFIERO COc1ccc(O[C@H](C)C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159701591 473052278 /nfs/dbraw/zinc/05/22/78/473052278.db2.gz LLECQEGKPVMSPY-OAHLLOKOSA-N 1 0 334.460 2.891 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCc1ccccc1F ZINC000159733368 473056834 /nfs/dbraw/zinc/05/68/34/473056834.db2.gz NMSHPKRFNFDFSE-UHFFFAOYSA-N 1 0 335.448 2.852 10 70 EFIERO Cc1cccn2c(=O)cc(C[N@@H+](CCc3nccs3)C(C)C)nc12 ZINC000159771875 473059089 /nfs/dbraw/zinc/05/90/89/473059089.db2.gz WEQIYUVCHHPSHO-UHFFFAOYSA-N 1 0 342.468 2.913 10 70 EFIERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccccc1 ZINC000159828503 473064722 /nfs/dbraw/zinc/06/47/22/473064722.db2.gz YKEIMNGCFWUDEX-LSDHHAIUSA-N 1 0 335.411 2.945 10 70 EFIERO Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000159897636 473070608 /nfs/dbraw/zinc/07/06/08/473070608.db2.gz GVSQLQGBGXXTEU-LJQANCHMSA-N 1 0 330.472 2.755 10 70 EFIERO CCOCC[N@@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1C ZINC000159924458 473072836 /nfs/dbraw/zinc/07/28/36/473072836.db2.gz QXKLYBCWFWEHIK-HNNXBMFYSA-N 1 0 336.480 2.660 10 70 EFIERO COC(=O)c1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160015283 473079412 /nfs/dbraw/zinc/07/94/12/473079412.db2.gz FXPCYRDAQDSCAY-MRXNPFEDSA-N 1 0 333.432 2.715 10 70 EFIERO C[C@@]1(O)CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000159998006 473079904 /nfs/dbraw/zinc/07/99/04/473079904.db2.gz OWPKTCZVBQWZHD-HXUWFJFHSA-N 1 0 345.487 2.729 10 70 EFIERO COc1cccc(C2(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CCCC2)c1 ZINC000160225911 473097810 /nfs/dbraw/zinc/09/78/10/473097810.db2.gz BIQOPNQLGINMIB-CALCHBBNSA-N 1 0 328.456 2.860 10 70 EFIERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000160236985 473099235 /nfs/dbraw/zinc/09/92/35/473099235.db2.gz RJLDZYGHCKJZED-GOSISDBHSA-N 1 0 346.450 2.831 10 70 EFIERO CCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1-c1ccc(C)cc1 ZINC000160275608 473103365 /nfs/dbraw/zinc/10/33/65/473103365.db2.gz FPIXRDYXPQBFOP-IYBDPMFKSA-N 1 0 338.455 2.710 10 70 EFIERO O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000160291216 473105442 /nfs/dbraw/zinc/10/54/42/473105442.db2.gz YZRUNFQJVMIZTR-UHFFFAOYSA-N 1 0 345.369 2.538 10 70 EFIERO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160306925 473107641 /nfs/dbraw/zinc/10/76/41/473107641.db2.gz OKPNPSGSYUQLPH-NWDGAFQWSA-N 1 0 340.880 2.685 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000160449620 473127340 /nfs/dbraw/zinc/12/73/40/473127340.db2.gz MGXILIJHLSFNOO-QGZVFWFLSA-N 1 0 346.471 2.627 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000160458413 473128891 /nfs/dbraw/zinc/12/88/91/473128891.db2.gz JEAMIKGCNTUUSV-MRXNPFEDSA-N 1 0 348.491 2.896 10 70 EFIERO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000160535339 473138755 /nfs/dbraw/zinc/13/87/55/473138755.db2.gz QGKROQHJCQGLJP-XIRDDKMYSA-N 1 0 337.460 2.922 10 70 EFIERO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160550190 473140335 /nfs/dbraw/zinc/14/03/35/473140335.db2.gz GKEMUDDMYDCFHH-OKILXGFUSA-N 1 0 344.846 2.801 10 70 EFIERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160547200 473140876 /nfs/dbraw/zinc/14/08/76/473140876.db2.gz LBSRDLQBOYNPMO-SJORKVTESA-N 1 0 328.460 2.767 10 70 EFIERO CN(CC[NH+]1CCCC1)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000160561810 473142028 /nfs/dbraw/zinc/14/20/28/473142028.db2.gz AYZQIWWTQHNQNN-UHFFFAOYSA-N 1 0 339.867 2.594 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(C2CCCC2)no1 ZINC000160576562 473144579 /nfs/dbraw/zinc/14/45/79/473144579.db2.gz UFACAIINTWMFTC-MRXNPFEDSA-N 1 0 348.491 2.896 10 70 EFIERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000160597324 473149114 /nfs/dbraw/zinc/14/91/14/473149114.db2.gz ZMQKSFGBAKHSOX-VXGBXAGGSA-N 1 0 347.385 2.639 10 70 EFIERO COc1ccccc1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000160616192 473152946 /nfs/dbraw/zinc/15/29/46/473152946.db2.gz BVZCFINTUWCWSM-KBXCAEBGSA-N 1 0 343.427 2.723 10 70 EFIERO Cc1ccc2c(CC(=O)NC[C@H](O)C[NH+]3CCCCC3)coc2c1C ZINC000160646956 473156431 /nfs/dbraw/zinc/15/64/31/473156431.db2.gz CDEANMUBQHCXRF-KRWDZBQOSA-N 1 0 344.455 2.555 10 70 EFIERO Cn1nccc1C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000160649861 473156728 /nfs/dbraw/zinc/15/67/28/473156728.db2.gz NJDPXOWAOJTQLV-UHFFFAOYSA-N 1 0 330.407 2.767 10 70 EFIERO CCC[NH+]1CCC(CNC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160660794 473157730 /nfs/dbraw/zinc/15/77/30/473157730.db2.gz RPJYAADZCZTAKH-UHFFFAOYSA-N 1 0 339.461 2.778 10 70 EFIERO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160680153 473160781 /nfs/dbraw/zinc/16/07/81/473160781.db2.gz HMEKHTGYUHUCKZ-HGHGUNKESA-N 1 0 342.483 2.981 10 70 EFIERO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160699308 473163194 /nfs/dbraw/zinc/16/31/94/473163194.db2.gz XUFMVLBHYFPFBO-XLIONFOSSA-N 1 0 348.462 2.801 10 70 EFIERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](C)C3)cn2)CC1 ZINC000160760119 473172761 /nfs/dbraw/zinc/17/27/61/473172761.db2.gz PIVFMQRKTPUJTN-AEFFLSMTSA-N 1 0 344.503 2.666 10 70 EFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160816399 473178678 /nfs/dbraw/zinc/17/86/78/473178678.db2.gz DKSVBCGAVNQXLR-CVEARBPZSA-N 1 0 339.505 2.807 10 70 EFIERO CCNC(=O)COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC ZINC000160875316 473185969 /nfs/dbraw/zinc/18/59/69/473185969.db2.gz PQALZFBUUNRCPX-UHFFFAOYSA-N 1 0 346.427 2.744 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)c2c(C)onc2-c2ccccn2)CC1 ZINC000160874902 473186148 /nfs/dbraw/zinc/18/61/48/473186148.db2.gz DUTOUMCCVVRIDK-UHFFFAOYSA-N 1 0 342.443 2.897 10 70 EFIERO C[C@H]1C[C@H](Nc2cc(=O)n3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000160948661 473193424 /nfs/dbraw/zinc/19/34/24/473193424.db2.gz XCGKREGCVXDTHD-RDJZCZTQSA-N 1 0 334.423 2.769 10 70 EFIERO CC[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CCOC1 ZINC000161074039 473204509 /nfs/dbraw/zinc/20/45/09/473204509.db2.gz JCHMYIXTTZYXIF-MOPGFXCFSA-N 1 0 326.440 2.801 10 70 EFIERO Cc1nc(Cl)ccc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000159992835 534428966 /nfs/dbraw/zinc/42/89/66/534428966.db2.gz UVPKXDQCWKXYGE-OAHLLOKOSA-N 1 0 331.847 2.946 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159601746 520852498 /nfs/dbraw/zinc/85/24/98/520852498.db2.gz NWXVBWLIDMMXGG-OAHLLOKOSA-N 1 0 325.497 2.565 10 70 EFIERO O=C([C@@H]1CCn2ccnc2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000161377204 534594764 /nfs/dbraw/zinc/59/47/64/534594764.db2.gz ZZNKNIYWTMUOIE-QZTJIDSGSA-N 1 0 344.503 2.560 10 70 EFIERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000160911228 522046836 /nfs/dbraw/zinc/04/68/36/522046836.db2.gz KXFGHCGWQMVSLW-ZWKOTPCHSA-N 1 0 337.508 2.707 10 70 EFIERO [NH3+]CCCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000160022825 534616285 /nfs/dbraw/zinc/61/62/85/534616285.db2.gz TWJJRCGVHIGTKL-UHFFFAOYSA-N 1 0 338.333 2.923 10 70 EFIERO Clc1ccc(C2=NO[C@@H](CN3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000159763725 534638883 /nfs/dbraw/zinc/63/88/83/534638883.db2.gz CAOXBZJUILMNNQ-QGZVFWFLSA-N 1 0 333.863 2.861 10 70 EFIERO CCOc1ccc(SCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161399442 528589135 /nfs/dbraw/zinc/58/91/35/528589135.db2.gz NDWNUMOMPVNVTB-YIONKMFJSA-N 1 0 334.485 2.919 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCCCCOCc2ccccc2)CC1 ZINC000159784418 529025155 /nfs/dbraw/zinc/02/51/55/529025155.db2.gz QONHJSYHOTYWNW-UHFFFAOYSA-N 1 0 333.476 2.721 10 70 EFIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc3cc(F)ccc31)CC2 ZINC000160442171 282118200 /nfs/dbraw/zinc/11/82/00/282118200.db2.gz IRANPZCSFVQITB-DZGCQCFKSA-N 1 0 330.407 2.932 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCCCC2 ZINC000160219245 239043922 /nfs/dbraw/zinc/04/39/22/239043922.db2.gz LBTYUUGJTMCMPS-HNNXBMFYSA-N 1 0 336.501 2.594 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000160126872 239044297 /nfs/dbraw/zinc/04/42/97/239044297.db2.gz LNIBISVOVCBXGF-INIZCTEOSA-N 1 0 346.402 2.662 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2nnc(C(F)F)s2)CC1 ZINC000159568151 239029528 /nfs/dbraw/zinc/02/95/28/239029528.db2.gz YFXZMIWRLLVNKO-UHFFFAOYSA-N 1 0 333.408 2.718 10 70 EFIERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159725111 225265678 /nfs/dbraw/zinc/26/56/78/225265678.db2.gz ZRFCONODHQWBHD-QZTJIDSGSA-N 1 0 330.472 2.767 10 70 EFIERO Cc1cc(CN(C)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000159885965 225297536 /nfs/dbraw/zinc/29/75/36/225297536.db2.gz XDUXXYPKDKHSIG-WMLDXEAASA-N 1 0 342.443 2.787 10 70 EFIERO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000159902466 225298342 /nfs/dbraw/zinc/29/83/42/225298342.db2.gz VDCBZBKJXUEPER-UYAOXDASSA-N 1 0 345.487 2.585 10 70 EFIERO Cc1cc(CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)s1 ZINC000160013777 225319384 /nfs/dbraw/zinc/31/93/84/225319384.db2.gz NFVYVAMIQNAODR-KRWDZBQOSA-N 1 0 338.517 2.651 10 70 EFIERO O=C(CCc1ccc2ccccc2c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160047605 225326244 /nfs/dbraw/zinc/32/62/44/225326244.db2.gz PYBBXWVSZYOHTO-FQEVSTJZSA-N 1 0 340.467 2.735 10 70 EFIERO Cc1c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cnn1CC(C)C ZINC000160187863 225356488 /nfs/dbraw/zinc/35/64/88/225356488.db2.gz QASCQVCHAXVGNL-SFHVURJKSA-N 1 0 342.487 2.750 10 70 EFIERO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)cn1 ZINC000160238777 544804167 /nfs/dbraw/zinc/80/41/67/544804167.db2.gz WLNSMVYWKTVPGF-KRWDZBQOSA-N 1 0 341.459 2.989 10 70 EFIERO O=C(NCCOCc1ccc(Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000160531415 544806798 /nfs/dbraw/zinc/80/67/98/544806798.db2.gz RAKMBSPZAOCYSK-KRWDZBQOSA-N 1 0 349.862 2.512 10 70 EFIERO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000159667742 544798707 /nfs/dbraw/zinc/79/87/07/544798707.db2.gz ZURJNSSJROJSKI-HUUCEWRRSA-N 1 0 335.492 2.941 10 70 EFIERO CC[C@H](Sc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160058282 288149734 /nfs/dbraw/zinc/14/97/34/288149734.db2.gz GBSIACFRNKTJAS-RDJZCZTQSA-N 1 0 336.501 2.520 10 70 EFIERO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000159384739 310686691 /nfs/dbraw/zinc/68/66/91/310686691.db2.gz HTGBOAMXNKDRPL-QZTJIDSGSA-N 1 0 331.460 2.649 10 70 EFIERO CCc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1-c1ccccc1 ZINC000161124571 473208955 /nfs/dbraw/zinc/20/89/55/473208955.db2.gz GONWNXALPJZJEP-MAUKXSAKSA-N 1 0 340.471 2.893 10 70 EFIERO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000161127991 473209967 /nfs/dbraw/zinc/20/99/67/473209967.db2.gz SIGHIHIEZKJBAB-JTQLQIEISA-N 1 0 344.249 2.859 10 70 EFIERO CSc1cccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161143764 473211414 /nfs/dbraw/zinc/21/14/14/473211414.db2.gz SIIYXZBKFQOURT-RDTXWAMCSA-N 1 0 334.485 2.974 10 70 EFIERO CCC[C@@H](C(=O)Nc1ccc(I)cc1)[NH+](C)C ZINC000161166085 473213110 /nfs/dbraw/zinc/21/31/10/473213110.db2.gz QOOSDJXINKCTPH-LBPRGKRZSA-N 1 0 346.212 2.960 10 70 EFIERO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161188503 473216074 /nfs/dbraw/zinc/21/60/74/473216074.db2.gz SBYMJEMMPJTCMN-HGHGUNKESA-N 1 0 342.483 2.981 10 70 EFIERO CCc1cccc(CC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000161195914 473216096 /nfs/dbraw/zinc/21/60/96/473216096.db2.gz DDYZPLHAASEVIJ-FUHIMQAGSA-N 1 0 344.499 2.892 10 70 EFIERO CCc1cccc(CC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000161196152 473216499 /nfs/dbraw/zinc/21/64/99/473216499.db2.gz DDYZPLHAASEVIJ-MBOZVWFJSA-N 1 0 344.499 2.892 10 70 EFIERO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1c(C)nn(C)c1C ZINC000161219164 473217993 /nfs/dbraw/zinc/21/79/93/473217993.db2.gz SAKWWPCKHDZYLE-YOEHRIQHSA-N 1 0 328.460 2.783 10 70 EFIERO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000161235360 473219697 /nfs/dbraw/zinc/21/96/97/473219697.db2.gz MHMMKSIDTBEVPW-ZDUSSCGKSA-N 1 0 332.835 2.658 10 70 EFIERO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161370639 473230255 /nfs/dbraw/zinc/23/02/55/473230255.db2.gz ZWIBDSHWLRNXQD-FZMZJTMJSA-N 1 0 325.250 2.715 10 70 EFIERO CCn1cnnc1[C@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000161422602 473234310 /nfs/dbraw/zinc/23/43/10/473234310.db2.gz ALVUNELDVLFGOB-HNNXBMFYSA-N 1 0 338.415 2.728 10 70 EFIERO CC[N@H+](Cc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1)C(C)C ZINC000161428340 473234839 /nfs/dbraw/zinc/23/48/39/473234839.db2.gz WYHGJHRROIRGQA-UHFFFAOYSA-N 1 0 329.488 2.837 10 70 EFIERO C[N@H+](CCNS(=O)(=O)Cc1c(F)cccc1F)C1CCCCC1 ZINC000161447734 473236447 /nfs/dbraw/zinc/23/64/47/473236447.db2.gz UTMGAURFKPNEBN-UHFFFAOYSA-N 1 0 346.443 2.649 10 70 EFIERO O=C1NC2(CCCC2)C(=O)N1CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000159369828 473022056 /nfs/dbraw/zinc/02/20/56/473022056.db2.gz HGKSOFGUUOGLLX-UHFFFAOYSA-N 1 0 345.443 2.889 10 70 EFIERO C[C@@H]1C[NH+](CCCNC(=O)[C@]2(C)CCCc3ccccc32)C[C@@H](C)O1 ZINC000159393766 473025048 /nfs/dbraw/zinc/02/50/48/473025048.db2.gz ZTOFJYNAKWIELM-CBGDNZLLSA-N 1 0 344.499 2.896 10 70 EFIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000159525971 473035306 /nfs/dbraw/zinc/03/53/06/473035306.db2.gz LCIRXDLTTKEBGA-GUYCJALGSA-N 1 0 327.403 2.974 10 70 EFIERO C[C@H](O)C1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000159618039 473044357 /nfs/dbraw/zinc/04/43/57/473044357.db2.gz HUZLMAXTXNKVSU-JTQLQIEISA-N 1 0 338.249 2.918 10 70 EFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccnc(OC(C)C)c1 ZINC000159640905 473046790 /nfs/dbraw/zinc/04/67/90/473046790.db2.gz CSXZZDNQNMCUOM-MRXNPFEDSA-N 1 0 336.480 2.644 10 70 EFIERO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159637530 473046977 /nfs/dbraw/zinc/04/69/77/473046977.db2.gz GTNSKPOFDRHTOP-CRAIPNDOSA-N 1 0 333.476 2.893 10 70 EFIERO CC(C)N(CCc1nccs1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159659364 473048262 /nfs/dbraw/zinc/04/82/62/473048262.db2.gz FEKIPGKQCPONPX-ZIAGYGMSSA-N 1 0 336.505 2.731 10 70 EFIERO Fc1cc(F)c2nccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000159662483 473049563 /nfs/dbraw/zinc/04/95/63/473049563.db2.gz WSLZSLUWLHAXEP-ZDUSSCGKSA-N 1 0 333.382 2.672 10 70 EFIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159661250 473050230 /nfs/dbraw/zinc/05/02/30/473050230.db2.gz QAUDZLWROONFJV-MRXNPFEDSA-N 1 0 343.475 2.915 10 70 EFIERO CCOc1cc(Cl)ccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000159720385 473055020 /nfs/dbraw/zinc/05/50/20/473055020.db2.gz SFVIVOUGEPTIFP-AWEZNQCLSA-N 1 0 325.840 2.632 10 70 EFIERO CCCCOC(=O)[C@@H](C)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000159744983 473057083 /nfs/dbraw/zinc/05/70/83/473057083.db2.gz UKJMZAJURVIBOJ-OAHLLOKOSA-N 1 0 338.492 2.879 10 70 EFIERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000159766325 473059132 /nfs/dbraw/zinc/05/91/32/473059132.db2.gz QJYVHUZZNQIUBB-MRXNPFEDSA-N 1 0 337.508 2.567 10 70 EFIERO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159862779 473067866 /nfs/dbraw/zinc/06/78/66/473067866.db2.gz IGYAFWZOHYMLSO-INIZCTEOSA-N 1 0 346.471 2.849 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000159929125 473073185 /nfs/dbraw/zinc/07/31/85/473073185.db2.gz BADMBKVLMIRDNI-UHFFFAOYSA-N 1 0 342.468 2.875 10 70 EFIERO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000159940095 473074773 /nfs/dbraw/zinc/07/47/73/473074773.db2.gz OGSCCHOHQPHGGP-SUMDDJOVSA-N 1 0 328.456 2.773 10 70 EFIERO CNc1ncc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000159939844 473074858 /nfs/dbraw/zinc/07/48/58/473074858.db2.gz GITIILNYKXUYGU-CQSZACIVSA-N 1 0 330.457 2.579 10 70 EFIERO O=C(c1cc(-c2cccc(Cl)c2)no1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159987955 473079005 /nfs/dbraw/zinc/07/90/05/473079005.db2.gz RWVJWZWRXSITKD-OKILXGFUSA-N 1 0 331.803 2.962 10 70 EFIERO CC[NH+](CC)Cc1cccc(CNC(=O)N(C[C@@H](C)O)C(C)C)c1 ZINC000160133297 473090384 /nfs/dbraw/zinc/09/03/84/473090384.db2.gz GGXVUYPDHGQBIE-MRXNPFEDSA-N 1 0 335.492 2.829 10 70 EFIERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000160307043 473106876 /nfs/dbraw/zinc/10/68/76/473106876.db2.gz ZXPUJWJZBNSBQA-GDBMZVCRSA-N 1 0 337.489 2.705 10 70 EFIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(Cl)cccc1OC ZINC000160333486 473110554 /nfs/dbraw/zinc/11/05/54/473110554.db2.gz ABQMEAWKTBOPAD-ZIAGYGMSSA-N 1 0 336.863 2.976 10 70 EFIERO CCC([NH3+])(CC)CNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000160426658 473123148 /nfs/dbraw/zinc/12/31/48/473123148.db2.gz APONLXNISBOSOX-UHFFFAOYSA-N 1 0 328.460 2.796 10 70 EFIERO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1-c1ccccc1Cl ZINC000160443782 473126292 /nfs/dbraw/zinc/12/62/92/473126292.db2.gz GYNOXQFNOKKBAC-OKILXGFUSA-N 1 0 344.846 2.801 10 70 EFIERO O=C1CC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CCN1 ZINC000160471630 473129479 /nfs/dbraw/zinc/12/94/79/473129479.db2.gz PFYLAQGKBVGILR-UHFFFAOYSA-N 1 0 326.396 2.680 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cn1 ZINC000160503753 473133781 /nfs/dbraw/zinc/13/37/81/473133781.db2.gz CRWZRGCYEDMEIV-CYBMUJFWSA-N 1 0 340.265 2.694 10 70 EFIERO COc1cccc(CO[C@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160502166 473134530 /nfs/dbraw/zinc/13/45/30/473134530.db2.gz JCNJOAJJZRWTKW-SJLPKXTDSA-N 1 0 348.487 2.837 10 70 EFIERO O=C(C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)NCC(F)(F)F ZINC000160526723 473138059 /nfs/dbraw/zinc/13/80/59/473138059.db2.gz WWUJHMMEADHBQZ-NSHDSACASA-N 1 0 336.741 2.822 10 70 EFIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160531942 473138357 /nfs/dbraw/zinc/13/83/57/473138357.db2.gz NIDKHEMZSNPKHN-GHMZBOCLSA-N 1 0 331.243 2.958 10 70 EFIERO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160554568 473142579 /nfs/dbraw/zinc/14/25/79/473142579.db2.gz ATZFTJXFLUCBSN-CQSZACIVSA-N 1 0 342.434 2.674 10 70 EFIERO COc1ccccc1[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000160615952 473152231 /nfs/dbraw/zinc/15/22/31/473152231.db2.gz BVZCFINTUWCWSM-KSSFIOAISA-N 1 0 343.427 2.723 10 70 EFIERO COc1ccccc1[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000160615809 473152542 /nfs/dbraw/zinc/15/25/42/473152542.db2.gz BVZCFINTUWCWSM-KDOFPFPSSA-N 1 0 343.427 2.723 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1sccc1-c1ccccc1 ZINC000160670072 473158832 /nfs/dbraw/zinc/15/88/32/473158832.db2.gz BKHWOYJKHWZAFM-INIZCTEOSA-N 1 0 344.480 2.992 10 70 EFIERO COc1cccc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)c1 ZINC000160693391 473161828 /nfs/dbraw/zinc/16/18/28/473161828.db2.gz IIOKUWUYQRNBHF-UHFFFAOYSA-N 1 0 349.438 2.598 10 70 EFIERO COc1cccc(Cl)c1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000160779566 473174028 /nfs/dbraw/zinc/17/40/28/473174028.db2.gz RRZYLBULHXOMJR-CZUORRHYSA-N 1 0 336.863 2.834 10 70 EFIERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000160776449 473174082 /nfs/dbraw/zinc/17/40/82/473174082.db2.gz ABFAXRGHDOWWAC-DGCLKSJQSA-N 1 0 339.461 2.729 10 70 EFIERO CCn1ccnc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1=O ZINC000160803062 473176890 /nfs/dbraw/zinc/17/68/90/473176890.db2.gz XSBAQMLWYJDKLO-LJQANCHMSA-N 1 0 326.444 2.730 10 70 EFIERO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000160803467 473177308 /nfs/dbraw/zinc/17/73/08/473177308.db2.gz HXGTZXOKDOJUFG-CEXWTWQISA-N 1 0 341.455 2.562 10 70 EFIERO Cc1cnc(CCN(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000160824344 473179797 /nfs/dbraw/zinc/17/97/97/473179797.db2.gz SKDOGASFGKDDQW-HNNXBMFYSA-N 1 0 338.521 2.756 10 70 EFIERO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160951405 473194263 /nfs/dbraw/zinc/19/42/63/473194263.db2.gz ZPOCZIOMYAFWTH-DDUZABMNSA-N 1 0 328.416 2.820 10 70 EFIERO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@@H]1CCC[C@@H]1O ZINC000161029886 473200768 /nfs/dbraw/zinc/20/07/68/473200768.db2.gz SOPSFALJSDTBNZ-HZMBPMFUSA-N 1 0 338.249 2.918 10 70 EFIERO CCCCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000159837629 520867102 /nfs/dbraw/zinc/86/71/02/520867102.db2.gz BYDWNMYYCDNDBA-IYBDPMFKSA-N 1 0 332.444 2.841 10 70 EFIERO COc1ccccc1C[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160547359 524512834 /nfs/dbraw/zinc/51/28/34/524512834.db2.gz LBSRDLQBOYNPMO-IRXDYDNUSA-N 1 0 328.460 2.767 10 70 EFIERO Cc1cc(N2CC[C@@H](SCC[NH+](C(C)C)C(C)C)C2=O)n(C)n1 ZINC000161056789 525092015 /nfs/dbraw/zinc/09/20/15/525092015.db2.gz BKVYOGAVIYDDCS-OAHLLOKOSA-N 1 0 338.521 2.686 10 70 EFIERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)on1 ZINC000160834812 525226547 /nfs/dbraw/zinc/22/65/47/525226547.db2.gz MRSJNFHYJMMINS-KBPBESRZSA-N 1 0 339.399 2.847 10 70 EFIERO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161058767 527918288 /nfs/dbraw/zinc/91/82/88/527918288.db2.gz HOXMXIFFXHHXDM-CVEARBPZSA-N 1 0 331.460 2.608 10 70 EFIERO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000159405175 528123506 /nfs/dbraw/zinc/12/35/06/528123506.db2.gz ZXGGXTBVQFVKRH-UHFFFAOYSA-N 1 0 348.447 2.958 10 70 EFIERO CC[NH2+]CC1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000161047497 528288701 /nfs/dbraw/zinc/28/87/01/528288701.db2.gz RJYMPZJSVOINQN-UHFFFAOYSA-N 1 0 346.862 2.987 10 70 EFIERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000159387545 528609116 /nfs/dbraw/zinc/60/91/16/528609116.db2.gz KIVOIMGRJQWESI-INIZCTEOSA-N 1 0 348.468 2.650 10 70 EFIERO CC(C)Cn1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1=O ZINC000160217765 528727404 /nfs/dbraw/zinc/72/74/04/528727404.db2.gz IXQKRSVDHYBEHW-WMZOPIPTSA-N 1 0 340.471 2.832 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCc2cc(Cl)ccc2OC)CC1 ZINC000159690865 529027155 /nfs/dbraw/zinc/02/71/55/529027155.db2.gz YGVDFPXNAFFOFY-UHFFFAOYSA-N 1 0 325.840 2.586 10 70 EFIERO CC[C@@](C)(O)C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000160616371 529509235 /nfs/dbraw/zinc/50/92/35/529509235.db2.gz FTVNNNGDEQBPBG-QGZVFWFLSA-N 1 0 325.522 2.719 10 70 EFIERO CN(CC[NH+]1CCCC1)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160335487 529908111 /nfs/dbraw/zinc/90/81/11/529908111.db2.gz UVSRHUFDBUKVTI-UHFFFAOYSA-N 1 0 338.455 2.986 10 70 EFIERO O=C([C@H]1CCn2ccnc2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000161377557 239069396 /nfs/dbraw/zinc/06/93/96/239069396.db2.gz ZZNKNIYWTMUOIE-ROUUACIJSA-N 1 0 344.503 2.560 10 70 EFIERO COc1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000160539135 533459406 /nfs/dbraw/zinc/45/94/06/533459406.db2.gz MFHXBRWFMYOTNI-QGZVFWFLSA-N 1 0 348.487 2.873 10 70 EFIERO C[NH+](C)CC1CCC(NC(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000160402935 225407069 /nfs/dbraw/zinc/40/70/69/225407069.db2.gz RMTYDYYAHOSPFU-UHFFFAOYSA-N 1 0 347.385 2.687 10 70 EFIERO Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ccnn4C)CC3)C2=O)cc1 ZINC000160067662 225329876 /nfs/dbraw/zinc/32/98/76/225329876.db2.gz JKURVAJXMZSQHB-IBGZPJMESA-N 1 0 338.455 2.713 10 70 EFIERO Cc1nnc2ccc(NC[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)nn12 ZINC000160803427 225480238 /nfs/dbraw/zinc/48/02/38/225480238.db2.gz HXNHLARDZFLLGD-LJQANCHMSA-N 1 0 336.443 2.899 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000160135921 544802815 /nfs/dbraw/zinc/80/28/15/544802815.db2.gz UDDTWKJDWPLQCB-MRXNPFEDSA-N 1 0 342.447 2.509 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000160539693 544806284 /nfs/dbraw/zinc/80/62/84/544806284.db2.gz OXKZEKBJDXQUSJ-GOSISDBHSA-N 1 0 343.471 2.664 10 70 EFIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000160499878 544806326 /nfs/dbraw/zinc/80/63/26/544806326.db2.gz XSEYOIHWMZQBGT-DNVCBOLYSA-N 1 0 333.428 2.811 10 70 EFIERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159544546 544796413 /nfs/dbraw/zinc/79/64/13/544796413.db2.gz YPKLPGGLJJOBIW-AWEZNQCLSA-N 1 0 327.266 2.568 10 70 EFIERO C[C@@H]1C[C@@H](Nc2cc(=O)n3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000160948793 274394474 /nfs/dbraw/zinc/39/44/74/274394474.db2.gz XCGKREGCVXDTHD-NVXWUHKLSA-N 1 0 334.423 2.769 10 70 EFIERO CC1=NN(c2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cc2)CC1 ZINC000161272941 276186730 /nfs/dbraw/zinc/18/67/30/276186730.db2.gz YBEQERXBNMMVSN-KSSFIOAISA-N 1 0 328.460 2.731 10 70 EFIERO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000159380183 310686317 /nfs/dbraw/zinc/68/63/17/310686317.db2.gz BEMIVQQONPHXEJ-INIZCTEOSA-N 1 0 333.476 2.583 10 70 EFIERO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000159443849 310687236 /nfs/dbraw/zinc/68/72/36/310687236.db2.gz FXSQWZDAUDDEKX-KRWDZBQOSA-N 1 0 347.503 2.973 10 70 EFIERO CCc1cnccc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000159606784 310689094 /nfs/dbraw/zinc/68/90/94/310689094.db2.gz GTDDLMQAUJLJOM-UHFFFAOYSA-N 1 0 340.427 2.787 10 70 EFIERO C[C@]1(C(=O)NCCCC[NH+]2CCOCC2)CCCc2ccccc21 ZINC000160294734 310697191 /nfs/dbraw/zinc/69/71/91/310697191.db2.gz HYQXAHIAWDEMSA-FQEVSTJZSA-N 1 0 330.472 2.509 10 70 EFIERO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1c(C)nn(C)c1C ZINC000161219419 310707156 /nfs/dbraw/zinc/70/71/56/310707156.db2.gz SAKWWPCKHDZYLE-PBHICJAKSA-N 1 0 328.460 2.783 10 70 EFIERO COc1cc(Br)c(C[NH2+]C(C)(C)[C@H](C)O)cc1OC ZINC000161144442 473211113 /nfs/dbraw/zinc/21/11/13/473211113.db2.gz QHRHJOWQEVMSLB-VIFPVBQESA-N 1 0 332.238 2.715 10 70 EFIERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000161147212 473212258 /nfs/dbraw/zinc/21/22/58/473212258.db2.gz DKEDEBMXMYYPGE-MRXNPFEDSA-N 1 0 340.427 2.558 10 70 EFIERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161160867 473212890 /nfs/dbraw/zinc/21/28/90/473212890.db2.gz YAQUEXSFUVMUHE-BZUAXINKSA-N 1 0 347.377 2.599 10 70 EFIERO Cc1cccc(-n2cc(C(=O)NCC[N@@H+](C)C3CCCCC3)nn2)c1 ZINC000161296510 473224786 /nfs/dbraw/zinc/22/47/86/473224786.db2.gz CXELTTLUCOIEPG-UHFFFAOYSA-N 1 0 341.459 2.570 10 70 EFIERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000161294814 473224927 /nfs/dbraw/zinc/22/49/27/473224927.db2.gz QCASJJQPNZHRNP-JKSUJKDBSA-N 1 0 335.496 2.511 10 70 EFIERO CCn1cnnc1[C@H]1CCCN(CC(=O)N(CC(C)C)CC(C)C)C1 ZINC000161318346 473225615 /nfs/dbraw/zinc/22/56/15/473225615.db2.gz NAJLCBQQMKMOBH-KRWDZBQOSA-N 1 0 349.523 2.618 10 70 EFIERO C[N@H+](CCN1CCCN(CC(F)F)CC1)Cc1ccc(F)cc1 ZINC000161322538 473226499 /nfs/dbraw/zinc/22/64/99/473226499.db2.gz KCYDOUFVOLVKFU-UHFFFAOYSA-N 1 0 329.410 2.530 10 70 EFIERO O[C@H](C1CC[NH+](CCOCCOc2ccccc2)CC1)C(F)(F)F ZINC000161344423 473228825 /nfs/dbraw/zinc/22/88/25/473228825.db2.gz ALTKROIBFBRIPG-MRXNPFEDSA-N 1 0 347.377 2.717 10 70 EFIERO CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161395847 473232436 /nfs/dbraw/zinc/23/24/36/473232436.db2.gz ZFBHQWYJZHGDPB-FZMZJTMJSA-N 1 0 348.516 2.843 10 70 EFIERO CCC[C@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161448115 473235928 /nfs/dbraw/zinc/23/59/28/473235928.db2.gz QINFEQDBXUCRLU-GOSISDBHSA-N 1 0 346.471 2.847 10 70 EFIERO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000159380041 473023217 /nfs/dbraw/zinc/02/32/17/473023217.db2.gz BEMIVQQONPHXEJ-MRXNPFEDSA-N 1 0 333.476 2.583 10 70 EFIERO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000159441694 473028167 /nfs/dbraw/zinc/02/81/67/473028167.db2.gz WIZBVRRMFKYHQG-UHFFFAOYSA-N 1 0 346.519 2.880 10 70 EFIERO CCC[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)[NH+](C)C ZINC000159434956 473028354 /nfs/dbraw/zinc/02/83/54/473028354.db2.gz TXJDKNABLAIAER-NSHDSACASA-N 1 0 335.429 2.736 10 70 EFIERO COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1OC1CCCC1 ZINC000159482664 473031805 /nfs/dbraw/zinc/03/18/05/473031805.db2.gz SWAASERFLFAEIT-IYBDPMFKSA-N 1 0 344.455 2.983 10 70 EFIERO CCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc(Cl)c1OC ZINC000159509922 473033716 /nfs/dbraw/zinc/03/37/16/473033716.db2.gz BBCWNUIPPQDIMZ-WCQYABFASA-N 1 0 340.851 2.833 10 70 EFIERO C[N@H+](CCCO)C1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159509416 473034699 /nfs/dbraw/zinc/03/46/99/473034699.db2.gz AOQZRPZCJUKCPW-UHFFFAOYSA-N 1 0 335.398 2.796 10 70 EFIERO CC[NH+]1CCN(CCC(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159538158 473037212 /nfs/dbraw/zinc/03/72/12/473037212.db2.gz YRAUKBWLAUZOLV-LPHOPBHVSA-N 1 0 329.488 2.769 10 70 EFIERO CCn1cc(C2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000159621373 473045861 /nfs/dbraw/zinc/04/58/61/473045861.db2.gz QEYVATXCVMXRBC-SFHVURJKSA-N 1 0 347.507 2.666 10 70 EFIERO COc1ccc(CNC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159734145 473056196 /nfs/dbraw/zinc/05/61/96/473056196.db2.gz QXOOZFVBWKVIEJ-UHFFFAOYSA-N 1 0 347.484 2.721 10 70 EFIERO O=C(c1c(F)cccc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159748137 473058509 /nfs/dbraw/zinc/05/85/09/473058509.db2.gz NIZTXCKRRQFRBD-AOOOYVTPSA-N 1 0 327.197 2.555 10 70 EFIERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000159766448 473059431 /nfs/dbraw/zinc/05/94/31/473059431.db2.gz QJYVHUZZNQIUBB-INIZCTEOSA-N 1 0 337.508 2.567 10 70 EFIERO CC(C)[N@@H+](CCc1nccs1)CCN1C(=O)c2ccccc2C1=O ZINC000159946135 473074939 /nfs/dbraw/zinc/07/49/39/473074939.db2.gz LBJJDXDBNOFCMZ-UHFFFAOYSA-N 1 0 343.452 2.692 10 70 EFIERO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159948179 473075078 /nfs/dbraw/zinc/07/50/78/473075078.db2.gz HRIGVXCTMUUUED-CVEARBPZSA-N 1 0 349.438 2.623 10 70 EFIERO CCC[N@H+](CC)CCNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159961686 473075795 /nfs/dbraw/zinc/07/57/95/473075795.db2.gz SVXIIDYPOQYZKY-UHFFFAOYSA-N 1 0 325.497 2.567 10 70 EFIERO CC(C)(C)C(=O)Nc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159978705 473077690 /nfs/dbraw/zinc/07/76/90/473077690.db2.gz FPSWAHIGDAGILT-OKILXGFUSA-N 1 0 329.444 2.638 10 70 EFIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1CSCCS1 ZINC000159993621 473078751 /nfs/dbraw/zinc/07/87/51/473078751.db2.gz YDEUICNSZNFKBI-HOTGVXAUSA-N 1 0 338.542 2.514 10 70 EFIERO O=C(c1cc(F)cc(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160033628 473081995 /nfs/dbraw/zinc/08/19/95/473081995.db2.gz HESPRCBHSWPNGX-BETUJISGSA-N 1 0 327.197 2.555 10 70 EFIERO COc1cccc2c1CC[C@@H]2NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000160072791 473085985 /nfs/dbraw/zinc/08/59/85/473085985.db2.gz KKSOWXZZGXOUAE-OALUTQOASA-N 1 0 338.451 2.972 10 70 EFIERO Cc1c2cccc(C)c2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160184986 473095748 /nfs/dbraw/zinc/09/57/48/473095748.db2.gz AIJVCXYBXAYNNQ-HNNXBMFYSA-N 1 0 330.428 2.626 10 70 EFIERO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160307054 473107554 /nfs/dbraw/zinc/10/75/54/473107554.db2.gz OKPNPSGSYUQLPH-VXGBXAGGSA-N 1 0 340.880 2.685 10 70 EFIERO O=C(NCCCC[NH+]1CCCC1)N1CCO[C@H](c2ccsc2)C1 ZINC000160387861 473116013 /nfs/dbraw/zinc/11/60/13/473116013.db2.gz SJFBQZQUDNKZAZ-INIZCTEOSA-N 1 0 337.489 2.707 10 70 EFIERO O=C(c1cnc(-c2ccccc2F)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160402798 473118088 /nfs/dbraw/zinc/11/80/88/473118088.db2.gz MHFXHWIULYTIKC-TXEJJXNPSA-N 1 0 331.416 2.916 10 70 EFIERO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160424306 473123303 /nfs/dbraw/zinc/12/33/03/473123303.db2.gz MNPRNHNZYCWGJO-GASCZTMLSA-N 1 0 344.846 2.801 10 70 EFIERO COc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160444104 473125498 /nfs/dbraw/zinc/12/54/98/473125498.db2.gz HBTCQFMTLUMEKN-QGZVFWFLSA-N 1 0 346.471 2.895 10 70 EFIERO CC[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000160481047 473130711 /nfs/dbraw/zinc/13/07/11/473130711.db2.gz OBKCBMWTNGAEAO-HKUYNNGSSA-N 1 0 332.488 2.842 10 70 EFIERO COC(=O)Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160483212 473131811 /nfs/dbraw/zinc/13/18/11/473131811.db2.gz CQGYBOHTZFIYPK-MRXNPFEDSA-N 1 0 333.432 2.715 10 70 EFIERO COc1ccc2[nH]cc(CC(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)c2c1 ZINC000160487136 473133062 /nfs/dbraw/zinc/13/30/62/473133062.db2.gz CVTQMZZWKDLNCW-MRXNPFEDSA-N 1 0 343.471 2.956 10 70 EFIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000160511487 473135942 /nfs/dbraw/zinc/13/59/42/473135942.db2.gz RDROWAIEXWOFBR-HNNXBMFYSA-N 1 0 343.265 2.789 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000160531542 473137538 /nfs/dbraw/zinc/13/75/38/473137538.db2.gz FZOLMRSTTRYESZ-GOSISDBHSA-N 1 0 343.471 2.885 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000160555846 473142140 /nfs/dbraw/zinc/14/21/40/473142140.db2.gz QYIVFKINVATSCL-PBHICJAKSA-N 1 0 330.428 2.525 10 70 EFIERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1OCC(=O)N(C)C ZINC000160585898 473146676 /nfs/dbraw/zinc/14/66/76/473146676.db2.gz NIMWQCYSNFUYIN-SZMVWBNQSA-N 1 0 348.487 2.745 10 70 EFIERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160736904 473168558 /nfs/dbraw/zinc/16/85/58/473168558.db2.gz TXUXKQJTBHTEGY-RTBURBONSA-N 1 0 334.504 2.774 10 70 EFIERO C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CCS1(=O)=O ZINC000160735013 473168807 /nfs/dbraw/zinc/16/88/07/473168807.db2.gz ZFOLCNTXZWEWAG-SNVBAGLBSA-N 1 0 344.358 2.877 10 70 EFIERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H](C)C3)cn2)CC1 ZINC000160759795 473171994 /nfs/dbraw/zinc/17/19/94/473171994.db2.gz PIVFMQRKTPUJTN-FUHWJXTLSA-N 1 0 344.503 2.666 10 70 EFIERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000160776306 473173344 /nfs/dbraw/zinc/17/33/44/473173344.db2.gz ABFAXRGHDOWWAC-YPMHNXCESA-N 1 0 339.461 2.729 10 70 EFIERO Cc1nnc2ccc(NC[C@]3(C)CCC[N@@H+]3Cc3ccccc3)nn12 ZINC000160803317 473177424 /nfs/dbraw/zinc/17/74/24/473177424.db2.gz HXNHLARDZFLLGD-IBGZPJMESA-N 1 0 336.443 2.899 10 70 EFIERO O[C@@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1cc(F)ccc1F ZINC000160908869 473190622 /nfs/dbraw/zinc/19/06/22/473190622.db2.gz ZNTZMFJHUANMCI-DYVFJYSZSA-N 1 0 333.382 2.827 10 70 EFIERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000160911615 473190878 /nfs/dbraw/zinc/19/08/78/473190878.db2.gz KXFGHCGWQMVSLW-MSOLQXFVSA-N 1 0 337.508 2.707 10 70 EFIERO CCCOc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160941944 473193594 /nfs/dbraw/zinc/19/35/94/473193594.db2.gz HEHHFFDCDBBMDR-CVEARBPZSA-N 1 0 332.444 2.824 10 70 EFIERO C[C@@H]1C[C@H](Nc2cc(=O)n3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000160948554 473193762 /nfs/dbraw/zinc/19/37/62/473193762.db2.gz XCGKREGCVXDTHD-WBVHZDCISA-N 1 0 334.423 2.769 10 70 EFIERO C[C@H]([NH2+]CCCN1CCCC1=O)c1cnn(Cc2ccccc2)c1 ZINC000159555803 533847844 /nfs/dbraw/zinc/84/78/44/533847844.db2.gz RLOTXLCPNYAUCH-INIZCTEOSA-N 1 0 326.444 2.595 10 70 EFIERO Cc1cc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)oc2cc1C ZINC000160234073 534086700 /nfs/dbraw/zinc/08/67/00/534086700.db2.gz PJEKLVRFBKQOMV-INIZCTEOSA-N 1 0 330.428 2.626 10 70 EFIERO CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCCC[NH3+])c12 ZINC000159998052 518700168 /nfs/dbraw/zinc/70/01/68/518700168.db2.gz CJCZXSAXPVRJQA-UHFFFAOYSA-N 1 0 330.432 2.767 10 70 EFIERO Clc1ccc(C2=NO[C@@H](C[NH+]3CCC4(CC3)OCCO4)C2)cc1 ZINC000159747979 534638302 /nfs/dbraw/zinc/63/83/02/534638302.db2.gz KIONQDLBWABQJQ-OAHLLOKOSA-N 1 0 336.819 2.672 10 70 EFIERO CC(=O)N(C)c1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000160724111 526481488 /nfs/dbraw/zinc/48/14/88/526481488.db2.gz PCSQUXJJZFNLRQ-UHFFFAOYSA-N 1 0 346.475 2.911 10 70 EFIERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000160123237 527740059 /nfs/dbraw/zinc/74/00/59/527740059.db2.gz OAWZCBZJFXHSCI-LBPRGKRZSA-N 1 0 343.240 2.589 10 70 EFIERO CCC[C@H](C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[NH+](C)C ZINC000159822027 527982443 /nfs/dbraw/zinc/98/24/43/527982443.db2.gz JGSWZGXKRLXMOM-QGZVFWFLSA-N 1 0 331.460 2.772 10 70 EFIERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000159813986 528155993 /nfs/dbraw/zinc/15/59/93/528155993.db2.gz OXSURRLKCNABCA-FZMZJTMJSA-N 1 0 340.265 2.904 10 70 EFIERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160237968 528229354 /nfs/dbraw/zinc/22/93/54/528229354.db2.gz GOFZYTRMWZRJDJ-ZFWWWQNUSA-N 1 0 325.478 2.561 10 70 EFIERO CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)CCc1nccs1 ZINC000159432176 528444863 /nfs/dbraw/zinc/44/48/63/528444863.db2.gz FFJQWZDKNVTSFZ-UHFFFAOYSA-N 1 0 343.452 2.694 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COc1ccc(F)cc1 ZINC000159817772 528916081 /nfs/dbraw/zinc/91/60/81/528916081.db2.gz VTHWJZGAQHMWTC-HNNXBMFYSA-N 1 0 338.448 2.975 10 70 EFIERO CC[C@@H](C)CS(=O)(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000159759702 529332161 /nfs/dbraw/zinc/33/21/61/529332161.db2.gz VIHWFOZJLRWRKN-OAHLLOKOSA-N 1 0 339.505 2.616 10 70 EFIERO CC[C@](C)(O)C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000160616230 529374142 /nfs/dbraw/zinc/37/41/42/529374142.db2.gz FTVNNNGDEQBPBG-KRWDZBQOSA-N 1 0 325.522 2.719 10 70 EFIERO CC[C@@](C)(O)C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000161079021 529507891 /nfs/dbraw/zinc/50/78/91/529507891.db2.gz UMHMXJZRHHXVTG-DZGCQCFKSA-N 1 0 335.366 2.538 10 70 EFIERO CCC[C@@H](C(=O)Nc1nc2ccc(NC(C)=O)cc2s1)[NH+](C)C ZINC000159546017 206251123 /nfs/dbraw/zinc/25/11/23/206251123.db2.gz IYLSUKXOBQSIJW-ZDUSSCGKSA-N 1 0 334.445 2.924 10 70 EFIERO Cc1ccc(C(=O)CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000159553871 206251379 /nfs/dbraw/zinc/25/13/79/206251379.db2.gz CPGPUKWHPHWKCJ-HXUWFJFHSA-N 1 0 343.515 2.670 10 70 EFIERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CSCCS1 ZINC000159993516 206274984 /nfs/dbraw/zinc/27/49/84/206274984.db2.gz YDEUICNSZNFKBI-CVEARBPZSA-N 1 0 338.542 2.514 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160108532 206279080 /nfs/dbraw/zinc/27/90/80/206279080.db2.gz STJYWQBFYZFSJI-PBHICJAKSA-N 1 0 335.448 2.706 10 70 EFIERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000160277497 206287759 /nfs/dbraw/zinc/28/77/59/206287759.db2.gz KAKQIUKZOXIAIV-ZBFHGGJFSA-N 1 0 337.489 2.563 10 70 EFIERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000160238262 206286344 /nfs/dbraw/zinc/28/63/44/206286344.db2.gz GOFZYTRMWZRJDJ-DZGCQCFKSA-N 1 0 325.478 2.561 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1Cl ZINC000160283525 206288782 /nfs/dbraw/zinc/28/87/82/206288782.db2.gz IKEHUEJNRUOASQ-LBPRGKRZSA-N 1 0 331.243 2.570 10 70 EFIERO CC(C)c1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160390216 206295083 /nfs/dbraw/zinc/29/50/83/206295083.db2.gz FPFAAKDMMMGHOC-IBGZPJMESA-N 1 0 332.488 2.706 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1CCC(c2ccccc2)CC1 ZINC000160459009 206299265 /nfs/dbraw/zinc/29/92/65/206299265.db2.gz FDLPELHHBDZPCO-MHJFOBGBSA-N 1 0 344.499 2.923 10 70 EFIERO CC[C@H](C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160513864 206301813 /nfs/dbraw/zinc/30/18/13/206301813.db2.gz LIOGVAOFDZPAEW-YTQUADARSA-N 1 0 332.488 2.779 10 70 EFIERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000160597209 206306750 /nfs/dbraw/zinc/30/67/50/206306750.db2.gz ZMQKSFGBAKHSOX-NEPJUHHUSA-N 1 0 347.385 2.639 10 70 EFIERO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@@H](C)CC3)nc(N)c21 ZINC000160718752 206309925 /nfs/dbraw/zinc/30/99/25/206309925.db2.gz VUJHBCFVZRHFLX-LLVKDONJSA-N 1 0 346.431 2.912 10 70 EFIERO CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160778646 206312985 /nfs/dbraw/zinc/31/29/85/206312985.db2.gz GJGPEFSCLXMBNA-QGZVFWFLSA-N 1 0 346.475 2.678 10 70 EFIERO Cc1cc(C[C@@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)[nH]n1 ZINC000161090100 206327415 /nfs/dbraw/zinc/32/74/15/206327415.db2.gz MDZPKKJAJBXIBN-CQSZACIVSA-N 1 0 326.444 2.675 10 70 EFIERO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161138580 206329459 /nfs/dbraw/zinc/32/94/59/206329459.db2.gz MVNXZMGBZIJFHN-GQIGUUNPSA-N 1 0 344.455 2.535 10 70 EFIERO CCSCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160619217 206305581 /nfs/dbraw/zinc/30/55/81/206305581.db2.gz MFADKEVTIKOSGQ-KRWDZBQOSA-N 1 0 336.501 2.516 10 70 EFIERO CC(C)NC(=O)Nc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000161230345 206335515 /nfs/dbraw/zinc/33/55/15/206335515.db2.gz DJFPMFRHKXRIOV-YOEHRIQHSA-N 1 0 346.475 2.675 10 70 EFIERO CCC[C@H](C(=O)NCc1c(C)nn(-c2ccccc2)c1C)[NH+](C)C ZINC000161278184 206338403 /nfs/dbraw/zinc/33/84/03/206338403.db2.gz YOUSQZQKQGIOSA-GOSISDBHSA-N 1 0 328.460 2.836 10 70 EFIERO CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161290229 206338732 /nfs/dbraw/zinc/33/87/32/206338732.db2.gz YAJOOZAODQEFPQ-YOEHRIQHSA-N 1 0 346.475 2.675 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000159987439 544800332 /nfs/dbraw/zinc/80/03/32/544800332.db2.gz NSWKYSVBMKUPLN-INIZCTEOSA-N 1 0 341.459 2.671 10 70 EFIERO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1cccc(-n2cnnn2)c1 ZINC000160051978 544801979 /nfs/dbraw/zinc/80/19/79/544801979.db2.gz SUPVAZWVUVFWHQ-LBPRGKRZSA-N 1 0 345.353 2.670 10 70 EFIERO O=C(NCCOCc1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000160531530 544806241 /nfs/dbraw/zinc/80/62/41/544806241.db2.gz RAKMBSPZAOCYSK-QGZVFWFLSA-N 1 0 349.862 2.512 10 70 EFIERO CC(C)(C)n1cc(CN2CCN(CCC[NH+]3CCCCC3)CC2)cn1 ZINC000160959850 544810022 /nfs/dbraw/zinc/81/00/22/544810022.db2.gz GFRRHLWHDPYVBD-UHFFFAOYSA-N 1 0 347.551 2.632 10 70 EFIERO CC[C@H](C)Oc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159544323 544796496 /nfs/dbraw/zinc/79/64/96/544796496.db2.gz GOVVDGYRSBNHFN-OFQRWUPVSA-N 1 0 334.460 2.958 10 70 EFIERO C[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)C(C)(C)C[NH+](C)C ZINC000159667611 544798493 /nfs/dbraw/zinc/79/84/93/544798493.db2.gz ZURJNSSJROJSKI-LSDHHAIUSA-N 1 0 335.492 2.941 10 70 EFIERO CCc1oc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C ZINC000159680702 544798654 /nfs/dbraw/zinc/79/86/54/544798654.db2.gz LVQJSOCKDWWTGH-UHFFFAOYSA-N 1 0 342.439 2.913 10 70 EFIERO O=C(NCc1cccc(-c2ccccn2)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000160369894 273022010 /nfs/dbraw/zinc/02/20/10/273022010.db2.gz RCIVRAKJUBACLT-LJQANCHMSA-N 1 0 348.450 2.904 10 70 EFIERO CN(Cc1cnc2ccccn12)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000160378207 273022074 /nfs/dbraw/zinc/02/20/74/273022074.db2.gz FRVIXXPSAFUTNJ-QGZVFWFLSA-N 1 0 338.386 2.711 10 70 EFIERO CC(C)c1noc(CCCNC(=O)NCC[NH+](C(C)C)C(C)C)n1 ZINC000161168127 310707063 /nfs/dbraw/zinc/70/70/63/310707063.db2.gz DFQBBABVRAZJQM-UHFFFAOYSA-N 1 0 339.484 2.544 10 70 EFIERO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1c(C)nn(C)c1C ZINC000161219543 310707352 /nfs/dbraw/zinc/70/73/52/310707352.db2.gz SAKWWPCKHDZYLE-RHSMWYFYSA-N 1 0 328.460 2.783 10 70 EFIERO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1ccccc1C(C)C ZINC000161145165 473211984 /nfs/dbraw/zinc/21/19/84/473211984.db2.gz ZXMZYGVSFRUKKW-KRWDZBQOSA-N 1 0 331.460 2.805 10 70 EFIERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000161184434 473215103 /nfs/dbraw/zinc/21/51/03/473215103.db2.gz XZLWTUQSEPJCEY-SCLBCKFNSA-N 1 0 328.460 2.564 10 70 EFIERO CC(=O)NC1CCC([NH2+]C2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000161297113 473225010 /nfs/dbraw/zinc/22/50/10/473225010.db2.gz KDBRFWIRSCDTDU-UHFFFAOYSA-N 1 0 343.515 2.996 10 70 EFIERO C[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC000161285036 473223781 /nfs/dbraw/zinc/22/37/81/473223781.db2.gz QNHJOSWUBUIBQO-AWEZNQCLSA-N 1 0 347.400 2.826 10 70 EFIERO Cc1nnc(-c2cccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c2)o1 ZINC000161341447 473228391 /nfs/dbraw/zinc/22/83/91/473228391.db2.gz DPZNUXRHHKVHCL-LRDDRELGSA-N 1 0 328.416 2.504 10 70 EFIERO COc1cccc(OCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000161359086 473230122 /nfs/dbraw/zinc/23/01/22/473230122.db2.gz YNNDNYIJNIFTLY-JLSDUUJJSA-N 1 0 332.444 2.501 10 70 EFIERO Cc1[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)c1C(=O)OC(C)C ZINC000161387341 473231918 /nfs/dbraw/zinc/23/19/18/473231918.db2.gz AYVMPSVPKDRQEC-SWLSCSKDSA-N 1 0 349.475 2.655 10 70 EFIERO COC(=O)c1ccc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1Cl ZINC000159463438 473029589 /nfs/dbraw/zinc/02/95/89/473029589.db2.gz NUIQGXUVEHLRJT-UHFFFAOYSA-N 1 0 344.798 2.561 10 70 EFIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OCC(C)C ZINC000159509351 473033635 /nfs/dbraw/zinc/03/36/35/473033635.db2.gz WWBIGVSSGMXPHQ-ZBFHGGJFSA-N 1 0 334.460 2.816 10 70 EFIERO CC(C)N(CC[NH+](C)C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000159568182 473039714 /nfs/dbraw/zinc/03/97/14/473039714.db2.gz YPKWYZNSQADNIC-UHFFFAOYSA-N 1 0 338.521 2.699 10 70 EFIERO CC(C)N(CCc1nccs1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159659231 473047887 /nfs/dbraw/zinc/04/78/87/473047887.db2.gz FEKIPGKQCPONPX-KBPBESRZSA-N 1 0 336.505 2.731 10 70 EFIERO O=C(CSc1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159827719 473064773 /nfs/dbraw/zinc/06/47/73/473064773.db2.gz CDADIJWZRSCKJM-TXEJJXNPSA-N 1 0 333.482 2.741 10 70 EFIERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159893150 473069590 /nfs/dbraw/zinc/06/95/90/473069590.db2.gz YZIXUXUQUAKVFL-KKUMJFAQSA-N 1 0 329.448 2.611 10 70 EFIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159897376 473070167 /nfs/dbraw/zinc/07/01/67/473070167.db2.gz KEURZTRWGQNJTM-LBPRGKRZSA-N 1 0 345.365 2.627 10 70 EFIERO CCc1noc(CC)c1CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160054448 473084032 /nfs/dbraw/zinc/08/40/32/473084032.db2.gz NITWQOQRSIJCET-CQSZACIVSA-N 1 0 336.480 2.719 10 70 EFIERO COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000160072920 473086173 /nfs/dbraw/zinc/08/61/73/473086173.db2.gz KKSOWXZZGXOUAE-RBUKOAKNSA-N 1 0 338.451 2.972 10 70 EFIERO CC(C)N(C[C@@H](C)O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160129708 473089984 /nfs/dbraw/zinc/08/99/84/473089984.db2.gz LFSDMNQAGJTISB-MRXNPFEDSA-N 1 0 333.476 2.583 10 70 EFIERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160121728 473090352 /nfs/dbraw/zinc/09/03/52/473090352.db2.gz KYSJLADLUMJEPL-GOSISDBHSA-N 1 0 335.536 2.831 10 70 EFIERO CC[NH+](CC)[C@@H](CNC(=O)N(C[C@H](C)O)C(C)C)c1ccsc1 ZINC000160221369 473097658 /nfs/dbraw/zinc/09/76/58/473097658.db2.gz JNZYBUCSBKLJNT-HOCLYGCPSA-N 1 0 341.521 2.932 10 70 EFIERO C[NH+](C)CC[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)C(C)(C)C ZINC000160221684 473097769 /nfs/dbraw/zinc/09/77/69/473097769.db2.gz ZUPPTRSFKNYBRJ-INIZCTEOSA-N 1 0 335.496 2.665 10 70 EFIERO CC(C)Cn1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1=O ZINC000160217661 473098239 /nfs/dbraw/zinc/09/82/39/473098239.db2.gz IXQKRSVDHYBEHW-AEFFLSMTSA-N 1 0 340.471 2.832 10 70 EFIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000160290408 473105017 /nfs/dbraw/zinc/10/50/17/473105017.db2.gz JJLMLWSGWNOEDG-XLIONFOSSA-N 1 0 336.520 2.898 10 70 EFIERO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000160386865 473115201 /nfs/dbraw/zinc/11/52/01/473115201.db2.gz RGTXIYKELIUZTL-DLBZAZTESA-N 1 0 349.475 2.753 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(F)c(F)cc1F ZINC000160459618 473128124 /nfs/dbraw/zinc/12/81/24/473128124.db2.gz VKYWVZKHOZAYSV-CYBMUJFWSA-N 1 0 328.378 2.883 10 70 EFIERO CCn1cc(C2CC[NH+](Cc3cc(C(=O)OC)c(C)o3)CC2)cn1 ZINC000160464435 473128617 /nfs/dbraw/zinc/12/86/17/473128617.db2.gz JRSIPDMZJYACBN-UHFFFAOYSA-N 1 0 331.416 2.971 10 70 EFIERO O=C(C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)NCC(F)(F)F ZINC000160526594 473138258 /nfs/dbraw/zinc/13/82/58/473138258.db2.gz WWUJHMMEADHBQZ-LLVKDONJSA-N 1 0 336.741 2.822 10 70 EFIERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(Cl)s1 ZINC000160555232 473141714 /nfs/dbraw/zinc/14/17/14/473141714.db2.gz FLROHGSMUVIGOD-NVBFEUDRSA-N 1 0 328.865 2.550 10 70 EFIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160576340 473145444 /nfs/dbraw/zinc/14/54/44/473145444.db2.gz KAPLWWNZYPSALM-AWEZNQCLSA-N 1 0 347.434 2.557 10 70 EFIERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)N1CCc2sccc2C1 ZINC000160652707 473156470 /nfs/dbraw/zinc/15/64/70/473156470.db2.gz DCJLVZHEHWMVBU-UHFFFAOYSA-N 1 0 344.484 2.626 10 70 EFIERO O=C(NCC[NH2+]C1CC(c2cccc(Br)c2)C1)C1CC1 ZINC000160689030 473161819 /nfs/dbraw/zinc/16/18/19/473161819.db2.gz GDANMIHIEIXCDO-UHFFFAOYSA-N 1 0 337.261 2.811 10 70 EFIERO Cn1ccnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000160802619 473176586 /nfs/dbraw/zinc/17/65/86/473176586.db2.gz BSJMZXHUOYBYSU-UHFFFAOYSA-N 1 0 348.834 2.630 10 70 EFIERO Cc1cnc(CCN(C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000160824477 473180021 /nfs/dbraw/zinc/18/00/21/473180021.db2.gz SKDOGASFGKDDQW-OAHLLOKOSA-N 1 0 338.521 2.756 10 70 EFIERO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCCC3(C)C)nc(N)c21 ZINC000160888911 473186704 /nfs/dbraw/zinc/18/67/04/473186704.db2.gz PGIAFAMOOHLYSX-UHFFFAOYSA-N 1 0 332.404 2.665 10 70 EFIERO CC(C)[NH2+]CCC(=O)N1CCc2cccc(Br)c2C1 ZINC000160917053 473190459 /nfs/dbraw/zinc/19/04/59/473190459.db2.gz UAWLGAPKUVXFQM-UHFFFAOYSA-N 1 0 325.250 2.722 10 70 EFIERO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160955731 473194234 /nfs/dbraw/zinc/19/42/34/473194234.db2.gz SADRDSFORXJAKB-MRXNPFEDSA-N 1 0 341.455 2.579 10 70 EFIERO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H]1CCC[C@@H]1O ZINC000161030007 473200973 /nfs/dbraw/zinc/20/09/73/473200973.db2.gz SOPSFALJSDTBNZ-YGRLFVJLSA-N 1 0 338.249 2.918 10 70 EFIERO CCN(C)C(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161067047 473203673 /nfs/dbraw/zinc/20/36/73/473203673.db2.gz RLHAFMHYDMTHNE-HUUCEWRRSA-N 1 0 344.377 2.682 10 70 EFIERO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160306853 525698411 /nfs/dbraw/zinc/69/84/11/525698411.db2.gz OKPNPSGSYUQLPH-NEPJUHHUSA-N 1 0 340.880 2.685 10 70 EFIERO CCCCCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160311472 528234517 /nfs/dbraw/zinc/23/45/17/528234517.db2.gz FZZGXSYCPGRMLN-GOSISDBHSA-N 1 0 348.487 2.832 10 70 EFIERO CCc1ccc([C@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160287980 529719522 /nfs/dbraw/zinc/71/95/22/529719522.db2.gz GOOYYBBZZCSGOW-APWZRJJASA-N 1 0 332.488 2.706 10 70 EFIERO CN(CCCN1CC[NH+](C)CC1)C(=O)CC/C=C/c1ccccc1 ZINC000159684978 529887220 /nfs/dbraw/zinc/88/72/20/529887220.db2.gz QJXBDTZRVNCRKK-IZZDOVSWSA-N 1 0 329.488 2.576 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc(Cl)ccc2o1 ZINC000160306788 239047301 /nfs/dbraw/zinc/04/73/01/239047301.db2.gz GSRLDAQYQWEIAI-AWEZNQCLSA-N 1 0 336.819 2.663 10 70 EFIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159484026 296122804 /nfs/dbraw/zinc/12/28/04/296122804.db2.gz CMUNDDBPFLKUHP-CQSZACIVSA-N 1 0 344.459 2.634 10 70 EFIERO COc1cccc(N2CC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161404811 533584423 /nfs/dbraw/zinc/58/44/23/533584423.db2.gz BXIIYRNCUHGJJB-MRXNPFEDSA-N 1 0 346.471 2.797 10 70 EFIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CSCCS1 ZINC000159993421 225317489 /nfs/dbraw/zinc/31/74/89/225317489.db2.gz YDEUICNSZNFKBI-JKSUJKDBSA-N 1 0 338.542 2.514 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000160225116 225365479 /nfs/dbraw/zinc/36/54/79/225365479.db2.gz OOMJLVNWHIGRSS-LBPRGKRZSA-N 1 0 331.243 2.570 10 70 EFIERO Cc1cc(-c2nnc(CN3CCN(c4cc[nH+]cc4)CC3)o2)c(C)o1 ZINC000161361680 544813675 /nfs/dbraw/zinc/81/36/75/544813675.db2.gz JTVVMQHNXYJJED-UHFFFAOYSA-N 1 0 339.399 2.664 10 70 EFIERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161409029 533690767 /nfs/dbraw/zinc/69/07/67/533690767.db2.gz HTVSBPGWCGKLQV-HIFRSBDPSA-N 1 0 347.846 2.818 10 70 EFIERO CCC(CC)[C@H](CNC(=O)N(C[C@@H](C)O)C(C)C)[NH+]1CCCC1 ZINC000159901744 310692868 /nfs/dbraw/zinc/69/28/68/310692868.db2.gz BJBOXAFTCPPION-WBVHZDCISA-N 1 0 327.513 2.688 10 70 EFIERO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1OC ZINC000159981521 310693706 /nfs/dbraw/zinc/69/37/06/310693706.db2.gz JRRCARBEDQCCHE-CYBMUJFWSA-N 1 0 335.448 2.678 10 70 EFIERO C[C@]1(O)CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000159997871 310693737 /nfs/dbraw/zinc/69/37/37/310693737.db2.gz OWPKTCZVBQWZHD-FQEVSTJZSA-N 1 0 345.487 2.729 10 70 EFIERO COc1cccc2c1CC[C@H]2NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000160072533 310694429 /nfs/dbraw/zinc/69/44/29/310694429.db2.gz KKSOWXZZGXOUAE-MOPGFXCFSA-N 1 0 338.451 2.972 10 70 EFIERO CC(C)Oc1cc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)ccn1 ZINC000160923507 310704133 /nfs/dbraw/zinc/70/41/33/310704133.db2.gz FRYNFCZBOFILKK-UHFFFAOYSA-N 1 0 348.491 2.788 10 70 EFIERO COc1ccc(-c2n[nH]cc2C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000161152565 473212142 /nfs/dbraw/zinc/21/21/42/473212142.db2.gz JKRJRAVEPKRSEI-DYVFJYSZSA-N 1 0 342.443 2.544 10 70 EFIERO Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(C[NH3+])o3)[C@H](C)CO2)c1 ZINC000161273961 473222516 /nfs/dbraw/zinc/22/25/16/473222516.db2.gz FBDGAADMLYGWSJ-KDOFPFPSSA-N 1 0 328.412 2.957 10 70 EFIERO CC1=NN(c2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC000161272825 473222816 /nfs/dbraw/zinc/22/28/16/473222816.db2.gz YBEQERXBNMMVSN-KDOFPFPSSA-N 1 0 328.460 2.731 10 70 EFIERO CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000161290107 473225021 /nfs/dbraw/zinc/22/50/21/473225021.db2.gz YAJOOZAODQEFPQ-PBHICJAKSA-N 1 0 346.475 2.675 10 70 EFIERO CCC[C@H](C(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[NH+](C)C ZINC000161314469 473225704 /nfs/dbraw/zinc/22/57/04/473225704.db2.gz YJMUJMDENOFBCB-LJQANCHMSA-N 1 0 342.487 2.895 10 70 EFIERO CC[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCN1CC(F)F ZINC000161309711 473225943 /nfs/dbraw/zinc/22/59/43/473225943.db2.gz TZWUKLFVDFQRFY-KRWDZBQOSA-N 1 0 343.437 2.919 10 70 EFIERO O=C1CCCCN1c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161347911 473228841 /nfs/dbraw/zinc/22/88/41/473228841.db2.gz YIYFQOFSIOPMQT-UHFFFAOYSA-N 1 0 344.455 2.979 10 70 EFIERO COc1cccc(OCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000161358833 473229472 /nfs/dbraw/zinc/22/94/72/473229472.db2.gz YNNDNYIJNIFTLY-WBAXXEDZSA-N 1 0 332.444 2.501 10 70 EFIERO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000161413695 473233491 /nfs/dbraw/zinc/23/34/91/473233491.db2.gz FTHBGWQLBOJMDM-AWEZNQCLSA-N 1 0 345.422 2.645 10 70 EFIERO CCC[C@@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC000161407182 473233837 /nfs/dbraw/zinc/23/38/37/473233837.db2.gz DEUVYYYWYVHOGE-SFHVURJKSA-N 1 0 335.467 2.590 10 70 EFIERO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000161406046 473232573 /nfs/dbraw/zinc/23/25/73/473232573.db2.gz QSWQVSVCIURFGH-CQSZACIVSA-N 1 0 346.452 2.566 10 70 EFIERO COc1cccc(N2CC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161404953 473232719 /nfs/dbraw/zinc/23/27/19/473232719.db2.gz BXIIYRNCUHGJJB-INIZCTEOSA-N 1 0 346.471 2.797 10 70 EFIERO CCCN(Cc1c(C)nn(C)c1OC)C[C@@H]1COc2ccccc2O1 ZINC000161422205 473234218 /nfs/dbraw/zinc/23/42/18/473234218.db2.gz JXRIEOOVYRJJJR-OAHLLOKOSA-N 1 0 345.443 2.789 10 70 EFIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000159525840 473035187 /nfs/dbraw/zinc/03/51/87/473035187.db2.gz LCIRXDLTTKEBGA-DYVFJYSZSA-N 1 0 327.403 2.974 10 70 EFIERO O=C(c1cc(Br)ccc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159550509 473038674 /nfs/dbraw/zinc/03/86/74/473038674.db2.gz NMSDXBSVDLQTBP-PHIMTYICSA-N 1 0 327.197 2.555 10 70 EFIERO CCCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OCC ZINC000159606374 473043968 /nfs/dbraw/zinc/04/39/68/473043968.db2.gz GJQNDUJYLSVZHJ-HOCLYGCPSA-N 1 0 334.460 2.960 10 70 EFIERO Cc1cc(Br)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159679129 473050543 /nfs/dbraw/zinc/05/05/43/473050543.db2.gz WTECQMYMMYFZSJ-WCQYABFASA-N 1 0 325.250 2.843 10 70 EFIERO CCN(C(=O)NCc1cscn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159841140 473066044 /nfs/dbraw/zinc/06/60/44/473066044.db2.gz HZJBMBNJRTXSNH-QGZVFWFLSA-N 1 0 344.484 2.949 10 70 EFIERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159893443 473069898 /nfs/dbraw/zinc/06/98/98/473069898.db2.gz GDUVKOMITIZQRF-KBPBESRZSA-N 1 0 329.448 2.611 10 70 EFIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159897262 473070032 /nfs/dbraw/zinc/07/00/32/473070032.db2.gz KEURZTRWGQNJTM-GFCCVEGCSA-N 1 0 345.365 2.627 10 70 EFIERO COc1ccc(-c2cncc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000159901378 473070058 /nfs/dbraw/zinc/07/00/58/473070058.db2.gz LTJJDXDJKIKWRA-HDICACEKSA-N 1 0 337.423 2.724 10 70 EFIERO C[C@@H](O)C[N@@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000159912194 473071546 /nfs/dbraw/zinc/07/15/46/473071546.db2.gz SWUHFNVGKJIJPQ-ZIAGYGMSSA-N 1 0 346.393 2.515 10 70 EFIERO CC(C)[C@H](CNC(=O)N(C[C@H](C)O)C(C)C)[NH+]1CCC(C)CC1 ZINC000160223832 473097671 /nfs/dbraw/zinc/09/76/71/473097671.db2.gz DFRMZGHLNZMHCG-IRXDYDNUSA-N 1 0 327.513 2.544 10 70 EFIERO CC(C)[C@@H](CNC(=O)N(C[C@H](C)O)C(C)C)[NH+]1CCC(C)CC1 ZINC000160223972 473097975 /nfs/dbraw/zinc/09/79/75/473097975.db2.gz DFRMZGHLNZMHCG-DLBZAZTESA-N 1 0 327.513 2.544 10 70 EFIERO Cn1nccc1C1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000160222604 473098209 /nfs/dbraw/zinc/09/82/09/473098209.db2.gz JVEFJPCTGWZRPW-QGZVFWFLSA-N 1 0 349.523 2.676 10 70 EFIERO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000160233576 473099174 /nfs/dbraw/zinc/09/91/74/473099174.db2.gz WJYZSJARQAIFML-INIZCTEOSA-N 1 0 330.472 2.961 10 70 EFIERO Cc1cccc2[nH]c(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)nc21 ZINC000160282449 473105191 /nfs/dbraw/zinc/10/51/91/473105191.db2.gz CVCRGEJMHLYGEF-SFHVURJKSA-N 1 0 328.460 2.998 10 70 EFIERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160306702 473107609 /nfs/dbraw/zinc/10/76/09/473107609.db2.gz ZXPUJWJZBNSBQA-HOCLYGCPSA-N 1 0 337.489 2.705 10 70 EFIERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160363350 473112788 /nfs/dbraw/zinc/11/27/88/473112788.db2.gz NNHAHGGFWMRCRN-CQSZACIVSA-N 1 0 347.434 2.557 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc(Cl)nc1 ZINC000160384526 473115263 /nfs/dbraw/zinc/11/52/63/473115263.db2.gz RHXSKFIMAQLHBU-OAHLLOKOSA-N 1 0 338.883 2.697 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000160473992 473129985 /nfs/dbraw/zinc/12/99/85/473129985.db2.gz CJBCWXRUYOLALZ-QGZVFWFLSA-N 1 0 344.434 2.862 10 70 EFIERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(Cl)cccc1OC ZINC000160508847 473134997 /nfs/dbraw/zinc/13/49/97/473134997.db2.gz AGIHQMGJDJHERR-KGLIPLIRSA-N 1 0 336.863 2.976 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(Cc2ccccc2)c1 ZINC000160513538 473135129 /nfs/dbraw/zinc/13/51/29/473135129.db2.gz GWDRYWSIDKJYSK-LJQANCHMSA-N 1 0 340.471 2.782 10 70 EFIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160531714 473137910 /nfs/dbraw/zinc/13/79/10/473137910.db2.gz NIDKHEMZSNPKHN-MNOVXSKESA-N 1 0 331.243 2.958 10 70 EFIERO COc1ccc(OC)c([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C)c1 ZINC000160576171 473144443 /nfs/dbraw/zinc/14/44/43/473144443.db2.gz ROUCOESYRFTINR-CYBMUJFWSA-N 1 0 329.462 2.568 10 70 EFIERO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160582297 473146309 /nfs/dbraw/zinc/14/63/09/473146309.db2.gz CHIXDQBZCAOJBM-INIZCTEOSA-N 1 0 338.492 2.687 10 70 EFIERO Cc1ccc(N2CC[C@@H](N3CCC([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000160594196 473148383 /nfs/dbraw/zinc/14/83/83/473148383.db2.gz TWCURRNBDMZZLL-LJQANCHMSA-N 1 0 327.472 2.661 10 70 EFIERO Cc1cc2occ(CC(=O)NC[C@H](O)C[NH+]3CCCCC3)c2cc1C ZINC000160599988 473149810 /nfs/dbraw/zinc/14/98/10/473149810.db2.gz OIQQCVJTCLMLKC-KRWDZBQOSA-N 1 0 344.455 2.555 10 70 EFIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000160614412 473152206 /nfs/dbraw/zinc/15/22/06/473152206.db2.gz LBGCQMSSEQAKSX-NQIIRXRSSA-N 1 0 342.483 2.805 10 70 EFIERO O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000160617092 473152486 /nfs/dbraw/zinc/15/24/86/473152486.db2.gz SIJKLBCSQOUODN-BGRRUFJRSA-N 1 0 328.456 2.960 10 70 EFIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000160661317 473157525 /nfs/dbraw/zinc/15/75/25/473157525.db2.gz FPIDLPLHYHUZPW-VXGBXAGGSA-N 1 0 346.381 2.664 10 70 EFIERO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160661365 473157930 /nfs/dbraw/zinc/15/79/30/473157930.db2.gz AKGHQMHZPIMUSU-WRWLIDTKSA-N 1 0 348.462 2.972 10 70 EFIERO COC(=O)c1csc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000160689192 473162041 /nfs/dbraw/zinc/16/20/41/473162041.db2.gz ZJFTVXHXDUXOEP-CQSZACIVSA-N 1 0 347.440 2.959 10 70 EFIERO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000160803359 473177516 /nfs/dbraw/zinc/17/75/16/473177516.db2.gz HXGTZXOKDOJUFG-QYZOEREBSA-N 1 0 341.455 2.562 10 70 EFIERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000160816508 473178365 /nfs/dbraw/zinc/17/83/65/473178365.db2.gz DKSVBCGAVNQXLR-JKSUJKDBSA-N 1 0 339.505 2.807 10 70 EFIERO Cc1nc(CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)sc1C ZINC000160830646 473179752 /nfs/dbraw/zinc/17/97/52/473179752.db2.gz PMPHOEDQPKNTCA-MRXNPFEDSA-N 1 0 346.500 2.905 10 70 EFIERO C[C@@H]([C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CCCCC1 ZINC000160992968 473197437 /nfs/dbraw/zinc/19/74/37/473197437.db2.gz RDVHATVSVLGCJR-GJZGRUSLSA-N 1 0 345.487 2.596 10 70 EFIERO C[C@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000159662679 524396717 /nfs/dbraw/zinc/39/67/17/524396717.db2.gz NCKRIZWJMSOBQB-MRXNPFEDSA-N 1 0 337.508 2.567 10 70 EFIERO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159781500 526771661 /nfs/dbraw/zinc/77/16/61/526771661.db2.gz DPQQLXIIYBTOOG-YOEHRIQHSA-N 1 0 349.862 2.681 10 70 EFIERO CCC[C@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000159438189 527971271 /nfs/dbraw/zinc/97/12/71/527971271.db2.gz IAYZEBPDGISPEG-QGZVFWFLSA-N 1 0 328.460 2.999 10 70 EFIERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160108278 528265601 /nfs/dbraw/zinc/26/56/01/528265601.db2.gz STJYWQBFYZFSJI-RHSMWYFYSA-N 1 0 335.448 2.706 10 70 EFIERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000159420629 528607254 /nfs/dbraw/zinc/60/72/54/528607254.db2.gz YOOVZJDBWGKUGS-AWEZNQCLSA-N 1 0 345.468 2.929 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000159872653 529024628 /nfs/dbraw/zinc/02/46/28/529024628.db2.gz QFTGWGVHUAZJSH-UHFFFAOYSA-N 1 0 332.423 2.587 10 70 EFIERO C[C@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000160269831 299154890 /nfs/dbraw/zinc/15/48/90/299154890.db2.gz PHTCPKXXNBZLND-INIZCTEOSA-N 1 0 341.459 2.718 10 70 EFIERO C[C@H]1C[C@@H](NC(=O)N2CCCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159977470 291073325 /nfs/dbraw/zinc/07/33/25/291073325.db2.gz ABBRWFFQYRLRSE-DOTOQJQBSA-N 1 0 333.501 2.798 10 70 EFIERO Cc1ccc(N2CC[C@H](N3CCC([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000160594077 292138228 /nfs/dbraw/zinc/13/82/28/292138228.db2.gz TWCURRNBDMZZLL-IBGZPJMESA-N 1 0 327.472 2.661 10 70 EFIERO Cc1cc(CN(C)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000159886368 225296482 /nfs/dbraw/zinc/29/64/82/225296482.db2.gz XDUXXYPKDKHSIG-PBHICJAKSA-N 1 0 342.443 2.787 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(Cl)cccc1Cl ZINC000159963354 225310527 /nfs/dbraw/zinc/31/05/27/225310527.db2.gz IAVIOPFYWCGTGC-NSHDSACASA-N 1 0 331.243 2.570 10 70 EFIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(SC(F)F)cc1 ZINC000160333611 225390050 /nfs/dbraw/zinc/39/00/50/225390050.db2.gz ORCOBUHCHHUQAY-ZDUSSCGKSA-N 1 0 344.427 2.578 10 70 EFIERO Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4ccnn4C)CC3)C2=O)cc1 ZINC000160067771 225329521 /nfs/dbraw/zinc/32/95/21/225329521.db2.gz JKURVAJXMZSQHB-LJQANCHMSA-N 1 0 338.455 2.713 10 70 EFIERO Cc1c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cnn1CC(C)C ZINC000160187997 225357257 /nfs/dbraw/zinc/35/72/57/225357257.db2.gz QASCQVCHAXVGNL-GOSISDBHSA-N 1 0 342.487 2.750 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000159987537 544800374 /nfs/dbraw/zinc/80/03/74/544800374.db2.gz NSWKYSVBMKUPLN-MRXNPFEDSA-N 1 0 341.459 2.671 10 70 EFIERO CN(CC1CCOCC1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000160862062 544809149 /nfs/dbraw/zinc/80/91/49/544809149.db2.gz DUUSAGCNGCMNMT-UHFFFAOYSA-N 1 0 349.475 2.907 10 70 EFIERO CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000161496089 544814877 /nfs/dbraw/zinc/81/48/77/544814877.db2.gz RMCJUVPCMCVOAZ-GOSISDBHSA-N 1 0 341.459 2.986 10 70 EFIERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159544393 544796090 /nfs/dbraw/zinc/79/60/90/544796090.db2.gz YPKLPGGLJJOBIW-CQSZACIVSA-N 1 0 327.266 2.568 10 70 EFIERO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000160439201 278273581 /nfs/dbraw/zinc/27/35/81/278273581.db2.gz BHGMBDYNBXCQEH-AWEZNQCLSA-N 1 0 338.879 2.581 10 70 EFIERO C[C@H](c1cccc(F)c1)N1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000159497925 310688004 /nfs/dbraw/zinc/68/80/04/310688004.db2.gz MYAPMGCBRFDUES-QGZVFWFLSA-N 1 0 347.478 2.907 10 70 EFIERO CCCOc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1OC ZINC000159981649 310693635 /nfs/dbraw/zinc/69/36/35/310693635.db2.gz JRRCARBEDQCCHE-ZDUSSCGKSA-N 1 0 335.448 2.678 10 70 EFIERO COCC(C)(C)C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160623076 310701034 /nfs/dbraw/zinc/70/10/34/310701034.db2.gz WTKJTTFZLFPOCS-UHFFFAOYSA-N 1 0 334.460 2.797 10 70 EFIERO CCc1c(C(=O)NC2CCC(C[NH+](C)C)CC2)cnn1CC(C)C ZINC000161251308 310707528 /nfs/dbraw/zinc/70/75/28/310707528.db2.gz UJBQPXLRAUCQGW-UHFFFAOYSA-N 1 0 334.508 2.952 10 70 EFIERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000161128104 473210013 /nfs/dbraw/zinc/21/00/13/473210013.db2.gz SIGHIHIEZKJBAB-SNVBAGLBSA-N 1 0 344.249 2.859 10 70 EFIERO COC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000161144866 473211456 /nfs/dbraw/zinc/21/14/56/473211456.db2.gz YEVLMVGRUMRXKX-OCCSQVGLSA-N 1 0 330.350 2.509 10 70 EFIERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000161147328 473211856 /nfs/dbraw/zinc/21/18/56/473211856.db2.gz DKEDEBMXMYYPGE-INIZCTEOSA-N 1 0 340.427 2.558 10 70 EFIERO COC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000161144964 473211875 /nfs/dbraw/zinc/21/18/75/473211875.db2.gz YEVLMVGRUMRXKX-TZMCWYRMSA-N 1 0 330.350 2.509 10 70 EFIERO C[N@H+](CCNC(=O)c1ccc(C(=O)NC2CC2)cc1)C1CCCCC1 ZINC000161262149 473221426 /nfs/dbraw/zinc/22/14/26/473221426.db2.gz SEFJIKKMGFIPQZ-UHFFFAOYSA-N 1 0 343.471 2.573 10 70 EFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000161413566 473233824 /nfs/dbraw/zinc/23/38/24/473233824.db2.gz FTHBGWQLBOJMDM-CQSZACIVSA-N 1 0 345.422 2.645 10 70 EFIERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161408888 473233988 /nfs/dbraw/zinc/23/39/88/473233988.db2.gz HTVSBPGWCGKLQV-ZFWWWQNUSA-N 1 0 347.846 2.818 10 70 EFIERO CCCc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(=O)OC ZINC000161403598 473232361 /nfs/dbraw/zinc/23/23/61/473232361.db2.gz LWENCQRTOFOXNQ-WFASDCNBSA-N 1 0 349.475 2.521 10 70 EFIERO COc1ccc([C@H](CCO)[NH2+]CCN(C)Cc2ccc(F)cc2)cc1 ZINC000161434421 473235644 /nfs/dbraw/zinc/23/56/44/473235644.db2.gz OMKCIWPQZPWNGT-FQEVSTJZSA-N 1 0 346.446 2.979 10 70 EFIERO CCC[C@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)[NH+](C)C ZINC000159435082 473028776 /nfs/dbraw/zinc/02/87/76/473028776.db2.gz TXJDKNABLAIAER-LLVKDONJSA-N 1 0 335.429 2.736 10 70 EFIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(-n2cncn2)cc1Cl ZINC000159540084 473036889 /nfs/dbraw/zinc/03/68/89/473036889.db2.gz UUJULMDGAKMQIV-CYBMUJFWSA-N 1 0 347.850 2.584 10 70 EFIERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(-n2cncn2)cc1Cl ZINC000159539964 473036975 /nfs/dbraw/zinc/03/69/75/473036975.db2.gz UUJULMDGAKMQIV-ZDUSSCGKSA-N 1 0 347.850 2.584 10 70 EFIERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159614852 473043877 /nfs/dbraw/zinc/04/38/77/473043877.db2.gz HLMNWIWYOOMDKF-INIZCTEOSA-N 1 0 337.508 2.709 10 70 EFIERO CCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCC ZINC000159606271 473044591 /nfs/dbraw/zinc/04/45/91/473044591.db2.gz GJQNDUJYLSVZHJ-GOEBONIOSA-N 1 0 334.460 2.960 10 70 EFIERO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(Br)c1 ZINC000159626222 473045526 /nfs/dbraw/zinc/04/55/26/473045526.db2.gz ZEJCXRFVRFPRKB-WCQYABFASA-N 1 0 325.250 2.843 10 70 EFIERO Cc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(Br)c1 ZINC000159626370 473045958 /nfs/dbraw/zinc/04/59/58/473045958.db2.gz ZEJCXRFVRFPRKB-AAEUAGOBSA-N 1 0 325.250 2.843 10 70 EFIERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159645789 473047357 /nfs/dbraw/zinc/04/73/57/473047357.db2.gz WCQASTFSFUCSKO-YJBOKZPZSA-N 1 0 326.444 2.924 10 70 EFIERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159754360 473058195 /nfs/dbraw/zinc/05/81/95/473058195.db2.gz QZNCVEDGKKQEOI-LBPRGKRZSA-N 1 0 345.365 2.627 10 70 EFIERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000159782073 473060140 /nfs/dbraw/zinc/06/01/40/473060140.db2.gz GJMFHJMIHPWQAG-FUHWJXTLSA-N 1 0 347.503 2.943 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCc2ccccc2C1 ZINC000159817184 473063275 /nfs/dbraw/zinc/06/32/75/473063275.db2.gz ANTUNPKLCMTPCZ-UHFFFAOYSA-N 1 0 343.496 2.981 10 70 EFIERO CCN(C(=O)NCc1cscn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159841280 473066509 /nfs/dbraw/zinc/06/65/09/473066509.db2.gz HZJBMBNJRTXSNH-KRWDZBQOSA-N 1 0 344.484 2.949 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000159879986 473068825 /nfs/dbraw/zinc/06/88/25/473068825.db2.gz UWTPSBCAIGVRAO-UHFFFAOYSA-N 1 0 331.460 2.855 10 70 EFIERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159893295 473070350 /nfs/dbraw/zinc/07/03/50/473070350.db2.gz GDUVKOMITIZQRF-UONOGXRCSA-N 1 0 329.448 2.611 10 70 EFIERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159991276 473078298 /nfs/dbraw/zinc/07/82/98/473078298.db2.gz HTNQIFYZWKFNSD-CQSZACIVSA-N 1 0 340.508 2.933 10 70 EFIERO COc1cccc(CCC[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000160074002 473085140 /nfs/dbraw/zinc/08/51/40/473085140.db2.gz OVRHZANDXDJDSM-UHFFFAOYSA-N 1 0 343.471 2.696 10 70 EFIERO O=C(CCc1ccccc1OC(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160252420 473101129 /nfs/dbraw/zinc/10/11/29/473101129.db2.gz DONQGYHYTAXJLO-OKILXGFUSA-N 1 0 342.361 2.871 10 70 EFIERO O=C(c1ncoc1-c1ccccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160391330 473116797 /nfs/dbraw/zinc/11/67/97/473116797.db2.gz FSHKBLNHEXOFGT-TXEJJXNPSA-N 1 0 331.803 2.962 10 70 EFIERO O=C(C1CCN(CCC[NH+]2CCCCC2)CC1)N1CCCCCC1 ZINC000160433403 473124683 /nfs/dbraw/zinc/12/46/83/473124683.db2.gz ORMHDHNKLSLRPW-UHFFFAOYSA-N 1 0 335.536 2.977 10 70 EFIERO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160443140 473125329 /nfs/dbraw/zinc/12/53/29/473125329.db2.gz DNQRRIMFGZJEHN-GOSISDBHSA-N 1 0 348.535 2.935 10 70 EFIERO COC(=O)Nc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160470706 473130312 /nfs/dbraw/zinc/13/03/12/473130312.db2.gz SHZAKFMWWRZZOY-MRXNPFEDSA-N 1 0 333.432 2.715 10 70 EFIERO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160539704 473139731 /nfs/dbraw/zinc/13/97/31/473139731.db2.gz FEPPZCFASOLFEI-IRXDYDNUSA-N 1 0 346.471 2.927 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000160555698 473141783 /nfs/dbraw/zinc/14/17/83/473141783.db2.gz QYIVFKINVATSCL-RHSMWYFYSA-N 1 0 330.428 2.525 10 70 EFIERO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000160577167 473144925 /nfs/dbraw/zinc/14/49/25/473144925.db2.gz OPFUQRQFIBOOIK-LBPRGKRZSA-N 1 0 326.872 2.801 10 70 EFIERO Cc1cc2c(cc1C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160575452 473145156 /nfs/dbraw/zinc/14/51/56/473145156.db2.gz HWKFIYBKYZWODO-CYBMUJFWSA-N 1 0 330.350 2.785 10 70 EFIERO Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000160585002 473146511 /nfs/dbraw/zinc/14/65/11/473146511.db2.gz XLEFQYZIDSAWRO-UHFFFAOYSA-N 1 0 342.443 2.650 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000160601988 473149287 /nfs/dbraw/zinc/14/92/87/473149287.db2.gz HRCFDMDCYTZZEL-GOSISDBHSA-N 1 0 343.471 2.664 10 70 EFIERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000160661430 473157271 /nfs/dbraw/zinc/15/72/71/473157271.db2.gz FPIDLPLHYHUZPW-NWDGAFQWSA-N 1 0 346.381 2.664 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160747954 473171487 /nfs/dbraw/zinc/17/14/87/473171487.db2.gz QFNVWSWJQMEKCU-UHFFFAOYSA-N 1 0 347.385 2.689 10 70 EFIERO COc1cccc(Cl)c1CC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000160795947 473175704 /nfs/dbraw/zinc/17/57/04/473175704.db2.gz PNWWCNKLWXORSG-CYBMUJFWSA-N 1 0 345.830 2.681 10 70 EFIERO COc1cccc(C2(NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)c1 ZINC000160813427 473178610 /nfs/dbraw/zinc/17/86/10/473178610.db2.gz JCNOCFQJQBOOBS-INIZCTEOSA-N 1 0 333.476 2.960 10 70 EFIERO CC(C)(C)O[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160816166 473178690 /nfs/dbraw/zinc/17/86/90/473178690.db2.gz PSXKGYVCSDUTBO-ROUUACIJSA-N 1 0 348.487 2.506 10 70 EFIERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)on1 ZINC000160834956 473180443 /nfs/dbraw/zinc/18/04/43/473180443.db2.gz MRSJNFHYJMMINS-ZIAGYGMSSA-N 1 0 339.399 2.847 10 70 EFIERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000160989666 473197287 /nfs/dbraw/zinc/19/72/87/473197287.db2.gz MPHLQCOIFUGKDN-KRWDZBQOSA-N 1 0 334.460 2.513 10 70 EFIERO CC(C)(C)OC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000160989537 473197395 /nfs/dbraw/zinc/19/73/95/473197395.db2.gz MPHLQCOIFUGKDN-QGZVFWFLSA-N 1 0 334.460 2.513 10 70 EFIERO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161047241 473202104 /nfs/dbraw/zinc/20/21/04/473202104.db2.gz YIEIOFZUCUOGNZ-OZOXKJRCSA-N 1 0 342.483 2.587 10 70 EFIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCc1cccc(Cl)c1 ZINC000161052291 473202735 /nfs/dbraw/zinc/20/27/35/473202735.db2.gz WFHJCTZSEXHDTN-CRAIPNDOSA-N 1 0 336.863 2.583 10 70 EFIERO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000160136210 534435488 /nfs/dbraw/zinc/43/54/88/534435488.db2.gz VBMIVPNIFICTCV-QGZVFWFLSA-N 1 0 339.863 2.627 10 70 EFIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc(Cl)ccc2o1 ZINC000160306902 534537563 /nfs/dbraw/zinc/53/75/63/534537563.db2.gz GSRLDAQYQWEIAI-CQSZACIVSA-N 1 0 336.819 2.663 10 70 EFIERO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)oc1C ZINC000161044830 521839065 /nfs/dbraw/zinc/83/90/65/521839065.db2.gz FRUURHROKQAPQS-ZDUSSCGKSA-N 1 0 333.388 2.521 10 70 EFIERO Clc1ccc(C2=NO[C@H](C[NH+]3CCC4(CC3)OCCO4)C2)cc1 ZINC000159747865 534638107 /nfs/dbraw/zinc/63/81/07/534638107.db2.gz KIONQDLBWABQJQ-HNNXBMFYSA-N 1 0 336.819 2.672 10 70 EFIERO O=C(CCOc1ccc(F)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160664116 526530172 /nfs/dbraw/zinc/53/01/72/526530172.db2.gz ZRWGSOIETNIKNX-BETUJISGSA-N 1 0 326.799 2.601 10 70 EFIERO O=C([C@H]1C[C@H]1C1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160736593 526565874 /nfs/dbraw/zinc/56/58/74/526565874.db2.gz TXUXKQJTBHTEGY-OALUTQOASA-N 1 0 334.504 2.774 10 70 EFIERO CC(C)(C)c1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160627594 526772358 /nfs/dbraw/zinc/77/23/58/526772358.db2.gz HZSXRWUFAKLMHC-IBGZPJMESA-N 1 0 346.515 2.880 10 70 EFIERO O=C(Cc1csc(-c2cccs2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159414315 527335224 /nfs/dbraw/zinc/33/52/24/527335224.db2.gz MSLLBTSCJPPSDR-TXEJJXNPSA-N 1 0 333.482 2.767 10 70 EFIERO CC(C)=CCOc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160157124 527447750 /nfs/dbraw/zinc/44/77/50/527447750.db2.gz SEVYFZUZRYOPSJ-SFHVURJKSA-N 1 0 346.471 2.608 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1cnc2ccccc2n1 ZINC000160379835 527977387 /nfs/dbraw/zinc/97/73/87/527977387.db2.gz ITLLWWPUGARKIR-OAGJVSPASA-N 1 0 338.455 2.880 10 70 EFIERO CC(C)c1ccc(OCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160237944 528120543 /nfs/dbraw/zinc/12/05/43/528120543.db2.gz LSMRORNGBQYYDP-SFHVURJKSA-N 1 0 348.487 2.542 10 70 EFIERO CC(C)c1cccc(O[C@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159964281 528184970 /nfs/dbraw/zinc/18/49/70/528184970.db2.gz NAFZHCMBXYWJFA-AEFFLSMTSA-N 1 0 348.487 2.540 10 70 EFIERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160108180 528231874 /nfs/dbraw/zinc/23/18/74/528231874.db2.gz STJYWQBFYZFSJI-WMLDXEAASA-N 1 0 335.448 2.706 10 70 EFIERO CCCCCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160311347 528234618 /nfs/dbraw/zinc/23/46/18/528234618.db2.gz FZZGXSYCPGRMLN-SFHVURJKSA-N 1 0 348.487 2.832 10 70 EFIERO CC(C)[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160270081 528423867 /nfs/dbraw/zinc/42/38/67/528423867.db2.gz IWSRRDFINQXDMO-RBUKOAKNSA-N 1 0 332.488 2.779 10 70 EFIERO CC(C)[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160270175 528975872 /nfs/dbraw/zinc/97/58/72/528975872.db2.gz IWSRRDFINQXDMO-OALUTQOASA-N 1 0 332.488 2.779 10 70 EFIERO CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159538241 529141696 /nfs/dbraw/zinc/14/16/96/529141696.db2.gz YRAUKBWLAUZOLV-VQIMIIECSA-N 1 0 329.488 2.769 10 70 EFIERO CCN1CC[NH+](C[C@@H](C)CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC000160111846 529146461 /nfs/dbraw/zinc/14/64/61/529146461.db2.gz KARBTVWZKYUCEV-SSVWKNEZSA-N 1 0 343.515 2.870 10 70 EFIERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)on1 ZINC000160834694 291958834 /nfs/dbraw/zinc/95/88/34/291958834.db2.gz MRSJNFHYJMMINS-UONOGXRCSA-N 1 0 339.399 2.847 10 70 EFIERO COc1ccc(CCC[NH2+]C2CCC(NC(C)=O)CC2)cc1OC ZINC000161373246 533475497 /nfs/dbraw/zinc/47/54/97/533475497.db2.gz QOOIQIUOQPLXBY-UHFFFAOYSA-N 1 0 334.460 2.673 10 70 EFIERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159526370 225233810 /nfs/dbraw/zinc/23/38/10/225233810.db2.gz SCCRAPRIQGRENZ-OAHLLOKOSA-N 1 0 326.444 2.844 10 70 EFIERO Cc1cc(CN(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000159886225 225297382 /nfs/dbraw/zinc/29/73/82/225297382.db2.gz XDUXXYPKDKHSIG-RHSMWYFYSA-N 1 0 342.443 2.787 10 70 EFIERO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000159902722 225300385 /nfs/dbraw/zinc/30/03/85/225300385.db2.gz VDCBZBKJXUEPER-AZUAARDMSA-N 1 0 345.487 2.585 10 70 EFIERO C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000160277620 225378002 /nfs/dbraw/zinc/37/80/02/225378002.db2.gz KAKQIUKZOXIAIV-HOCLYGCPSA-N 1 0 337.489 2.563 10 70 EFIERO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000159645147 544797307 /nfs/dbraw/zinc/79/73/07/544797307.db2.gz BFZXAWNKUHMTFT-LZWOXQAQSA-N 1 0 325.474 2.682 10 70 EFIERO CN(Cc1cnc2ccccn12)[C@H]1CCN(c2ccccc2F)C1=O ZINC000160378326 273022106 /nfs/dbraw/zinc/02/21/06/273022106.db2.gz FRVIXXPSAFUTNJ-KRWDZBQOSA-N 1 0 338.386 2.711 10 70 EFIERO CCN1CC[NH+]([C@H]2CCN(c3ccnc4c(F)cc(F)cc34)C2)CC1 ZINC000159370744 276387748 /nfs/dbraw/zinc/38/77/48/276387748.db2.gz IDXGBNUAUHVEHL-HNNXBMFYSA-N 1 0 346.425 2.729 10 70 EFIERO Cc1nc(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)sc1C ZINC000160830525 281890223 /nfs/dbraw/zinc/89/02/23/281890223.db2.gz PMPHOEDQPKNTCA-INIZCTEOSA-N 1 0 346.500 2.905 10 70 EFIERO C[C@H](COc1ccccc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000159633271 310689326 /nfs/dbraw/zinc/68/93/26/310689326.db2.gz RUKCBZFPZMXQAM-MJGOQNOKSA-N 1 0 340.467 2.991 10 70 EFIERO CC(C)C[C@H](C)Oc1cc(C[NH2+]C2CCN(C(N)=O)CC2)ccn1 ZINC000160804698 310702885 /nfs/dbraw/zinc/70/28/85/310702885.db2.gz UEWMWBBNTGBIID-AWEZNQCLSA-N 1 0 334.464 2.528 10 70 EFIERO COC(=O)c1csc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000161019909 473199795 /nfs/dbraw/zinc/19/97/95/473199795.db2.gz LICJZRPQKZUWAD-UHFFFAOYSA-N 1 0 339.461 2.777 10 70 EFIERO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COc1ccccc1C(C)C ZINC000161145282 473211731 /nfs/dbraw/zinc/21/17/31/473211731.db2.gz ZXMZYGVSFRUKKW-QGZVFWFLSA-N 1 0 331.460 2.805 10 70 EFIERO CC[NH+](CC)[C@H](C(=O)N[C@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161158040 473213222 /nfs/dbraw/zinc/21/32/22/473213222.db2.gz ZTWCTFUQJUJMQG-KDOFPFPSSA-N 1 0 328.460 2.848 10 70 EFIERO CC[N@H+](CC(=O)NC1(c2ccc(F)cc2F)CCOCC1)C1CC1 ZINC000161162861 473213454 /nfs/dbraw/zinc/21/34/54/473213454.db2.gz JYFCZSYDBAGMRS-UHFFFAOYSA-N 1 0 338.398 2.571 10 70 EFIERO CC[C@@H]1CN(C(=O)CC[C@@H](C)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000161175465 473214881 /nfs/dbraw/zinc/21/48/81/473214881.db2.gz XEKRDMVHHUBKBA-ZHALLVOQSA-N 1 0 332.488 2.874 10 70 EFIERO CC(C)NC(=O)Nc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000161230220 473218946 /nfs/dbraw/zinc/21/89/46/473218946.db2.gz DJFPMFRHKXRIOV-PBHICJAKSA-N 1 0 346.475 2.675 10 70 EFIERO Cc1cnccc1CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000161294996 473224950 /nfs/dbraw/zinc/22/49/50/473224950.db2.gz VDJLRIAQULFVNX-UHFFFAOYSA-N 1 0 344.434 2.633 10 70 EFIERO CCC[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC(C)(C)C ZINC000161289283 473225163 /nfs/dbraw/zinc/22/51/63/473225163.db2.gz OPXDSNXWHPECJZ-MRXNPFEDSA-N 1 0 334.460 2.988 10 70 EFIERO Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161330530 473226572 /nfs/dbraw/zinc/22/65/72/473226572.db2.gz FJEQQIXREMRCNC-SWLSCSKDSA-N 1 0 328.412 2.560 10 70 EFIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 ZINC000161336342 473227150 /nfs/dbraw/zinc/22/71/50/473227150.db2.gz AVPUOWDEHNPQDR-INIZCTEOSA-N 1 0 341.459 2.733 10 70 EFIERO O[C@@H](C1CC[NH+](CCOCCOc2ccccc2)CC1)C(F)(F)F ZINC000161344287 473228173 /nfs/dbraw/zinc/22/81/73/473228173.db2.gz ALTKROIBFBRIPG-INIZCTEOSA-N 1 0 347.377 2.717 10 70 EFIERO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000161347782 473228353 /nfs/dbraw/zinc/22/83/53/473228353.db2.gz QWHCMFAAILJSMN-UHFFFAOYSA-N 1 0 343.471 2.740 10 70 EFIERO C[NH+](C)[C@H]1CCN(C(=O)CSc2cccc(Br)c2)C1 ZINC000161372804 473230931 /nfs/dbraw/zinc/23/09/31/473230931.db2.gz GKNPCQJSNVZEIF-LBPRGKRZSA-N 1 0 343.290 2.704 10 70 EFIERO CCn1cnnc1[C@H]1CCCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000161421483 473234591 /nfs/dbraw/zinc/23/45/91/473234591.db2.gz LJUCJZMFGPTABZ-LBPRGKRZSA-N 1 0 344.444 2.789 10 70 EFIERO O=C(c1csc(Cc2ccc(F)cc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159372585 473023022 /nfs/dbraw/zinc/02/30/22/473023022.db2.gz CQPFHTOHNHBFTR-GASCZTMLSA-N 1 0 345.443 2.840 10 70 EFIERO Cc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc(C)c1OC(F)F ZINC000159562873 473038580 /nfs/dbraw/zinc/03/85/80/473038580.db2.gz GGRWZUKJMQAJGD-GXTWGEPZSA-N 1 0 326.387 2.991 10 70 EFIERO CCCCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159590403 473042577 /nfs/dbraw/zinc/04/25/77/473042577.db2.gz IMWJMUJQTGAECL-HOCLYGCPSA-N 1 0 334.460 2.960 10 70 EFIERO CCn1cc(C2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000159621499 473045977 /nfs/dbraw/zinc/04/59/77/473045977.db2.gz QEYVATXCVMXRBC-GOSISDBHSA-N 1 0 347.507 2.666 10 70 EFIERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159645647 473047216 /nfs/dbraw/zinc/04/72/16/473047216.db2.gz WCQASTFSFUCSKO-MAUKXSAKSA-N 1 0 326.444 2.924 10 70 EFIERO CCCCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159633071 473047695 /nfs/dbraw/zinc/04/76/95/473047695.db2.gz SNIFTPLNRJBCEP-HOCLYGCPSA-N 1 0 334.460 2.960 10 70 EFIERO O=C(C1CC[NH+](CCOCC2CC2)CC1)N1CCc2ccccc21 ZINC000159656857 473049049 /nfs/dbraw/zinc/04/90/49/473049049.db2.gz PUZOUKQTLXCJGS-UHFFFAOYSA-N 1 0 328.456 2.714 10 70 EFIERO [NH3+]CCCOC1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000159679030 473051071 /nfs/dbraw/zinc/05/10/71/473051071.db2.gz BWECYJHSQOIKPJ-UHFFFAOYSA-N 1 0 348.672 2.832 10 70 EFIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(=O)Nc1ccccc1 ZINC000159738515 473056668 /nfs/dbraw/zinc/05/66/68/473056668.db2.gz OPPOCFDVSBJYFU-UHFFFAOYSA-N 1 0 346.456 2.744 10 70 EFIERO CC(C)Cn1ncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C1CC1 ZINC000159738514 473057022 /nfs/dbraw/zinc/05/70/22/473057022.db2.gz YERCJRCMMCPHOE-YOEHRIQHSA-N 1 0 332.492 2.875 10 70 EFIERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000159782235 473061057 /nfs/dbraw/zinc/06/10/57/473061057.db2.gz GJMFHJMIHPWQAG-WMZOPIPTSA-N 1 0 347.503 2.943 10 70 EFIERO CC(C)N(CCc1nccs1)Cc1nc2ccccc2c(=O)n1C ZINC000159851436 473065735 /nfs/dbraw/zinc/06/57/35/473065735.db2.gz CSFXKSHYMABNCI-UHFFFAOYSA-N 1 0 342.468 2.843 10 70 EFIERO CC(C)N(CCc1nccs1)CC(=O)N1CCc2ccccc21 ZINC000159846600 473066598 /nfs/dbraw/zinc/06/65/98/473066598.db2.gz QMESGMXNZOFPDT-UHFFFAOYSA-N 1 0 329.469 2.985 10 70 EFIERO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159861539 473067348 /nfs/dbraw/zinc/06/73/48/473067348.db2.gz DRTPQBAOJLWNPV-KXBFYZLASA-N 1 0 347.422 2.723 10 70 EFIERO CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000159878372 473068398 /nfs/dbraw/zinc/06/83/98/473068398.db2.gz PLKJGSLQRVVCED-CYBMUJFWSA-N 1 0 336.480 2.816 10 70 EFIERO O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159870569 473068893 /nfs/dbraw/zinc/06/88/93/473068893.db2.gz RJTUIZLGEBFUKQ-UHFFFAOYSA-N 1 0 342.418 2.820 10 70 EFIERO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000159924979 473072627 /nfs/dbraw/zinc/07/26/27/473072627.db2.gz CZZNZQZCRYKRMK-HZPDHXFCSA-N 1 0 343.475 2.952 10 70 EFIERO CC[C@@H]1CN(Cc2noc(C3CCCCC3)n2)CC[N@@H+]1CCOC ZINC000159927351 473073028 /nfs/dbraw/zinc/07/30/28/473073028.db2.gz GIEIPVRCFXTBLU-MRXNPFEDSA-N 1 0 336.480 2.660 10 70 EFIERO CN(CC(=O)Nc1nc(C(F)(F)F)cs1)[C@H]1CCSC1 ZINC000159933281 473073536 /nfs/dbraw/zinc/07/35/36/473073536.db2.gz RBWLWGSLVWDTAB-ZETCQYMHSA-N 1 0 325.381 2.538 10 70 EFIERO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000160035584 473083221 /nfs/dbraw/zinc/08/32/21/473083221.db2.gz GQFDKUYOEDUAAL-MRXNPFEDSA-N 1 0 335.492 2.828 10 70 EFIERO CN(C(=O)c1ccccc1OCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000160104045 473087354 /nfs/dbraw/zinc/08/73/54/473087354.db2.gz VFPVGICKWNQDAB-UHFFFAOYSA-N 1 0 342.395 2.632 10 70 EFIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000160290271 473104986 /nfs/dbraw/zinc/10/49/86/473104986.db2.gz JJLMLWSGWNOEDG-YLJYHZDGSA-N 1 0 336.520 2.898 10 70 EFIERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(Cl)cccc1OC ZINC000160333627 473110328 /nfs/dbraw/zinc/11/03/28/473110328.db2.gz ABQMEAWKTBOPAD-UONOGXRCSA-N 1 0 336.863 2.976 10 70 EFIERO COCCCOc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160404951 473117831 /nfs/dbraw/zinc/11/78/31/473117831.db2.gz DXSKQDHYRFELFQ-GOSISDBHSA-N 1 0 348.487 2.952 10 70 EFIERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160440664 473125876 /nfs/dbraw/zinc/12/58/76/473125876.db2.gz JDGBVZRHDTUZED-KRWDZBQOSA-N 1 0 347.507 2.574 10 70 EFIERO CCC([NH3+])(CC)CNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000160471904 473130163 /nfs/dbraw/zinc/13/01/63/473130163.db2.gz CAUCFKBFBQTHCR-UHFFFAOYSA-N 1 0 348.472 2.918 10 70 EFIERO CCCC[N@H+](C)CC1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160493456 473132716 /nfs/dbraw/zinc/13/27/16/473132716.db2.gz MRTYSUAIMLYLHY-UHFFFAOYSA-N 1 0 343.475 2.552 10 70 EFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2nccnc21 ZINC000160516698 473137227 /nfs/dbraw/zinc/13/72/27/473137227.db2.gz XIZPIFSRGDCVJL-CQSZACIVSA-N 1 0 330.407 2.619 10 70 EFIERO CCC(C)(C)c1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000160590587 473147373 /nfs/dbraw/zinc/14/73/73/473147373.db2.gz ZECZROONLRDPHU-UHFFFAOYSA-N 1 0 332.488 2.903 10 70 EFIERO CC[N@@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000160612145 473150158 /nfs/dbraw/zinc/15/01/58/473150158.db2.gz DTVOJEPOTMUKBX-AEFFLSMTSA-N 1 0 337.552 2.933 10 70 EFIERO O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160609775 473150542 /nfs/dbraw/zinc/15/05/42/473150542.db2.gz UZEWJRKCRQSJSW-OKILXGFUSA-N 1 0 330.819 2.697 10 70 EFIERO CCC[C@H](C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)[NH+](C)C ZINC000160658029 473157461 /nfs/dbraw/zinc/15/74/61/473157461.db2.gz XDZWIPGKHKRFBE-MRXNPFEDSA-N 1 0 335.448 2.990 10 70 EFIERO O=C(c1occc1COc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160700994 473163895 /nfs/dbraw/zinc/16/38/95/473163895.db2.gz OJDZUVHKEPEBGU-IYBDPMFKSA-N 1 0 326.396 2.825 10 70 EFIERO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160708077 473164676 /nfs/dbraw/zinc/16/46/76/473164676.db2.gz UVQFARYUCMVHPH-IYBDPMFKSA-N 1 0 342.418 2.595 10 70 EFIERO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160736711 473168125 /nfs/dbraw/zinc/16/81/25/473168125.db2.gz TXUXKQJTBHTEGY-MOPGFXCFSA-N 1 0 334.504 2.774 10 70 EFIERO COc1cccc(Cl)c1CC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000160796092 473176640 /nfs/dbraw/zinc/17/66/40/473176640.db2.gz PNWWCNKLWXORSG-ZDUSSCGKSA-N 1 0 345.830 2.681 10 70 EFIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160880561 473187232 /nfs/dbraw/zinc/18/72/32/473187232.db2.gz ZOGYVLVVWNCIDN-QZTJIDSGSA-N 1 0 335.536 2.830 10 70 EFIERO O=C(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)Nc1ccc(F)cc1 ZINC000160908183 473189909 /nfs/dbraw/zinc/18/99/09/473189909.db2.gz INPIVAVXKCNVIL-HNNXBMFYSA-N 1 0 342.418 2.983 10 70 EFIERO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)[C@@H](C)C1CCCCC1 ZINC000160992599 473197602 /nfs/dbraw/zinc/19/76/02/473197602.db2.gz RDVHATVSVLGCJR-HUUCEWRRSA-N 1 0 345.487 2.596 10 70 EFIERO COC(=O)c1cc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)oc1C ZINC000161044708 473202013 /nfs/dbraw/zinc/20/20/13/473202013.db2.gz FRUURHROKQAPQS-CYBMUJFWSA-N 1 0 333.388 2.521 10 70 EFIERO Cc1cc(N2CC[C@H](SCC[NH+](C(C)C)C(C)C)C2=O)n(C)n1 ZINC000161056685 473202526 /nfs/dbraw/zinc/20/25/26/473202526.db2.gz BKVYOGAVIYDDCS-HNNXBMFYSA-N 1 0 338.521 2.686 10 70 EFIERO CC[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CCOC1 ZINC000161074360 473204361 /nfs/dbraw/zinc/20/43/61/473204361.db2.gz JCHMYIXTTZYXIF-RBUKOAKNSA-N 1 0 326.440 2.801 10 70 EFIERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159483890 533846410 /nfs/dbraw/zinc/84/64/10/533846410.db2.gz CMUNDDBPFLKUHP-AWEZNQCLSA-N 1 0 344.459 2.634 10 70 EFIERO O=C(NCCc1cc(F)ccc1F)C1(c2ccccc2)CC[NH2+]CC1 ZINC000159668588 526399493 /nfs/dbraw/zinc/39/94/93/526399493.db2.gz YJNYIXUGEUGCRL-UHFFFAOYSA-N 1 0 344.405 2.945 10 70 EFIERO CC1CC[NH+](CCNC(=O)N2CCO[C@H](c3ccsc3)C2)CC1 ZINC000160273595 528245809 /nfs/dbraw/zinc/24/58/09/528245809.db2.gz DVPKRSAFUZLOKW-INIZCTEOSA-N 1 0 337.489 2.563 10 70 EFIERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000161293232 528650694 /nfs/dbraw/zinc/65/06/94/528650694.db2.gz NVWJASJJGHGWEB-HNNXBMFYSA-N 1 0 333.476 2.545 10 70 EFIERO CCC[C@@H](C(=O)NCc1c(C)nn(-c2ccccc2)c1C)[NH+](C)C ZINC000161278027 528844226 /nfs/dbraw/zinc/84/42/26/528844226.db2.gz YOUSQZQKQGIOSA-SFHVURJKSA-N 1 0 328.460 2.836 10 70 EFIERO CC[N@@H+]1CCCN(C(=O)NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000159932723 529027045 /nfs/dbraw/zinc/02/70/45/529027045.db2.gz DMHGOWAXOVXAOO-UHFFFAOYSA-N 1 0 338.455 2.986 10 70 EFIERO